#################################################################### # DELTA # # Database for Extended Ligand-Target Analyses # # 2025 # #################################################################### @MOLECULE 3ARA_min 1950 1970 125 0 0 SMALL USER_CHARGES File created by VEGA ZZ 3.2.4 @ATOM 1 N 18.1130 1.6090 1.8300 N.4 1 MET24 -0.0641 2 H1 17.8364 0.6239 1.6300 H 1 MET24 0.2750 3 H2 19.0463 1.6094 2.2897 H 1 MET24 0.2750 4 H3 18.1541 2.1280 0.9290 H 1 MET24 0.2750 5 CA 17.0820 2.2390 2.7470 C.3 1 MET24 0.1937 6 HA 16.1405 2.2490 2.1940 H 1 MET24 0.0690 7 C 17.3760 3.6940 3.0680 C.2 1 MET24 0.2315 8 O 16.9980 4.2920 4.1500 O.2 1 MET24 -0.2773 9 CB 16.8605 1.4278 4.0384 C.3 1 MET24 -0.0075 10 HB1 15.9446 1.7774 4.5195 H 1 MET24 0.0297 11 HB2 17.6617 1.6078 4.7579 H 1 MET24 0.0297 12 CG 16.7468 -0.0850 3.7897 C.3 1 MET24 -0.0042 13 HG1 16.1686 -0.5646 4.5819 H 1 MET24 0.0377 14 HG2 17.7298 -0.5562 3.8268 H 1 MET24 0.0377 15 SD 16.0137 -0.4593 2.1835 S.3 1 MET24 -0.1641 16 CE 14.2692 -0.3944 2.6334 C.3 1 MET24 -0.0181 17 HE1 13.6437 -0.5190 1.7487 H 1 MET24 0.0340 18 HE2 14.0334 0.5632 3.0974 H 1 MET24 0.0340 19 HE3 14.0352 -1.1788 3.3536 H 1 MET24 0.0340 20 N 18.1190 4.2660 2.1370 N.am 2 GLN25 -0.2452 21 H 18.7130 3.7050 1.5270 H 2 GLN25 0.1312 22 CA 18.0720 5.6760 2.0050 C.3 2 GLN25 0.0882 23 HA 17.5403 6.1579 2.8303 H 2 GLN25 0.0557 24 C 17.3010 5.9060 0.6760 C.2 2 GLN25 0.2187 25 O 17.3810 5.1050 -0.2280 O.2 2 GLN25 -0.2778 26 CB 19.5159 6.1981 1.8991 C.3 2 GLN25 -0.0210 27 HB1 20.0203 5.6906 1.0744 H 2 GLN25 0.0289 28 HB2 20.0557 5.9126 2.8036 H 2 GLN25 0.0289 29 CG 19.6291 7.7223 1.7111 C.3 2 GLN25 0.0225 30 HG1 19.1812 8.2512 2.5532 H 2 GLN25 0.0356 31 HG2 19.1129 8.0480 0.8097 H 2 GLN25 0.0356 32 CD 21.1025 8.1271 1.5637 C.2 2 GLN25 0.1981 33 OE1 21.8265 7.6010 0.7280 O.2 2 GLN25 -0.2798 34 NE2 21.5005 9.0817 2.4174 N.am 2 GLN25 -0.2724 35 HE21 22.4496 9.3954 2.4047 H 2 GLN25 0.1266 36 HE22 20.8729 9.4942 3.0775 H 2 GLN25 0.1266 37 N 16.5890 7.0190 0.6080 N.am 3 LEU26 -0.2456 38 H 16.3850 7.5080 1.4800 H 3 LEU26 0.1312 39 CA 16.0700 7.6010 -0.6450 C.3 3 LEU26 0.0880 40 HA 16.0120 6.8138 -1.3995 H 3 LEU26 0.0557 41 C 17.0790 8.6520 -1.0790 C.2 3 LEU26 0.2187 42 O 17.2810 9.6590 -0.4190 O.2 3 LEU26 -0.2778 43 CB 14.6826 8.2150 -0.3884 C.3 3 LEU26 -0.0266 44 HB1 14.0104 7.4318 -0.0364 H 3 LEU26 0.0287 45 HB2 14.7566 8.9345 0.4285 H 3 LEU26 0.0287 46 CG 14.0490 8.9089 -1.6111 C.3 3 LEU26 -0.0449 47 HG 14.7167 9.7032 -1.9481 H 3 LEU26 0.0296 48 CD1 13.8439 7.9391 -2.7828 C.3 3 LEU26 -0.0626 49 HD11 13.3264 8.4248 -3.6109 H 3 LEU26 0.0232 50 HD12 13.2505 7.0777 -2.4772 H 3 LEU26 0.0232 51 HD13 14.7949 7.5752 -3.1682 H 3 LEU26 0.0232 52 CD2 12.7203 9.5717 -1.2252 C.3 3 LEU26 -0.0626 53 HD21 12.2977 10.1133 -2.0710 H 3 LEU26 0.0232 54 HD22 12.8571 10.2869 -0.4136 H 3 LEU26 0.0232 55 HD23 11.9865 8.8328 -0.9015 H 3 LEU26 0.0232 56 N 17.7210 8.4670 -2.1890 N.am 4 ARG27 -0.2457 57 H 17.5900 7.6200 -2.7430 H 4 ARG27 0.1312 58 CA 18.6420 9.5220 -2.6170 C.3 4 ARG27 0.0879 59 HA 18.8927 10.2181 -1.8138 H 4 ARG27 0.0557 60 C 17.9400 10.3340 -3.7390 C.2 4 ARG27 0.2187 61 O 17.1260 9.7990 -4.5300 O.2 4 ARG27 -0.2778 62 CB 19.9492 8.9097 -3.1407 C.3 4 ARG27 -0.0258 63 HB1 20.5228 9.6861 -3.6482 H 4 ARG27 0.0286 64 HB2 19.7364 8.1477 -3.8907 H 4 ARG27 0.0286 65 CG 20.7983 8.3155 -2.0071 C.3 4 ARG27 -0.0154 66 HG1 20.2973 7.4347 -1.6036 H 4 ARG27 0.0299 67 HG2 20.8558 9.0326 -1.1876 H 4 ARG27 0.0299 68 CD 22.2250 7.9458 -2.4368 C.3 4 ARG27 0.1045 69 HD1 22.7448 7.4371 -1.6210 H 4 ARG27 0.0711 70 HD2 22.2146 7.2912 -3.3119 H 4 ARG27 0.0711 71 NE 22.9734 9.1605 -2.7691 N.pl3 4 ARG27 -0.4450 72 HE 22.4932 10.0366 -2.7624 H 4 ARG27 0.3153 73 CZ 24.2666 9.1847 -3.0797 C.cat 4 ARG27 0.5062 74 NH1 24.9814 8.0910 -3.1017 N.pl3 4 ARG27 -0.4573 75 HH11 25.9484 8.1202 -3.3435 H 4 ARG27 0.3114 76 HH12 24.5532 7.2215 -2.8728 H 4 ARG27 0.3114 77 NH2 24.8342 10.3250 -3.3683 N.pl3 4 ARG27 -0.4573 78 HH21 24.2989 11.1666 -3.3561 H 4 ARG27 0.3114 79 HH22 25.8031 10.3606 -3.6014 H 4 ARG27 0.3114 80 N 18.3600 11.5610 -3.9050 N.am 5 PHE28 -0.2453 81 H 19.0300 11.9620 -3.2490 H 5 PHE28 0.1312 82 CA 17.8610 12.3770 -5.0530 C.3 5 PHE28 0.0917 83 HA 17.6970 11.6916 -5.8833 H 5 PHE28 0.0560 84 C 18.9440 13.3190 -5.4850 C.2 5 PHE28 0.2190 85 O 19.8450 13.6470 -4.6730 O.2 5 PHE28 -0.2778 86 CB 16.5476 13.1070 -4.6912 C.3 5 PHE28 -0.0036 87 HB1 15.8800 12.4321 -4.1549 H 5 PHE28 0.0333 88 HB2 16.0190 13.3899 -5.6017 H 5 PHE28 0.0333 89 CG 16.7685 14.3498 -3.8675 C.ar 5 PHE28 -0.0454 90 CD1 16.7681 15.6023 -4.4778 C.ar 5 PHE28 -0.0585 91 HD1 16.5624 15.6892 -5.5352 H 5 PHE28 0.0620 92 CD2 17.0397 14.2596 -2.5065 C.ar 5 PHE28 -0.0585 93 HD2 17.0402 13.2956 -2.0184 H 5 PHE28 0.0620 94 CE1 17.0736 16.7416 -3.7476 C.ar 5 PHE28 -0.0615 95 HE1 17.0802 17.7063 -4.2324 H 5 PHE28 0.0618 96 CE2 17.3471 15.3980 -1.7738 C.ar 5 PHE28 -0.0615 97 HE2 17.5708 15.3178 -0.7200 H 5 PHE28 0.0618 98 CZ 17.3792 16.6371 -2.3983 C.ar 5 PHE28 -0.0617 99 HZ 17.6368 17.5177 -1.8306 H 5 PHE28 0.0618 100 N 18.8320 13.8140 -6.6930 N.am 6 ALA29 -0.2459 101 H 18.1520 13.4140 -7.3400 H 6 ALA29 0.1312 102 CA 19.6690 14.9320 -7.1250 C.3 6 ALA29 0.0850 103 HA 20.1522 15.3899 -6.2592 H 6 ALA29 0.0554 104 C 18.7900 15.9870 -7.7870 C.2 6 ALA29 0.2184 105 O 17.7810 15.6600 -8.4530 O.2 6 ALA29 -0.2778 106 CB 20.7190 14.4170 -8.1165 C.3 6 ALA29 -0.0411 107 HB1 21.3684 15.2221 -8.4623 H 6 ALA29 0.0249 108 HB2 20.2527 13.9653 -8.9925 H 6 ALA29 0.0249 109 HB3 21.3499 13.6598 -7.6513 H 6 ALA29 0.0249 110 N 19.2290 17.2330 -7.6680 N.am 7 ARG30 -0.2457 111 H 20.0500 17.4260 -7.0950 H 7 ARG30 0.1312 112 CA 18.5510 18.3300 -8.3470 C.3 7 ARG30 0.0879 113 HA 17.4796 18.1153 -8.3405 H 7 ARG30 0.0557 114 C 18.9950 18.4020 -9.8050 C.2 7 ARG30 0.2187 115 O 20.2070 18.3920 -10.1640 O.2 7 ARG30 -0.2778 116 CB 18.7791 19.6661 -7.6223 C.3 7 ARG30 -0.0258 117 HB1 18.3608 20.4710 -8.2281 H 7 ARG30 0.0286 118 HB2 19.8480 19.8700 -7.5470 H 7 ARG30 0.0286 119 CG 18.1195 19.7112 -6.2305 C.3 7 ARG30 -0.0154 120 HG1 18.6371 19.0268 -5.5583 H 7 ARG30 0.0299 121 HG2 17.0926 19.3507 -6.3031 H 7 ARG30 0.0299 122 CD 18.0986 21.1217 -5.6215 C.3 7 ARG30 0.1045 123 HD1 17.6531 21.1234 -4.6248 H 7 ARG30 0.0711 124 HD2 17.5097 21.7926 -6.2521 H 7 ARG30 0.0711 125 NE 19.4729 21.6076 -5.4957 N.pl3 7 ARG30 -0.4450 126 HE 20.2068 21.0428 -5.1310 H 7 ARG30 0.3153 127 CZ 19.8945 22.8082 -5.8836 C.cat 7 ARG30 0.5062 128 NH1 21.1647 23.0727 -5.8712 N.pl3 7 ARG30 -0.4573 129 HH11 21.4260 23.9248 -6.3583 H 7 ARG30 0.3114 130 HH12 21.8642 22.5055 -5.4625 H 7 ARG30 0.3114 131 NH2 19.0853 23.7401 -6.2895 N.pl3 7 ARG30 -0.4573 132 HH21 19.5358 24.5818 -6.6167 H 7 ARG30 0.3114 133 HH22 18.0957 23.6554 -6.2981 H 7 ARG30 0.3114 134 N 18.0360 18.4370 -10.7230 N.am 8 LEU31 -0.2456 135 H 17.0560 18.3970 -10.4430 H 8 LEU31 0.1312 136 CA 18.3970 18.5340 -12.1510 C.3 8 LEU31 0.0880 137 HA 19.3428 18.0215 -12.3321 H 8 LEU31 0.0557 138 C 18.5350 19.9690 -12.6080 C.2 8 LEU31 0.2187 139 O 18.9810 20.2180 -13.7370 O.2 8 LEU31 -0.2778 140 CB 17.2635 17.8550 -12.9457 C.3 8 LEU31 -0.0266 141 HB1 16.3334 18.3979 -12.7672 H 8 LEU31 0.0287 142 HB2 17.4567 17.9371 -14.0165 H 8 LEU31 0.0287 143 CG 17.0470 16.3709 -12.5867 C.3 8 LEU31 -0.0449 144 HG 16.9192 16.2729 -11.5080 H 8 LEU31 0.0296 145 CD1 15.7644 15.8308 -13.2274 C.3 8 LEU31 -0.0626 146 HD11 15.6242 14.7803 -12.9716 H 8 LEU31 0.0232 147 HD12 15.7975 15.9103 -14.3141 H 8 LEU31 0.0232 148 HD13 14.8885 16.3753 -12.8760 H 8 LEU31 0.0232 149 CD2 18.2465 15.5122 -13.0019 C.3 8 LEU31 -0.0626 150 HD21 18.0308 14.4553 -12.8558 H 8 LEU31 0.0232 151 HD22 19.1329 15.7539 -12.4160 H 8 LEU31 0.0232 152 HD23 18.4877 15.6538 -14.0553 H 8 LEU31 0.0232 153 N 18.0460 20.9090 -11.7880 N.am 9 SER32 -0.2436 154 H 17.5220 20.6230 -10.9610 H 9 SER32 0.1312 155 CA 18.2430 22.3260 -12.0470 C.3 9 SER32 0.1109 156 HA 19.2511 22.4645 -12.4417 H 9 SER32 0.0580 157 C 18.1470 23.0220 -10.7020 C.2 9 SER32 0.2209 158 O 17.6920 22.4230 -9.7120 O.2 9 SER32 -0.2777 159 CB 17.1709 22.8315 -13.0288 C.3 9 SER32 0.0681 160 HB1 17.3910 23.8637 -13.3124 H 9 SER32 0.0577 161 HB2 17.2276 22.2254 -13.9418 H 9 SER32 0.0577 162 OG 15.8708 22.7826 -12.4458 O.3 9 SER32 -0.3930 163 HG 15.1839 22.7759 -13.1105 H 9 SER32 0.2095 164 N 18.5420 24.2960 -10.6710 N.am 10 GLU33 -0.2456 165 H 18.9200 24.7360 -11.5100 H 10 GLU33 0.1312 166 CA 18.4290 25.0680 -9.4140 C.3 10 GLU33 0.0883 167 HA 18.7820 24.4043 -8.6327 H 10 GLU33 0.0557 168 C 16.9900 25.4270 -9.0270 C.2 10 GLU33 0.2187 169 O 16.7650 25.9970 -7.9670 O.2 10 GLU33 -0.2778 170 CB 19.3247 26.3208 -9.4590 C.3 10 GLU33 -0.0193 171 HB1 19.0997 26.9670 -8.6086 H 10 GLU33 0.0290 172 HB2 19.0976 26.9064 -10.3498 H 10 GLU33 0.0290 173 CG 20.8288 25.9956 -9.4150 C.3 10 GLU33 0.0356 174 HG1 21.1316 25.4501 -10.3087 H 10 GLU33 0.0374 175 HG2 21.4199 26.9096 -9.3783 H 10 GLU33 0.0374 176 CD 21.1680 25.1530 -8.1754 C.2 10 GLU33 0.1760 177 OE1 20.9527 25.6009 -7.0536 O.co2 10 GLU33 -0.6478 178 OE2 21.6316 24.0313 -8.3209 O.co2 10 GLU33 -0.6478 179 N 16.0030 25.1420 -9.9110 N.am 11 HIS34 -0.2453 180 H 16.2470 24.7360 -10.8140 H 11 HIS34 0.1312 181 CA 14.6020 25.4010 -9.6050 C.3 11 HIS34 0.0932 182 HA 14.5360 26.3781 -9.1228 H 11 HIS34 0.0561 183 C 14.0210 24.3330 -8.6300 C.2 11 HIS34 0.2190 184 O 12.9530 24.5810 -8.0810 O.2 11 HIS34 -0.2778 185 CB 13.7898 25.3982 -10.9052 C.3 11 HIS34 0.0146 186 HB1 12.7376 25.5688 -10.6906 H 11 HIS34 0.0348 187 HB2 13.8667 24.4372 -11.4132 H 11 HIS34 0.0348 188 CG 14.2729 26.4939 -11.8268 C.ar 11 HIS34 0.0551 189 ND1 13.8877 27.7846 -11.7311 N.ar 11 HIS34 -0.2469 190 CD2 15.1622 26.3797 -12.9075 C.ar 11 HIS34 0.0047 191 HD2 15.6413 25.4723 -13.2409 H 11 HIS34 0.0764 192 CE1 14.5250 28.4346 -12.7187 C.ar 11 HIS34 0.0737 193 HE1 14.4220 29.4945 -12.9015 H 11 HIS34 0.0963 194 NE2 15.3014 27.6121 -13.4472 N.ar 11 HIS34 -0.2539 195 HE2 15.8565 27.8575 -14.2159 H 11 HIS34 0.1339 196 N 14.7030 23.1870 -8.4360 N.am 12 ALA35 -0.2459 197 H 15.6210 23.0850 -8.8690 H 12 ALA35 0.1312 198 CA 14.1670 22.0540 -7.6090 C.3 12 ALA35 0.0850 199 HA 13.1128 21.9270 -7.8660 H 12 ALA35 0.0554 200 C 14.3030 22.4010 -6.1840 C.2 12 ALA35 0.2185 201 O 15.1580 23.2350 -5.7820 O.2 12 ALA35 -0.2778 202 CB 14.9720 20.8098 -7.9644 C.3 12 ALA35 -0.0411 203 HB1 14.6851 19.9662 -7.3440 H 12 ALA35 0.0249 204 HB2 16.0420 20.9752 -7.8482 H 12 ALA35 0.0249 205 HB3 14.7917 20.5529 -9.0052 H 12 ALA35 0.0249 206 N 13.4230 21.7980 -5.4090 N.am 13 THR36 -0.2434 207 H 12.6920 21.2350 -5.8440 H 13 THR36 0.1313 208 CA 13.4520 21.9050 -3.9330 C.3 13 THR36 0.1135 209 HA 14.3330 22.4830 -3.6485 H 13 THR36 0.0583 210 C 13.5900 20.5170 -3.3490 C.2 13 THR36 0.2212 211 O 12.9150 19.5520 -3.7760 O.2 13 THR36 -0.2777 212 CB 12.2015 22.6282 -3.4081 C.3 13 THR36 0.0763 213 HB 11.3304 22.0542 -3.7274 H 13 THR36 0.0611 214 OG1 12.1722 23.9127 -4.0048 O.3 13 THR36 -0.3900 215 HG1 11.3652 24.3749 -3.8000 H 13 THR36 0.2098 216 CG2 12.2082 22.7729 -1.8754 C.3 13 THR36 -0.0370 217 HG21 11.3553 23.3470 -1.5165 H 13 THR36 0.0255 218 HG22 13.1104 23.2837 -1.5388 H 13 THR36 0.0255 219 HG23 12.1700 21.8012 -1.3829 H 13 THR36 0.0255 220 N 14.5340 20.3910 -2.3630 N.am 14 ALA37 -0.2458 221 H 15.0940 21.1910 -2.0690 H 14 ALA37 0.1312 222 CA 14.7160 19.0900 -1.7480 C.3 14 ALA37 0.0852 223 HA 15.0635 18.4251 -2.5321 H 14 ALA37 0.0554 224 C 13.4100 18.6240 -1.0810 C.2 14 ALA37 0.2211 225 O 12.7650 19.3460 -0.2990 O.2 14 ALA37 -0.2776 226 CB 15.7968 19.2233 -0.6695 C.3 14 ALA37 -0.0411 227 HB1 15.9917 18.2662 -0.1841 H 14 ALA37 0.0249 228 HB2 15.5024 19.9340 0.1039 H 14 ALA37 0.0249 229 HB3 16.7336 19.5768 -1.0995 H 14 ALA37 0.0249 230 N 13.0050 17.3910 -1.3930 N.am 15 PRO38 -0.2316 231 CA 11.7830 16.8930 -0.7340 C.3 15 PRO38 0.0907 232 HA 10.9552 17.5324 -1.0368 H 15 PRO38 0.0559 233 C 11.9550 16.8450 0.8030 C.2 15 PRO38 0.2190 234 O 13.0530 16.6470 1.2800 O.2 15 PRO38 -0.2778 235 CB 11.6401 15.4691 -1.2966 C.3 15 PRO38 -0.0276 236 HB1 10.6002 15.1866 -1.4597 H 15 PRO38 0.0285 237 HB2 12.0750 14.7302 -0.6210 H 15 PRO38 0.0285 238 CG 12.4474 15.4665 -2.5901 C.3 15 PRO38 -0.0379 239 HG1 11.8065 15.8295 -3.3940 H 15 PRO38 0.0278 240 HG2 12.8045 14.4751 -2.8701 H 15 PRO38 0.0278 241 CD 13.5839 16.4634 -2.3602 C.3 15 PRO38 0.0071 242 HD1 14.4599 16.0088 -1.8978 H 15 PRO38 0.0431 243 HD2 13.8392 16.9744 -3.2888 H 15 PRO38 0.0431 244 N 10.8630 17.0070 1.4880 N.am 16 THR39 -0.2434 245 H 9.9780 17.0680 0.9850 H 16 THR39 0.1313 246 CA 10.8450 17.1060 2.9410 C.3 16 THR39 0.1135 247 HA 11.7974 16.7215 3.3139 H 16 THR39 0.0583 248 C 9.7450 16.2130 3.5210 C.2 16 THR39 0.2212 249 O 8.6800 16.0270 2.9320 O.2 16 THR39 -0.2777 250 CB 10.6806 18.5678 3.4096 C.3 16 THR39 0.0763 251 HB 10.7256 18.5664 4.5043 H 16 THR39 0.0611 252 OG1 9.4113 19.0653 3.0136 O.3 16 THR39 -0.3900 253 HG1 9.3567 20.0007 3.1719 H 16 THR39 0.2098 254 CG2 11.8240 19.4573 2.8921 C.3 16 THR39 -0.0370 255 HG21 11.8328 20.4335 3.3773 H 16 THR39 0.0255 256 HG22 11.7360 19.6234 1.8212 H 16 THR39 0.0255 257 HG23 12.7944 18.9958 3.0771 H 16 THR39 0.0255 258 N 9.9740 15.8970 4.6730 N.am 17 ARG40 -0.2456 259 H 10.8450 16.1990 5.1080 H 17 ARG40 0.1312 260 CA 9.0330 15.0960 5.4480 C.3 17 ARG40 0.0879 261 HA 8.0161 15.2542 5.0774 H 17 ARG40 0.0557 262 C 9.1070 15.7250 6.8400 C.2 17 ARG40 0.2185 263 O 10.1160 15.5510 7.5450 O.2 17 ARG40 -0.2778 264 CB 9.3780 13.6006 5.3908 C.3 17 ARG40 -0.0258 265 HB1 9.1475 13.2403 4.3878 H 17 ARG40 0.0286 266 HB2 10.4476 13.4506 5.5390 H 17 ARG40 0.0286 267 CG 8.5917 12.7879 6.4265 C.3 17 ARG40 -0.0154 268 HG1 7.6265 13.2636 6.6017 H 17 ARG40 0.0299 269 HG2 9.1315 12.8377 7.3710 H 17 ARG40 0.0299 270 CD 8.3389 11.3261 6.0391 C.3 17 ARG40 0.1045 271 HD1 7.7487 11.2617 5.1205 H 17 ARG40 0.0711 272 HD2 7.7921 10.8257 6.8427 H 17 ARG40 0.0711 273 NE 9.6017 10.6182 5.8344 N.pl3 17 ARG40 -0.4450 274 HE 10.4603 11.1266 5.8700 H 17 ARG40 0.3153 275 CZ 9.6711 9.3122 5.6013 C.cat 17 ARG40 0.5062 276 NH1 8.5987 8.5762 5.5101 N.pl3 17 ARG40 -0.4573 277 HH11 7.7026 9.0012 5.6402 H 17 ARG40 0.3114 278 HH12 8.6539 7.6030 5.3115 H 17 ARG40 0.3114 279 NH2 10.8364 8.7472 5.4572 N.pl3 17 ARG40 -0.4573 280 HH21 11.6603 9.3151 5.4490 H 17 ARG40 0.3114 281 HH22 10.9104 7.7615 5.3484 H 17 ARG40 0.3114 282 N 8.1660 16.4300 7.2640 N.am 18 GLY41 -0.2485 283 H 7.4520 16.7310 6.6010 H 18 GLY41 0.1309 284 CA 8.0300 16.8560 8.6910 C.3 18 GLY41 0.0765 285 HA1 7.0916 17.4023 8.7804 H 18 GLY41 0.0521 286 HA2 8.8526 17.5368 8.9145 H 18 GLY41 0.0521 287 C 8.0470 15.7000 9.6850 C.2 18 GLY41 0.2156 288 O 9.0450 15.5310 10.4410 O.2 18 GLY41 -0.2781 289 N 7.0150 14.8720 9.7110 N.am 19 SER42 -0.2439 290 H 6.2640 14.9410 9.0250 H 19 SER42 0.1312 291 CA 6.9920 13.8620 10.7520 C.3 19 SER42 0.1109 292 HA 7.4060 14.2800 11.6732 H 19 SER42 0.0580 293 C 7.7710 12.6220 10.3750 C.2 19 SER42 0.2209 294 O 7.8080 12.1910 9.2000 O.2 19 SER42 -0.2777 295 CB 5.5304 13.4625 11.0151 C.3 19 SER42 0.0681 296 HB1 5.0588 13.1630 10.0742 H 19 SER42 0.0577 297 HB2 4.9913 14.3409 11.3891 H 19 SER42 0.0577 298 OG 5.4490 12.3883 11.9490 O.3 19 SER42 -0.3930 299 HG 4.5420 12.2067 12.1890 H 19 SER42 0.2095 300 N 8.3930 12.0120 11.3750 N.am 20 ALA43 -0.2459 301 H 8.3170 12.3940 12.3180 H 20 ALA43 0.1312 302 CA 9.1820 10.8080 11.1530 C.3 20 ALA43 0.0850 303 HA 9.9427 11.0540 10.4100 H 20 ALA43 0.0554 304 C 8.3160 9.6510 10.6090 C.2 20 ALA43 0.2184 305 O 8.8430 8.7410 9.9610 O.2 20 ALA43 -0.2778 306 CB 9.8451 10.4017 12.4734 C.3 20 ALA43 -0.0411 307 HB1 10.4721 11.2083 12.8543 H 20 ALA43 0.0249 308 HB2 10.4799 9.5243 12.3460 H 20 ALA43 0.0249 309 HB3 9.1019 10.1727 13.2380 H 20 ALA43 0.0249 310 N 7.0120 9.6660 10.9080 N.am 21 ARG44 -0.2457 311 H 6.5960 10.4280 11.4430 H 21 ARG44 0.1312 312 CA 6.2240 8.5590 10.4410 C.3 21 ARG44 0.0879 313 HA 6.8073 7.8028 9.9145 H 21 ARG44 0.0557 314 C 5.1490 9.0540 9.4700 C.2 21 ARG44 0.2187 315 O 4.1300 8.3860 9.3240 O.2 21 ARG44 -0.2778 316 CB 5.5373 7.9346 11.6749 C.3 21 ARG44 -0.0258 317 HB1 4.8291 7.1635 11.3704 H 21 ARG44 0.0286 318 HB2 4.9366 8.7062 12.1605 H 21 ARG44 0.0286 319 CG 6.5071 7.3559 12.7227 C.3 21 ARG44 -0.0154 320 HG1 5.9637 7.2076 13.6568 H 21 ARG44 0.0299 321 HG2 7.2887 8.0794 12.9562 H 21 ARG44 0.0299 322 CD 7.1445 6.0190 12.3195 C.3 21 ARG44 0.1045 323 HD1 7.6630 6.0977 11.3607 H 21 ARG44 0.0711 324 HD2 7.8642 5.7115 13.0829 H 21 ARG44 0.0711 325 NE 6.1078 4.9880 12.2097 N.pl3 21 ARG44 -0.4450 326 HE 5.1499 5.2740 12.2078 H 21 ARG44 0.3153 327 CZ 6.3463 3.6822 12.1150 C.cat 21 ARG44 0.5062 328 NH1 5.3414 2.8528 12.0188 N.pl3 21 ARG44 -0.4573 329 HH11 4.4048 3.1964 12.0174 H 21 ARG44 0.3114 330 HH12 5.5037 1.8713 11.9472 H 21 ARG44 0.3114 331 NH2 7.5651 3.2105 12.1164 N.pl3 21 ARG44 -0.4573 332 HH21 8.3354 3.8382 12.1931 H 21 ARG44 0.3114 333 HH22 7.7288 2.2294 12.0441 H 21 ARG44 0.3114 334 N 5.3910 10.1740 8.8100 N.am 22 ALA45 -0.2459 335 H 6.1490 10.8010 9.0790 H 22 ALA45 0.1312 336 CA 4.5050 10.4730 7.6600 C.3 22 ALA45 0.0850 337 HA 3.4653 10.3406 7.9692 H 22 ALA45 0.0554 338 C 4.8700 9.4510 6.5680 C.2 22 ALA45 0.2184 339 O 6.0380 9.0010 6.3600 O.2 22 ALA45 -0.2778 340 CB 4.7379 11.9054 7.1723 C.3 22 ALA45 -0.0411 341 HB1 4.4728 12.6259 7.9447 H 22 ALA45 0.0249 342 HB2 4.1305 12.1276 6.2939 H 22 ALA45 0.0249 343 HB3 5.7797 12.0703 6.9078 H 22 ALA45 0.0249 344 N 3.8630 9.1460 5.7670 N.am 23 ALA46 -0.2459 345 H 2.9660 9.6120 5.9060 H 23 ALA46 0.1312 346 CA 3.9870 8.1720 4.6960 C.3 23 ALA46 0.0850 347 HA 4.4316 7.2747 5.1293 H 23 ALA46 0.0554 348 C 4.8260 8.5850 3.5500 C.2 23 ALA46 0.2182 349 O 5.4110 7.7120 2.8640 O.2 23 ALA46 -0.2778 350 CB 2.5787 7.8371 4.1856 C.3 23 ALA46 -0.0411 351 HB1 1.9460 7.4803 4.9984 H 23 ALA46 0.0249 352 HB2 2.6030 7.0563 3.4233 H 23 ALA46 0.0249 353 HB3 2.0935 8.7119 3.7497 H 23 ALA46 0.0249 354 N 4.9340 9.8800 3.3280 N.am 24 GLY47 -0.2485 355 H 4.5840 10.5620 4.0010 H 24 GLY47 0.1309 356 CA 5.5760 10.3060 2.0770 C.3 24 GLY47 0.0765 357 HA1 4.7886 10.4769 1.3420 H 24 GLY47 0.0521 358 HA2 6.2447 9.5283 1.7089 H 24 GLY47 0.0521 359 C 6.3740 11.5690 2.2720 C.2 24 GLY47 0.2155 360 O 6.1790 12.3360 3.2660 O.2 24 GLY47 -0.2781 361 N 7.2890 11.7520 1.3540 N.am 25 TYR48 -0.2456 362 H 7.5020 10.9910 0.7090 H 25 TYR48 0.1312 363 CA 8.0230 13.0280 1.2240 C.3 25 TYR48 0.0917 364 HA 8.1336 13.4746 2.2142 H 25 TYR48 0.0560 365 C 7.2860 13.9830 0.3400 C.2 25 TYR48 0.2190 366 O 6.8290 13.6180 -0.7490 O.2 25 TYR48 -0.2778 367 CB 9.4013 12.7789 0.5859 C.3 25 TYR48 -0.0036 368 HB1 9.8495 13.7189 0.2581 H 25 TYR48 0.0333 369 HB2 9.3033 12.1608 -0.3079 H 25 TYR48 0.0333 370 CG 10.3551 12.1308 1.5477 C.ar 25 TYR48 -0.0453 371 CD1 11.1835 12.9164 2.3430 C.ar 25 TYR48 -0.0561 372 HD1 11.1536 13.9932 2.2554 H 25 TYR48 0.0621 373 CD2 10.4185 10.7465 1.6581 C.ar 25 TYR48 -0.0561 374 HD2 9.7882 10.1269 1.0353 H 25 TYR48 0.0621 375 CE1 12.0336 12.3293 3.2694 C.ar 25 TYR48 -0.0317 376 HE1 12.6517 12.9493 3.9019 H 25 TYR48 0.0643 377 CE2 11.2741 10.1573 2.5780 C.ar 25 TYR48 -0.0317 378 HE2 11.3078 9.0822 2.6663 H 25 TYR48 0.0643 379 CZ 12.0638 10.9494 3.4006 C.ar 25 TYR48 0.0726 380 OH 12.8412 10.3671 4.3818 O.3 25 TYR48 -0.3598 381 HH 13.5678 10.9475 4.5845 H 25 TYR48 0.2173 382 N 7.2000 15.2370 0.7550 N.am 26 ASP49 -0.2451 383 H 7.6050 15.5030 1.6530 H 26 ASP49 0.1312 384 CA 6.5260 16.2470 -0.0680 C.3 26 ASP49 0.0974 385 HA 5.5533 15.8464 -0.3614 H 26 ASP49 0.0563 386 C 7.3340 16.5370 -1.3330 C.2 26 ASP49 0.2192 387 O 8.5390 16.6490 -1.2670 O.2 26 ASP49 -0.2778 388 CB 6.3827 17.5640 0.7266 C.3 26 ASP49 0.0576 389 HB1 6.5110 18.4073 0.0509 H 26 ASP49 0.0394 390 HB2 7.1762 17.6505 1.4689 H 26 ASP49 0.0394 391 CG 5.0163 17.7992 1.4158 C.2 26 ASP49 0.1780 392 OD1 4.0004 17.2772 0.9803 O.co2 26 ASP49 -0.6478 393 OD2 4.9495 18.5392 2.3956 O.co2 26 ASP49 -0.6478 394 N 6.6750 16.5860 -2.4860 N.am 27 LEU50 -0.2456 395 H 5.6830 16.3490 -2.4900 H 27 LEU50 0.1312 396 CA 7.3030 16.9610 -3.7390 C.3 27 LEU50 0.0880 397 HA 8.3891 16.9001 -3.6522 H 27 LEU50 0.0557 398 C 6.8910 18.3790 -4.0320 C.2 27 LEU50 0.2187 399 O 5.7360 18.7280 -3.8930 O.2 27 LEU50 -0.2778 400 CB 6.7684 16.0413 -4.8523 C.3 27 LEU50 -0.0266 401 HB1 5.6791 16.1165 -4.8736 H 27 LEU50 0.0287 402 HB2 7.1104 16.3954 -5.8261 H 27 LEU50 0.0287 403 CG 7.1577 14.5596 -4.6966 C.3 27 LEU50 -0.0449 404 HG 6.9042 14.2289 -3.6879 H 27 LEU50 0.0296 405 CD1 6.3423 13.7006 -5.6722 C.3 27 LEU50 -0.0626 406 HD11 6.5958 12.6440 -5.5918 H 27 LEU50 0.0232 407 HD12 6.5116 14.0046 -6.7059 H 27 LEU50 0.0232 408 HD13 5.2772 13.7990 -5.4629 H 27 LEU50 0.0232 409 CD2 8.6639 14.3438 -4.9068 C.3 27 LEU50 -0.0626 410 HD21 9.2521 14.8766 -4.1597 H 27 LEU50 0.0232 411 HD22 8.9786 14.6905 -5.8918 H 27 LEU50 0.0232 412 HD23 8.9241 13.2884 -4.8300 H 27 LEU50 0.0232 413 N 7.8320 19.1610 -4.5690 N.am 28 TYR51 -0.2453 414 H 8.7360 18.7580 -4.8140 H 28 TYR51 0.1312 415 CA 7.5900 20.5980 -4.8160 C.3 28 TYR51 0.0917 416 HA 6.6246 20.9036 -4.4203 H 28 TYR51 0.0560 417 C 7.6780 20.8510 -6.3270 C.2 28 TYR51 0.2191 418 O 8.5420 20.3270 -7.0300 O.2 28 TYR51 -0.2778 419 CB 8.7585 21.3771 -4.1879 C.3 28 TYR51 -0.0036 420 HB1 8.7023 22.4293 -4.4758 H 28 TYR51 0.0333 421 HB2 9.6933 21.0019 -4.6061 H 28 TYR51 0.0333 422 CG 8.8552 21.2899 -2.6835 C.ar 28 TYR51 -0.0453 423 CD1 8.6125 22.4236 -1.9184 C.ar 28 TYR51 -0.0561 424 HD1 8.3099 23.3334 -2.4063 H 28 TYR51 0.0621 425 CD2 9.3269 20.1442 -2.0439 C.ar 28 TYR51 -0.0561 426 HD2 9.5798 19.2615 -2.6129 H 28 TYR51 0.0621 427 CE1 8.8207 22.4225 -0.5469 C.ar 28 TYR51 -0.0317 428 HE1 8.6582 23.3243 0.0229 H 28 TYR51 0.0643 429 CE2 9.5167 20.1318 -0.6681 C.ar 28 TYR51 -0.0317 430 HE2 9.8854 19.2454 -0.1753 H 28 TYR51 0.0643 431 CZ 9.2747 21.2740 0.0782 C.ar 28 TYR51 0.0726 432 OH 9.5258 21.2736 1.4333 O.3 28 TYR51 -0.3598 433 HH 10.0296 20.4914 1.6280 H 28 TYR51 0.2173 434 N 6.8350 21.7440 -6.8080 N.am 29 SER52 -0.2436 435 H 6.1190 22.1410 -6.1990 H 29 SER52 0.1312 436 CA 6.9150 22.1740 -8.2110 C.3 29 SER52 0.1109 437 HA 6.9746 21.2834 -8.8401 H 29 SER52 0.0580 438 C 8.1610 23.0360 -8.4010 C.2 29 SER52 0.2209 439 O 8.5120 23.8620 -7.5240 O.2 29 SER52 -0.2777 440 CB 5.6362 22.9635 -8.5118 C.3 29 SER52 0.0681 441 HB1 5.5323 23.8394 -7.8560 H 29 SER52 0.0577 442 HB2 4.7748 22.3329 -8.2880 H 29 SER52 0.0577 443 OG 5.5453 23.3189 -9.8791 O.3 29 SER52 -0.3930 444 HG 6.1238 24.0544 -10.0606 H 29 SER52 0.2095 445 N 8.8300 22.8300 -9.5180 N.am 30 ALA53 -0.2459 446 H 8.5420 22.0730 -10.1380 H 30 ALA53 0.1312 447 CA 9.9680 23.6550 -9.8870 C.3 30 ALA53 0.0850 448 HA 10.4475 24.0323 -8.9811 H 30 ALA53 0.0554 449 C 9.5320 24.8660 -10.7300 C.2 30 ALA53 0.2184 450 O 10.3830 25.7530 -10.9550 O.2 30 ALA53 -0.2778 451 CB 10.9644 22.7765 -10.6451 C.3 30 ALA53 -0.0411 452 HB1 11.8028 23.3495 -11.0387 H 30 ALA53 0.0249 453 HB2 10.4766 22.2699 -11.4745 H 30 ALA53 0.0249 454 HB3 11.3729 22.0094 -9.9897 H 30 ALA53 0.0249 455 N 8.2680 24.9510 -11.0510 N.am 31 TYR54 -0.2453 456 H 7.6080 24.3050 -10.6180 H 31 TYR54 0.1312 457 CA 7.7480 25.9650 -12.0350 C.3 31 TYR54 0.0917 458 HA 8.3942 26.8426 -11.9669 H 31 TYR54 0.0560 459 C 6.3650 26.4310 -11.6500 C.2 31 TYR54 0.2190 460 O 5.6230 25.7880 -10.8290 O.2 31 TYR54 -0.2778 461 CB 7.7954 25.3948 -13.4672 C.3 31 TYR54 -0.0036 462 HB1 7.3600 24.4006 -13.4809 H 31 TYR54 0.0333 463 HB2 7.2051 26.0059 -14.1522 H 31 TYR54 0.0333 464 CG 9.2035 25.3066 -13.9990 C.ar 31 TYR54 -0.0453 465 CD1 9.7706 26.3815 -14.6784 C.ar 31 TYR54 -0.0561 466 HD1 9.1888 27.2735 -14.8594 H 31 TYR54 0.0621 467 CD2 9.9769 24.1707 -13.7742 C.ar 31 TYR54 -0.0561 468 HD2 9.5598 23.3330 -13.2344 H 31 TYR54 0.0621 469 CE1 11.0901 26.3265 -15.1126 C.ar 31 TYR54 -0.0317 470 HE1 11.5283 27.1633 -15.6355 H 31 TYR54 0.0643 471 CE2 11.3110 24.1394 -14.1552 C.ar 31 TYR54 -0.0317 472 HE2 11.9317 23.2930 -13.9070 H 31 TYR54 0.0643 473 CZ 11.8632 25.2075 -14.8417 C.ar 31 TYR54 0.0726 474 OH 13.1781 25.1508 -15.2536 O.3 31 TYR54 -0.3598 475 HH 13.6420 24.5060 -14.7344 H 31 TYR54 0.2173 476 N 5.9880 27.5970 -12.1820 N.am 32 ASP55 -0.2451 477 H 6.6640 28.2030 -12.6480 H 32 ASP55 0.1312 478 CA 4.5680 27.9860 -12.0780 C.3 32 ASP55 0.0974 479 HA 4.2047 27.7307 -11.0817 H 32 ASP55 0.0563 480 C 3.7270 27.3070 -13.1410 C.2 32 ASP55 0.2192 481 O 4.1990 27.1060 -14.2990 O.2 32 ASP55 -0.2778 482 CB 4.3610 29.4978 -12.3564 C.3 32 ASP55 0.0576 483 HB1 3.2965 29.7286 -12.4204 H 32 ASP55 0.0394 484 HB2 4.8005 29.7723 -13.3154 H 32 ASP55 0.0394 485 CG 4.9523 30.4363 -11.2971 C.2 32 ASP55 0.1780 486 OD1 4.4607 31.5483 -11.0928 O.co2 32 ASP55 -0.6478 487 OD2 5.9207 30.0757 -10.6586 O.co2 32 ASP55 -0.6478 488 N 2.5480 26.7980 -12.7320 N.am 33 TYR56 -0.2453 489 H 2.3480 26.7630 -11.7320 H 33 TYR56 0.1312 490 CA 1.5040 26.2730 -13.7080 C.3 33 TYR56 0.0917 491 HA 1.7768 26.6214 -14.7062 H 33 TYR56 0.0560 492 C 0.1280 26.7980 -13.3840 C.2 33 TYR56 0.2191 493 O -0.2180 26.9170 -12.2350 O.2 33 TYR56 -0.2778 494 CB 1.4683 24.7300 -13.6718 C.3 33 TYR56 -0.0036 495 HB1 1.1397 24.3775 -12.6945 H 33 TYR56 0.0333 496 HB2 0.7330 24.3562 -14.3865 H 33 TYR56 0.0333 497 CG 2.7998 24.0947 -13.9820 C.ar 33 TYR56 -0.0453 498 CD1 3.1212 23.7190 -15.2842 C.ar 33 TYR56 -0.0561 499 HD1 2.4181 23.8933 -16.0859 H 33 TYR56 0.0621 500 CD2 3.7218 23.8529 -12.9670 C.ar 33 TYR56 -0.0561 501 HD2 3.5008 24.1349 -11.9471 H 33 TYR56 0.0621 502 CE1 4.3442 23.1207 -15.5683 C.ar 33 TYR56 -0.0317 503 HE1 4.5875 22.8316 -16.5797 H 33 TYR56 0.0643 504 CE2 4.9461 23.2665 -13.2535 C.ar 33 TYR56 -0.0317 505 HE2 5.6608 23.0943 -12.4640 H 33 TYR56 0.0643 506 CZ 5.2614 22.9001 -14.5522 C.ar 33 TYR56 0.0726 507 OH 6.4874 22.3235 -14.8224 O.3 33 TYR56 -0.3598 508 HH 7.0272 22.3687 -14.0434 H 33 TYR56 0.2173 509 N -0.6670 27.0740 -14.4130 N.am 34 THR57 -0.2434 510 H -0.3040 27.0770 -15.3660 H 34 THR57 0.1313 511 CA -2.0660 27.3720 -14.1500 C.3 34 THR57 0.1135 512 HA -2.2754 27.4035 -13.0793 H 34 THR57 0.0583 513 C -2.8590 26.2480 -14.7920 C.2 34 THR57 0.2212 514 O -2.6960 25.9630 -15.9800 O.2 34 THR57 -0.2777 515 CB -2.4509 28.7255 -14.7695 C.3 34 THR57 0.0763 516 HB -2.3223 28.6692 -15.8568 H 34 THR57 0.0611 517 OG1 -1.5369 29.6709 -14.2508 O.3 34 THR57 -0.3900 518 HG1 -1.7483 30.5566 -14.5265 H 34 THR57 0.2098 519 CG2 -3.9006 29.1185 -14.4246 C.3 34 THR57 -0.0370 520 HG21 -4.1838 30.0679 -14.8793 H 34 THR57 0.0255 521 HG22 -4.0311 29.2109 -13.3460 H 34 THR57 0.0255 522 HG23 -4.6095 28.3710 -14.7810 H 34 THR57 0.0255 523 N -3.6050 25.5670 -13.9430 N.am 35 ILE58 -0.2453 524 H -3.6170 25.8000 -12.9500 H 35 ILE58 0.1312 525 CA -4.4360 24.4390 -14.4820 C.3 35 ILE58 0.0906 526 HA -4.0568 24.1379 -15.4560 H 35 ILE58 0.0560 527 C -5.9230 24.8470 -14.5310 C.2 35 ILE58 0.2216 528 O -6.5530 24.9930 -13.4950 O.2 35 ILE58 -0.2776 529 CB -4.2712 23.1876 -13.5803 C.3 35 ILE58 -0.0201 530 HB -4.7537 23.3798 -12.6205 H 35 ILE58 0.0318 531 CG1 -2.7832 22.8932 -13.2877 C.3 35 ILE58 -0.0514 532 HG11 -2.3515 23.7157 -12.7170 H 35 ILE58 0.0266 533 HG12 -2.2285 22.8516 -14.2248 H 35 ILE58 0.0266 534 CG2 -4.9629 21.9648 -14.2213 C.3 35 ILE58 -0.0605 535 HG21 -4.9613 21.1012 -13.5567 H 35 ILE58 0.0233 536 HG22 -4.4676 21.6710 -15.1478 H 35 ILE58 0.0233 537 HG23 -6.0060 22.1677 -14.4627 H 35 ILE58 0.0233 538 CD1 -2.5410 21.5978 -12.5005 C.3 35 ILE58 -0.0650 539 HD11 -1.4913 21.5069 -12.2210 H 35 ILE58 0.0230 540 HD12 -2.7941 20.7178 -13.0927 H 35 ILE58 0.0230 541 HD13 -3.1340 21.5674 -11.5875 H 35 ILE58 0.0230 542 N -6.4540 24.9820 -15.7270 N.am 36 PRO59 -0.2316 543 CA -7.8440 25.4160 -15.8140 C.3 36 PRO59 0.0909 544 HA -7.9244 26.3580 -15.2720 H 36 PRO59 0.0560 545 C -8.7960 24.3440 -15.2780 C.2 36 PRO59 0.2216 546 O -8.3720 23.1430 -15.1020 O.2 36 PRO59 -0.2776 547 CB -8.0760 25.5876 -17.3281 C.3 36 PRO59 -0.0275 548 HB1 -8.6393 24.7508 -17.7474 H 36 PRO59 0.0285 549 HB2 -8.6368 26.4935 -17.5574 H 36 PRO59 0.0285 550 CG -6.6935 25.5941 -17.9723 C.3 36 PRO59 -0.0379 551 HG1 -6.3337 26.6213 -18.0386 H 36 PRO59 0.0278 552 HG2 -6.6961 25.1785 -18.9804 H 36 PRO59 0.0278 553 CD -5.7967 24.8088 -17.0204 C.3 36 PRO59 0.0071 554 HD1 -4.7942 25.2325 -17.0180 H 36 PRO59 0.0431 555 HD2 -5.7718 23.7412 -17.2393 H 36 PRO59 0.0431 556 N -10.0380 24.7490 -14.9840 N.am 37 PRO60 -0.2316 557 CA -11.0080 23.7360 -14.5500 C.3 37 PRO60 0.0907 558 HA -10.7260 23.4187 -13.5448 H 37 PRO60 0.0559 559 C -11.1330 22.5600 -15.4980 C.2 37 PRO60 0.2189 560 O -11.1230 22.6840 -16.7770 O.2 37 PRO60 -0.2778 561 CB -12.3221 24.5394 -14.5684 C.3 37 PRO60 -0.0276 562 HB1 -13.0147 24.2354 -13.7883 H 37 PRO60 0.0285 563 HB2 -12.8429 24.4216 -15.5208 H 37 PRO60 0.0285 564 CG -11.9220 26.0070 -14.4436 C.3 37 PRO60 -0.0379 565 HG1 -11.8406 26.2622 -13.3930 H 37 PRO60 0.0278 566 HG2 -12.6491 26.6858 -14.8895 H 37 PRO60 0.0278 567 CD -10.5448 26.1105 -15.0872 C.3 37 PRO60 0.0071 568 HD1 -10.6014 26.3604 -16.1473 H 37 PRO60 0.0431 569 HD2 -9.8929 26.8033 -14.5569 H 37 PRO60 0.0431 570 N -11.2430 21.3760 -14.9200 N.am 38 MET61 -0.2456 571 H -11.2460 21.3140 -13.9020 H 38 MET61 0.1312 572 CA -11.3630 20.1280 -15.7320 C.3 38 MET61 0.0885 573 HA -11.3691 19.3238 -14.9981 H 38 MET61 0.0557 574 C -10.1850 19.8160 -16.6960 C.2 38 MET61 0.2187 575 O -10.3650 19.2970 -17.7700 O.2 38 MET61 -0.2778 576 CB -12.6946 20.1062 -16.5115 C.3 38 MET61 -0.0199 577 HB1 -12.8574 19.1053 -16.9125 H 38 MET61 0.0293 578 HB2 -12.6254 20.7583 -17.3835 H 38 MET61 0.0293 579 CG -13.9191 20.5328 -15.6883 C.3 38 MET61 -0.0047 580 HG1 -14.8160 20.3409 -16.2780 H 38 MET61 0.0377 581 HG2 -13.8892 21.6060 -15.4974 H 38 MET61 0.0377 582 SD -14.0588 19.6579 -14.1147 S.3 38 MET61 -0.1641 583 CE -14.0903 17.9622 -14.7234 C.3 38 MET61 -0.0181 584 HE1 -14.4767 17.2903 -13.9573 H 38 MET61 0.0340 585 HE2 -13.0917 17.6405 -15.0191 H 38 MET61 0.0340 586 HE3 -14.7412 17.8886 -15.5948 H 38 MET61 0.0340 587 N -9.0100 20.2960 -16.3640 N.am 39 GLU62 -0.2456 588 H -8.9360 20.8520 -15.5120 H 39 GLU62 0.1312 589 CA -7.8330 20.0780 -17.1350 C.3 39 GLU62 0.0883 590 HA -8.0664 19.3137 -17.8785 H 39 GLU62 0.0557 591 C -6.7430 19.3990 -16.2760 C.2 39 GLU62 0.2187 592 O -6.8410 19.2750 -15.0910 O.2 39 GLU62 -0.2778 593 CB -7.3399 21.3376 -17.8770 C.3 39 GLU62 -0.0193 594 HB1 -6.3077 21.5685 -17.6112 H 39 GLU62 0.0290 595 HB2 -7.9229 22.2016 -17.5572 H 39 GLU62 0.0290 596 CG -7.4378 21.2034 -19.4136 C.3 39 GLU62 0.0356 597 HG1 -7.0873 22.1173 -19.8914 H 39 GLU62 0.0374 598 HG2 -8.4794 21.0735 -19.7078 H 39 GLU62 0.0374 599 CD -6.6186 20.0189 -19.9815 C.2 39 GLU62 0.1760 600 OE1 -7.1802 18.9743 -20.3016 O.co2 39 GLU62 -0.6478 601 OE2 -5.4026 20.1102 -20.1172 O.co2 39 GLU62 -0.6478 602 N -5.7210 19.0040 -16.9570 N.am 40 LYS63 -0.2457 603 H -5.7010 19.1810 -17.9610 H 40 LYS63 0.1312 604 CA -4.5420 18.2820 -16.3140 C.3 40 LYS63 0.0878 605 HA -4.6950 18.2045 -15.2446 H 40 LYS63 0.0557 606 C -3.2880 19.1080 -16.6700 C.2 40 LYS63 0.2187 607 O -3.2520 19.9100 -17.6600 O.2 40 LYS63 -0.2778 608 CB -4.4440 16.9277 -17.0658 C.3 40 LYS63 -0.0289 609 HB1 -3.4539 16.4845 -16.9499 H 40 LYS63 0.0285 610 HB2 -5.1538 16.2199 -16.6423 H 40 LYS63 0.0285 611 CG -4.8054 17.1243 -18.5550 C.3 40 LYS63 -0.0496 612 HG1 -4.3719 18.0647 -18.8925 H 40 LYS63 0.0266 613 HG2 -5.8895 17.2307 -18.6337 H 40 LYS63 0.0266 614 CD -4.3803 16.0805 -19.5840 C.3 40 LYS63 -0.0278 615 HD1 -3.2960 16.1027 -19.6972 H 40 LYS63 0.0282 616 HD2 -4.6476 15.0773 -19.2505 H 40 LYS63 0.0282 617 CE -5.0738 16.3999 -20.9257 C.3 40 LYS63 0.1103 618 HE1 -4.5907 15.8958 -21.7636 H 40 LYS63 0.0559 619 HE2 -6.1049 16.0428 -20.8813 H 40 LYS63 0.0559 620 NZ -5.1476 17.8364 -21.2088 N.4 40 LYS63 -0.0749 621 HZ1 -5.8628 18.0708 -21.9237 H 40 LYS63 0.2742 622 HZ2 -4.2324 18.2744 -21.4123 H 40 LYS63 0.2742 623 HZ3 -5.5166 18.3430 -20.3696 H 40 LYS63 0.2742 624 N -2.2380 18.8940 -15.8800 N.am 41 ALA64 -0.2459 625 H -2.3560 18.3550 -15.0220 H 41 ALA64 0.1312 626 CA -0.8920 19.4310 -16.2310 C.3 41 ALA64 0.0850 627 HA -0.8162 19.4879 -17.3186 H 41 ALA64 0.0554 628 C 0.1690 18.4560 -15.7250 C.2 41 ALA64 0.2184 629 O -0.0880 17.8430 -14.7140 O.2 41 ALA64 -0.2778 630 CB -0.7039 20.8129 -15.5959 C.3 41 ALA64 -0.0411 631 HB1 0.2670 21.2391 -15.8504 H 41 ALA64 0.0249 632 HB2 -0.7726 20.7612 -14.5093 H 41 ALA64 0.0249 633 HB3 -1.4710 21.5023 -15.9489 H 41 ALA64 0.0249 634 N 1.2990 18.3540 -16.3800 N.am 42 VAL65 -0.2454 635 H 1.4110 18.8000 -17.2900 H 42 VAL65 0.1312 636 CA 2.3970 17.5910 -15.7880 C.3 42 VAL65 0.0901 637 HA 2.0109 16.9008 -15.0355 H 42 VAL65 0.0560 638 C 3.2740 18.6120 -15.1230 C.2 42 VAL65 0.2189 639 O 3.9080 19.4380 -15.7990 O.2 42 VAL65 -0.2778 640 CB 3.1602 16.7763 -16.8463 C.3 42 VAL65 -0.0227 641 HB 3.6579 17.4629 -17.5331 H 42 VAL65 0.0315 642 CG1 4.2316 15.8989 -16.1759 C.3 42 VAL65 -0.0608 643 HG11 4.9679 16.4998 -15.6413 H 42 VAL65 0.0233 644 HG12 4.7693 15.3062 -16.9110 H 42 VAL65 0.0233 645 HG13 3.7850 15.2082 -15.4591 H 42 VAL65 0.0233 646 CG2 2.2058 15.9089 -17.6796 C.3 42 VAL65 -0.0608 647 HG21 1.4754 16.5123 -18.2184 H 42 VAL65 0.0233 648 HG22 1.6593 15.2051 -17.0520 H 42 VAL65 0.0233 649 HG23 2.7571 15.3386 -18.4246 H 42 VAL65 0.0233 650 N 3.4000 18.4880 -13.8060 N.am 43 VAL66 -0.2454 651 H 2.9880 17.6900 -13.3220 H 43 VAL66 0.1312 652 CA 4.1420 19.5160 -13.0500 C.3 43 VAL66 0.0901 653 HA 4.2277 20.4304 -13.6381 H 43 VAL66 0.0560 654 C 5.5440 18.9320 -12.7970 C.2 43 VAL66 0.2189 655 O 5.7130 17.8830 -12.1770 O.2 43 VAL66 -0.2778 656 CB 3.3830 19.7883 -11.7349 C.3 43 VAL66 -0.0227 657 HB 3.1763 18.8322 -11.2521 H 43 VAL66 0.0315 658 CG1 4.1927 20.6312 -10.7381 C.3 43 VAL66 -0.0608 659 HG11 3.6071 20.8647 -9.8497 H 43 VAL66 0.0233 660 HG12 4.4904 21.5737 -11.1858 H 43 VAL66 0.0233 661 HG13 5.0957 20.1181 -10.4063 H 43 VAL66 0.0233 662 CG2 2.0348 20.4616 -12.0254 C.3 43 VAL66 -0.0608 663 HG21 1.5499 20.7605 -11.0992 H 43 VAL66 0.0233 664 HG22 1.3576 19.7931 -12.5588 H 43 VAL66 0.0233 665 HG23 2.1632 21.3598 -12.6292 H 43 VAL66 0.0233 666 N 6.6000 19.6460 -13.2440 N.am 44 LYS67 -0.2456 667 H 6.4790 20.5840 -13.6260 H 44 LYS67 0.1312 668 CA 7.9440 19.0190 -13.1600 C.3 44 LYS67 0.0878 669 HA 7.8651 17.9318 -13.2282 H 44 LYS67 0.0557 670 C 8.5510 19.4280 -11.8600 C.2 44 LYS67 0.2187 671 O 8.4420 20.5970 -11.4600 O.2 44 LYS67 -0.2778 672 CB 8.8987 19.5699 -14.2345 C.3 44 LYS67 -0.0289 673 HB1 9.8900 19.1398 -14.0662 H 44 LYS67 0.0285 674 HB2 9.0064 20.6489 -14.1136 H 44 LYS67 0.0285 675 CG 8.4967 19.2784 -15.6802 C.3 44 LYS67 -0.0496 676 HG1 8.1683 18.2406 -15.7614 H 44 LYS67 0.0266 677 HG2 7.6391 19.8922 -15.9564 H 44 LYS67 0.0266 678 CD 9.6648 19.5070 -16.6576 C.3 44 LYS67 -0.0278 679 HD1 10.4597 18.7854 -16.4611 H 44 LYS67 0.0282 680 HD2 9.3053 19.2862 -17.6629 H 44 LYS67 0.0282 681 CE 10.2458 20.9331 -16.6439 C.3 44 LYS67 0.1103 682 HE1 10.7903 21.1107 -17.5732 H 44 LYS67 0.0559 683 HE2 9.4435 21.6728 -16.5989 H 44 LYS67 0.0559 684 NZ 11.1767 21.2020 -15.5480 N.4 44 LYS67 -0.0749 685 HZ1 11.5676 22.1611 -15.5771 H 44 LYS67 0.2742 686 HZ2 11.9919 20.5508 -15.5256 H 44 LYS67 0.2742 687 HZ3 10.7367 21.0780 -14.6110 H 44 LYS67 0.2742 688 N 9.1910 18.4610 -11.1960 N.am 45 THR68 -0.2434 689 H 9.1460 17.5040 -11.5450 H 45 THR68 0.1313 690 CA 9.9710 18.7490 -9.9550 C.3 45 THR68 0.1135 691 HA 9.5235 19.6211 -9.4750 H 45 THR68 0.0583 692 C 11.4470 19.0790 -10.2010 C.2 45 THR68 0.2212 693 O 12.0880 19.6940 -9.3180 O.2 45 THR68 -0.2777 694 CB 9.8829 17.5536 -8.9864 C.3 45 THR68 0.0763 695 HB 10.4180 17.8037 -8.0653 H 45 THR68 0.0611 696 OG1 10.4547 16.3731 -9.5135 O.3 45 THR68 -0.3900 697 HG1 11.1572 16.5900 -10.1164 H 45 THR68 0.2098 698 CG2 8.4383 17.2147 -8.5995 C.3 45 THR68 -0.0370 699 HG21 7.9327 18.0723 -8.1563 H 45 THR68 0.0255 700 HG22 8.4155 16.4006 -7.8751 H 45 THR68 0.0255 701 HG23 7.8598 16.8945 -9.4665 H 45 THR68 0.0255 702 N 11.9360 18.7110 -11.3440 N.am 46 ASP69 -0.2450 703 H 11.3160 18.3260 -12.0570 H 46 ASP69 0.1312 704 CA 13.3650 18.8400 -11.6250 C.3 46 ASP69 0.0974 705 HA 13.5150 18.2167 -12.5015 H 46 ASP69 0.0563 706 C 14.1910 18.1560 -10.5660 C.2 46 ASP69 0.2192 707 O 15.2880 18.6030 -10.2270 O.2 46 ASP69 -0.2778 708 CB 13.7358 20.2766 -12.0286 C.3 46 ASP69 0.0576 709 HB1 13.5332 20.9837 -11.2246 H 46 ASP69 0.0394 710 HB2 14.7956 20.3426 -12.2727 H 46 ASP69 0.0394 711 CG 12.8963 20.6646 -13.2750 C.2 46 ASP69 0.1780 712 OD1 11.7107 20.9430 -13.1463 O.co2 46 ASP69 -0.6478 713 OD2 13.3994 20.6852 -14.3962 O.co2 46 ASP69 -0.6478 714 N 13.7260 17.0200 -10.0740 N.am 47 ILE70 -0.2454 715 H 12.7490 16.7690 -10.2280 H 47 ILE70 0.1312 716 CA 14.5990 16.1070 -9.3040 C.3 47 ILE70 0.0903 717 HA 15.6266 16.4631 -9.3862 H 47 ILE70 0.0560 718 C 14.5910 14.7120 -9.9480 C.2 47 ILE70 0.2189 719 O 13.6070 14.3450 -10.6100 O.2 47 ILE70 -0.2778 720 CB 14.2349 16.0114 -7.8048 C.3 47 ILE70 -0.0201 721 HB 14.9673 15.3390 -7.3540 H 47 ILE70 0.0318 722 CG1 12.8391 15.4189 -7.5270 C.3 47 ILE70 -0.0514 723 HG11 12.6235 14.5898 -8.2004 H 47 ILE70 0.0266 724 HG12 12.0798 16.1741 -7.7140 H 47 ILE70 0.0266 725 CG2 14.3975 17.3702 -7.1168 C.3 47 ILE70 -0.0605 726 HG21 14.3033 17.2897 -6.0341 H 47 ILE70 0.0233 727 HG22 13.6356 18.0677 -7.4658 H 47 ILE70 0.0233 728 HG23 15.3777 17.7970 -7.3281 H 47 ILE70 0.0233 729 CD1 12.6913 14.9119 -6.0889 C.3 47 ILE70 -0.0650 730 HD11 11.7002 14.4885 -5.9245 H 47 ILE70 0.0230 731 HD12 12.8299 15.7219 -5.3754 H 47 ILE70 0.0230 732 HD13 13.4274 14.1396 -5.8656 H 47 ILE70 0.0230 733 N 15.7250 13.9760 -9.8120 N.am 48 GLN71 -0.2456 734 H 16.5820 14.4180 -9.4810 H 48 GLN71 0.1312 735 CA 15.7190 12.5610 -10.1370 C.3 48 GLN71 0.0882 736 HA 14.7545 12.2648 -10.5558 H 48 GLN71 0.0557 737 C 15.9200 11.8720 -8.7620 C.2 48 GLN71 0.2187 738 O 16.5120 12.4120 -7.8320 O.2 48 GLN71 -0.2778 739 CB 16.8658 12.2042 -11.0959 C.3 48 GLN71 -0.0210 740 HB1 16.6739 12.6532 -12.0711 H 48 GLN71 0.0289 741 HB2 16.8453 11.1249 -11.2592 H 48 GLN71 0.0289 742 CG 18.2581 12.6347 -10.5915 C.3 48 GLN71 0.0225 743 HG1 18.3988 12.3726 -9.5444 H 48 GLN71 0.0356 744 HG2 18.3870 13.7150 -10.6641 H 48 GLN71 0.0356 745 CD 19.3666 11.9149 -11.3689 C.2 48 GLN71 0.1981 746 OE1 19.6144 10.7334 -11.1709 O.2 48 GLN71 -0.2798 747 NE2 20.0174 12.6852 -12.2525 N.am 48 GLN71 -0.2724 748 HE21 19.7873 13.6492 -12.3784 H 48 GLN71 0.1266 749 HE22 20.7501 12.2824 -12.8000 H 48 GLN71 0.1266 750 N 15.3030 10.7280 -8.6420 N.am 49 ILE72 -0.2454 751 H 14.7410 10.3780 -9.4180 H 49 ILE72 0.1312 752 CA 15.4030 9.9380 -7.4140 C.3 49 ILE72 0.0903 753 HA 16.0787 10.4324 -6.7172 H 49 ILE72 0.0560 754 C 15.9450 8.5580 -7.6340 C.2 49 ILE72 0.2189 755 O 15.8930 7.9960 -8.7330 O.2 49 ILE72 -0.2778 756 CB 13.9979 9.8591 -6.7637 C.3 49 ILE72 -0.0201 757 HB 14.0939 9.2808 -5.8428 H 49 ILE72 0.0318 758 CG1 12.9588 9.1440 -7.6594 C.3 49 ILE72 -0.0514 759 HG11 13.3499 8.1816 -7.9894 H 49 ILE72 0.0266 760 HG12 12.7785 9.7230 -8.5659 H 49 ILE72 0.0266 761 CG2 13.5079 11.2587 -6.3550 C.3 49 ILE72 -0.0605 762 HG21 14.2543 11.7704 -5.7494 H 49 ILE72 0.0233 763 HG22 12.5957 11.2057 -5.7611 H 49 ILE72 0.0233 764 HG23 13.3000 11.8844 -7.2239 H 49 ILE72 0.0233 765 CD1 11.6241 8.8802 -6.9522 C.3 49 ILE72 -0.0650 766 HD11 10.9654 8.2735 -7.5730 H 49 ILE72 0.0230 767 HD12 11.0980 9.8086 -6.7313 H 49 ILE72 0.0230 768 HD13 11.7793 8.3438 -6.0166 H 49 ILE72 0.0230 769 N 16.5580 8.0160 -6.5690 N.am 50 ALA73 -0.2459 770 H 16.7900 8.5920 -5.7600 H 50 ALA73 0.1312 771 CA 16.8920 6.5780 -6.5820 C.3 50 ALA73 0.0850 772 HA 16.5242 6.1158 -7.4926 H 50 ALA73 0.0554 773 C 16.1890 5.9550 -5.4080 C.2 50 ALA73 0.2184 774 O 16.5740 6.1310 -4.2530 O.2 50 ALA73 -0.2778 775 CB 18.4109 6.4074 -6.4836 C.3 50 ALA73 -0.0411 776 HB1 18.9035 6.8693 -7.3394 H 50 ALA73 0.0249 777 HB2 18.6900 5.3532 -6.4699 H 50 ALA73 0.0249 778 HB3 18.8062 6.8745 -5.5818 H 50 ALA73 0.0249 779 N 15.1390 5.2010 -5.7370 N.am 51 LEU74 -0.2456 780 H 14.8980 5.0790 -6.7210 H 51 LEU74 0.1312 781 CA 14.3310 4.5490 -4.7160 C.3 51 LEU74 0.0883 782 HA 14.0937 5.3141 -3.9788 H 51 LEU74 0.0557 783 C 15.0880 3.3470 -4.0660 C.2 51 LEU74 0.2214 784 O 15.9310 2.6630 -4.7130 O.2 51 LEU74 -0.2776 785 CB 13.0509 4.0429 -5.4126 C.3 51 LEU74 -0.0266 786 HB1 12.4979 3.3597 -4.7650 H 51 LEU74 0.0287 787 HB2 13.3488 3.4423 -6.2739 H 51 LEU74 0.0287 788 CG 12.1084 5.1772 -5.8729 C.3 51 LEU74 -0.0449 789 HG 12.7049 6.0261 -6.2092 H 51 LEU74 0.0296 790 CD1 11.2512 4.7422 -7.0703 C.3 51 LEU74 -0.0626 791 HD11 10.5333 5.5142 -7.3495 H 51 LEU74 0.0232 792 HD12 10.6955 3.8314 -6.8485 H 51 LEU74 0.0232 793 HD13 11.8713 4.5466 -7.9454 H 51 LEU74 0.0232 794 CD2 11.2159 5.6554 -4.7190 C.3 51 LEU74 -0.0626 795 HD21 10.5898 6.4929 -5.0265 H 51 LEU74 0.0232 796 HD22 11.8091 5.9836 -3.8673 H 51 LEU74 0.0232 797 HD23 10.5560 4.8570 -4.3765 H 51 LEU74 0.0232 798 N 14.7990 3.1160 -2.8430 N.am 52 PRO75 -0.2316 799 CA 15.3810 1.9060 -2.2000 C.3 52 PRO75 0.0907 800 HA 16.4660 1.9879 -2.2824 H 52 PRO75 0.0559 801 C 14.9620 0.6090 -2.8410 C.2 52 PRO75 0.2190 802 O 13.8890 0.5130 -3.3700 O.2 52 PRO75 -0.2778 803 CB 14.9392 2.0454 -0.7369 C.3 52 PRO75 -0.0276 804 HB1 15.7513 2.4996 -0.1703 H 52 PRO75 0.0285 805 HB2 14.6988 1.0936 -0.2601 H 52 PRO75 0.0285 806 CG 13.7502 3.0092 -0.7412 C.3 52 PRO75 -0.0379 807 HG1 13.6794 3.5922 0.1769 H 52 PRO75 0.0278 808 HG2 12.8298 2.4347 -0.8274 H 52 PRO75 0.0278 809 CD 13.9158 3.8949 -1.9795 C.3 52 PRO75 0.0071 810 HD1 12.9635 4.0750 -2.4823 H 52 PRO75 0.0431 811 HD2 14.4211 4.8354 -1.7542 H 52 PRO75 0.0431 812 N 15.7180 -0.4050 -2.7190 N.am 53 SER76 -0.2436 813 H 16.5920 -0.3200 -2.2000 H 53 SER76 0.1312 814 CA 15.3670 -1.6520 -3.2920 C.3 53 SER76 0.1109 815 HA 15.1188 -1.4527 -4.3302 H 53 SER76 0.0580 816 C 14.1650 -2.2220 -2.6150 C.2 53 SER76 0.2207 817 O 14.0170 -2.1590 -1.4000 O.2 53 SER76 -0.2777 818 CB 16.5464 -2.6356 -3.2321 C.3 53 SER76 0.0681 819 HB1 17.3883 -2.2561 -3.8199 H 53 SER76 0.0577 820 HB2 16.9018 -2.7226 -2.2052 H 53 SER76 0.0577 821 OG 16.2175 -3.9449 -3.6667 O.3 53 SER76 -0.3930 822 HG 15.8277 -3.8975 -4.5413 H 53 SER76 0.2095 823 N 13.2600 -2.8430 -3.3800 N.am 54 GLY77 -0.2484 824 H 13.3860 -2.8590 -4.3920 H 54 GLY77 0.1309 825 CA 12.0960 -3.4970 -2.7920 C.3 54 GLY77 0.0765 826 HA1 11.9084 -4.3653 -3.4219 H 54 GLY77 0.0521 827 HA2 12.3339 -3.8442 -1.7872 H 54 GLY77 0.0521 828 C 10.8380 -2.6460 -2.7730 C.2 54 GLY77 0.2156 829 O 9.8350 -3.0330 -2.1770 O.2 54 GLY77 -0.2781 830 N 10.9060 -1.5310 -3.4570 N.am 55 CYS78 -0.2451 831 H 11.7600 -1.2470 -3.9380 H 55 CYS78 0.1312 832 CA 9.6420 -0.6790 -3.4970 C.3 55 CYS78 0.0965 833 HA 8.7666 -1.3240 -3.4355 H 55 CYS78 0.0565 834 C 9.5840 0.0280 -4.7980 C.2 55 CYS78 0.2195 835 O 10.4660 -0.0130 -5.6070 O.2 55 CYS78 -0.2778 836 CB 9.6906 0.3516 -2.3589 C.3 55 CYS78 0.0147 837 HB1 9.6977 -0.1621 -1.3989 H 55 CYS78 0.0394 838 HB2 8.8038 0.9837 -2.3661 H 55 CYS78 0.0394 839 SG 11.1418 1.4284 -2.4562 S.3 55 CYS78 -0.1762 840 HG 11.8896 1.0392 -3.4967 H 55 CYS78 0.1017 841 N 8.4080 0.6140 -5.1070 N.am 56 TYR79 -0.2453 842 H 7.5580 0.3710 -4.5970 H 56 TYR79 0.1312 843 CA 8.3710 1.6080 -6.1900 C.3 56 TYR79 0.0917 844 HA 9.3579 1.7161 -6.6441 H 56 TYR79 0.0560 845 C 8.0370 2.9080 -5.4950 C.2 56 TYR79 0.2188 846 O 7.5890 2.8940 -4.3120 O.2 56 TYR79 -0.2778 847 CB 7.3566 1.1909 -7.2709 C.3 56 TYR79 -0.0036 848 HB1 7.5649 1.7287 -8.1949 H 56 TYR79 0.0333 849 HB2 7.4953 0.1372 -7.5130 H 56 TYR79 0.0333 850 CG 5.9160 1.4255 -6.8920 C.ar 56 TYR79 -0.0453 851 CD1 5.2193 2.5031 -7.4324 C.ar 56 TYR79 -0.0561 852 HD1 5.7150 3.1801 -8.1140 H 56 TYR79 0.0621 853 CD2 5.2620 0.5750 -6.0062 C.ar 56 TYR79 -0.0561 854 HD2 5.7928 -0.2539 -5.5628 H 56 TYR79 0.0621 855 CE1 3.8866 2.7148 -7.1079 C.ar 56 TYR79 -0.0317 856 HE1 3.3492 3.5538 -7.5207 H 56 TYR79 0.0643 857 CE2 3.9289 0.7863 -5.6805 C.ar 56 TYR79 -0.0317 858 HE2 3.4266 0.1301 -4.9855 H 56 TYR79 0.0643 859 CZ 3.2406 1.8534 -6.2365 C.ar 56 TYR79 0.0726 860 OH 1.9202 2.0725 -5.9099 O.3 56 TYR79 -0.3598 861 HH 1.8169 1.9666 -4.9668 H 56 TYR79 0.2173 862 N 8.0660 4.0380 -6.2360 N.am 57 GLY80 -0.2485 863 H 8.3390 4.0030 -7.2180 H 57 GLY80 0.1309 864 CA 7.6970 5.3260 -5.6070 C.3 57 GLY80 0.0765 865 HA1 7.7153 5.2594 -4.5188 H 57 GLY80 0.0521 866 HA2 8.4372 6.0558 -5.9294 H 57 GLY80 0.0521 867 C 6.3390 5.7350 -6.1330 C.2 57 GLY80 0.2155 868 O 6.1600 5.8780 -7.3450 O.2 57 GLY80 -0.2781 869 N 5.4060 5.8490 -5.2280 N.am 58 ARG81 -0.2459 870 H 5.6010 5.6260 -4.2520 H 58 ARG81 0.1312 871 CA 4.0600 6.3060 -5.6390 C.3 58 ARG81 0.0879 872 HA 3.9521 6.0868 -6.6967 H 58 ARG81 0.0557 873 C 4.0320 7.7920 -5.4140 C.2 58 ARG81 0.2187 874 O 4.1700 8.2880 -4.3090 O.2 58 ARG81 -0.2778 875 CB 2.8987 5.5969 -4.9306 C.3 58 ARG81 -0.0258 876 HB1 3.0390 4.5198 -5.0176 H 58 ARG81 0.0286 877 HB2 2.8912 5.8133 -3.8610 H 58 ARG81 0.0286 878 CG 1.5614 6.0029 -5.5912 C.3 58 ARG81 -0.0154 879 HG1 1.6920 6.0527 -6.6728 H 58 ARG81 0.0299 880 HG2 1.2862 7.0094 -5.2752 H 58 ARG81 0.0299 881 CD 0.4051 5.0417 -5.3200 C.3 58 ARG81 0.1045 882 HD1 0.6606 4.0312 -5.6368 H 58 ARG81 0.0711 883 HD2 -0.5032 5.3251 -5.8538 H 58 ARG81 0.0711 884 NE 0.1491 4.9699 -3.8947 N.pl3 58 ARG81 -0.4450 885 HE 0.7285 4.3474 -3.3477 H 58 ARG81 0.3153 886 CZ -0.7562 5.6244 -3.1992 C.cat 58 ARG81 0.5062 887 NH1 -0.8104 5.4124 -1.9191 N.pl3 58 ARG81 -0.4573 888 HH11 -0.1032 4.7856 -1.5618 H 58 ARG81 0.3114 889 HH12 -1.4782 5.8244 -1.3152 H 58 ARG81 0.3114 890 NH2 -1.5811 6.4629 -3.7684 N.pl3 58 ARG81 -0.4573 891 HH21 -1.4993 6.6101 -4.7498 H 58 ARG81 0.3114 892 HH22 -2.2707 6.9390 -3.2334 H 58 ARG81 0.3114 893 N 3.6100 8.4690 -6.4890 N.am 59 VAL82 -0.2454 894 H 3.5070 7.9910 -7.3840 H 59 VAL82 0.1312 895 CA 3.2990 9.8820 -6.3820 C.3 59 VAL82 0.0901 896 HA 3.9131 10.3231 -5.5938 H 59 VAL82 0.0560 897 C 1.8560 9.9200 -5.9980 C.2 59 VAL82 0.2189 898 O 1.0170 9.4610 -6.7650 O.2 59 VAL82 -0.2778 899 CB 3.5429 10.6349 -7.7049 C.3 59 VAL82 -0.0227 900 HB 2.8209 10.2949 -8.4405 H 59 VAL82 0.0315 901 CG1 3.3234 12.1458 -7.5521 C.3 59 VAL82 -0.0608 902 HG11 2.3103 12.3743 -7.2228 H 59 VAL82 0.0233 903 HG12 3.4788 12.6513 -8.5048 H 59 VAL82 0.0233 904 HG13 4.0138 12.5731 -6.8277 H 59 VAL82 0.0233 905 CG2 4.9410 10.3574 -8.2654 C.3 59 VAL82 -0.0608 906 HG21 5.1101 10.9105 -9.1901 H 59 VAL82 0.0233 907 HG22 5.0738 9.3003 -8.4936 H 59 VAL82 0.0233 908 HG23 5.7126 10.6496 -7.5523 H 59 VAL82 0.0233 909 N 1.5670 10.4150 -4.8130 N.am 60 ALA83 -0.2459 910 H 2.2910 10.9040 -4.2870 H 60 ALA83 0.1312 911 CA 0.1890 10.2750 -4.2160 C.3 60 ALA83 0.0852 912 HA -0.4539 9.8150 -4.9644 H 60 ALA83 0.0554 913 C -0.3420 11.6590 -3.8750 C.2 60 ALA83 0.2211 914 O 0.4330 12.5950 -3.6340 O.2 60 ALA83 -0.2776 915 CB 0.3021 9.3883 -2.9691 C.3 60 ALA83 -0.0411 916 HB1 -0.6661 9.2219 -2.4983 H 60 ALA83 0.0249 917 HB2 0.9639 9.8338 -2.2273 H 60 ALA83 0.0249 918 HB3 0.7171 8.4139 -3.2286 H 60 ALA83 0.0249 919 N -1.6640 11.7930 -3.6490 N.am 61 PRO84 -0.2316 920 CA -2.2160 13.1320 -3.3560 C.3 61 PRO84 0.0907 921 HA -1.8465 13.8197 -4.1164 H 61 PRO84 0.0559 922 C -1.8530 13.6200 -1.9670 C.2 61 PRO84 0.2189 923 O -1.7300 12.8140 -0.9950 O.2 61 PRO84 -0.2778 924 CB -3.7377 12.9257 -3.4855 C.3 61 PRO84 -0.0276 925 HB1 -4.2132 13.7186 -4.0646 H 61 PRO84 0.0285 926 HB2 -4.2276 12.9026 -2.5106 H 61 PRO84 0.0285 927 CG -3.9185 11.5607 -4.1497 C.3 61 PRO84 -0.0379 928 HG1 -3.9385 11.6914 -5.2335 H 61 PRO84 0.0278 929 HG2 -4.8523 11.0727 -3.8689 H 61 PRO84 0.0278 930 CD -2.6811 10.7528 -3.7581 C.3 61 PRO84 0.0071 931 HD1 -2.7799 10.2870 -2.7774 H 61 PRO84 0.0431 932 HD2 -2.4389 10.0137 -4.5192 H 61 PRO84 0.0431 933 N -1.6340 14.9370 -1.9140 N.am 62 ARG85 -0.2456 934 H -1.3600 15.4320 -2.7630 H 62 ARG85 0.1312 935 CA -1.7820 15.7000 -0.6390 C.3 62 ARG85 0.0879 936 HA -1.2662 15.1122 0.1248 H 62 ARG85 0.0557 937 C -3.2680 15.8010 -0.3100 C.2 62 ARG85 0.2187 938 O -4.1570 16.0730 -1.1810 O.2 62 ARG85 -0.2778 939 CB -1.1356 17.1003 -0.7433 C.3 62 ARG85 -0.0258 940 HB1 -0.9997 17.5007 0.2615 H 62 ARG85 0.0286 941 HB2 -1.8068 17.7871 -1.2607 H 62 ARG85 0.0286 942 CG 0.2112 17.1050 -1.4862 C.3 62 ARG85 -0.0154 943 HG1 -0.0013 16.9523 -2.5423 H 62 ARG85 0.0299 944 HG2 0.8326 16.2666 -1.1660 H 62 ARG85 0.0299 945 CD 1.0099 18.4109 -1.3550 C.3 62 ARG85 0.1045 946 HD1 0.3921 19.2935 -1.5220 H 62 ARG85 0.0711 947 HD2 1.8135 18.4362 -2.0870 H 62 ARG85 0.0711 948 NE 1.7006 18.4687 -0.0732 N.pl3 62 ARG85 -0.4450 949 HE 2.3270 17.7222 0.1900 H 62 ARG85 0.3153 950 CZ 1.6609 19.4330 0.8320 C.cat 62 ARG85 0.5062 951 NH1 0.9447 20.5119 0.6548 N.pl3 62 ARG85 -0.4573 952 HH11 0.9035 21.2085 1.3647 H 62 ARG85 0.3114 953 HH12 0.4641 20.6336 -0.2091 H 62 ARG85 0.3114 954 NH2 2.3648 19.3016 1.9162 N.pl3 62 ARG85 -0.4573 955 HH21 2.3056 19.9110 2.6954 H 62 ARG85 0.3114 956 HH22 3.0345 18.5368 1.9504 H 62 ARG85 0.3114 957 N -3.5500 15.4440 0.9610 N.am 63 SER86 -0.2432 958 H -2.7810 15.2330 1.5970 H 63 SER86 0.1313 959 CA -4.9050 15.3510 1.4480 C.3 63 SER86 0.1241 960 HA -5.3933 14.6267 0.7901 H 63 SER86 0.0585 961 C -5.6920 16.6680 1.3540 C.2 63 SER86 0.3374 962 O -6.9090 16.6870 0.8780 O.2 63 SER86 -0.2637 963 CB -4.9227 14.7803 2.8808 C.3 63 SER86 0.0686 964 HB1 -5.8932 14.3051 3.0760 H 63 SER86 0.0578 965 HB2 -4.7768 15.5652 3.6292 H 63 SER86 0.0578 966 OG -3.8653 13.8440 3.0035 O.3 63 SER86 -0.3930 967 HG -3.9173 13.3408 3.8169 H 63 SER86 0.2095 968 N -5.0370 17.7480 1.7880 N.am 64 GLY87 0.0012 969 H1 -3.9854 17.6754 2.1658 H 64 GLY87 0.0000 970 CA -5.7630 19.0660 1.7510 C.3 64 GLY87 0.1934 971 HA1 -5.1306 19.8369 2.1933 H 64 GLY87 0.0663 972 HA2 -6.6778 18.9982 2.3456 H 64 GLY87 0.0663 973 C -6.1230 19.4820 0.3540 C.2 64 GLY87 0.2292 974 O -7.1890 20.0070 0.1270 O.2 64 GLY87 -0.2776 975 N -5.2010 19.3240 -0.6270 N.am 65 LEU88 -0.2454 976 H -4.3020 18.8900 -0.4170 H 65 LEU88 0.1312 977 CA -5.5010 19.7850 -2.0110 C.3 65 LEU88 0.0880 978 HA -5.7590 20.8435 -1.9598 H 65 LEU88 0.0557 979 C -6.7020 19.0510 -2.6000 C.2 65 LEU88 0.2187 980 O -7.5020 19.5940 -3.3520 O.2 65 LEU88 -0.2778 981 CB -4.2756 19.5641 -2.9203 C.3 65 LEU88 -0.0266 982 HB1 -4.5259 19.8556 -3.9420 H 65 LEU88 0.0287 983 HB2 -4.0481 18.4971 -2.9627 H 65 LEU88 0.0287 984 CG -3.0087 20.3321 -2.4992 C.3 65 LEU88 -0.0449 985 HG -2.7470 20.0531 -1.4790 H 65 LEU88 0.0296 986 CD1 -1.8257 19.9462 -3.3998 C.3 65 LEU88 -0.0626 987 HD11 -0.9178 20.4713 -3.1026 H 65 LEU88 0.0232 988 HD12 -2.0247 20.2028 -4.4415 H 65 LEU88 0.0232 989 HD13 -1.6203 18.8762 -3.3594 H 65 LEU88 0.0232 990 CD2 -3.2245 21.8521 -2.5400 C.3 65 LEU88 -0.0626 991 HD21 -2.3038 22.3850 -2.2999 H 65 LEU88 0.0232 992 HD22 -3.9799 22.1748 -1.8246 H 65 LEU88 0.0232 993 HD23 -3.5414 22.1777 -3.5317 H 65 LEU88 0.0232 994 N -6.8620 17.7820 -2.2610 N.am 66 ALA89 -0.2459 995 H -6.1580 17.3190 -1.6870 H 66 ALA89 0.1312 996 CA -8.0270 17.0460 -2.6980 C.3 66 ALA89 0.0850 997 HA -8.1477 17.2118 -3.7708 H 66 ALA89 0.0554 998 C -9.3160 17.5290 -1.9860 C.2 66 ALA89 0.2184 999 O -10.2890 17.7640 -2.6640 O.2 66 ALA89 -0.2778 1000 CB -7.7896 15.5517 -2.4538 C.3 66 ALA89 -0.0411 1001 HB1 -6.9045 15.2102 -2.9920 H 66 ALA89 0.0249 1002 HB2 -8.6322 14.9566 -2.8084 H 66 ALA89 0.0249 1003 HB3 -7.6421 15.3323 -1.3965 H 66 ALA89 0.0249 1004 N -9.2900 17.6030 -0.6380 N.am 67 ALA90 -0.2459 1005 H -8.4310 17.4590 -0.1080 H 67 ALA90 0.1312 1006 CA -10.5970 17.9090 0.0370 C.3 67 ALA90 0.0850 1007 HA -11.3501 17.2295 -0.3692 H 67 ALA90 0.0554 1008 C -11.0520 19.3520 -0.2270 C.2 67 ALA90 0.2184 1009 O -12.2550 19.5920 -0.1820 O.2 67 ALA90 -0.2778 1010 CB -10.4365 17.6692 1.5416 C.3 67 ALA90 -0.0411 1011 HB1 -11.3739 17.8436 2.0715 H 67 ALA90 0.0249 1012 HB2 -9.6788 18.3253 1.9705 H 67 ALA90 0.0249 1013 HB3 -10.1355 16.6399 1.7366 H 67 ALA90 0.0249 1014 N -10.0910 20.2880 -0.3830 N.am 68 LYS91 -0.2457 1015 H -9.1170 19.9880 -0.4250 H 68 LYS91 0.1312 1016 CA -10.3970 21.7430 -0.4960 C.3 68 LYS91 0.0878 1017 HA -11.3693 21.8995 -0.0237 H 68 LYS91 0.0557 1018 C -10.5100 22.1710 -1.9300 C.2 68 LYS91 0.2187 1019 O -11.3610 22.9770 -2.2520 O.2 68 LYS91 -0.2778 1020 CB -9.3269 22.5296 0.2834 C.3 68 LYS91 -0.0289 1021 HB1 -8.3859 22.5516 -0.2686 H 68 LYS91 0.0285 1022 HB2 -9.1104 21.9733 1.1961 H 68 LYS91 0.0285 1023 CG -9.7476 23.9531 0.7076 C.3 68 LYS91 -0.0496 1024 HG1 -9.0298 24.2976 1.4540 H 68 LYS91 0.0266 1025 HG2 -10.7072 23.9284 1.2258 H 68 LYS91 0.0266 1026 CD -9.7593 24.9738 -0.4444 C.3 68 LYS91 -0.0278 1027 HD1 -9.1996 24.5497 -1.2728 H 68 LYS91 0.0282 1028 HD2 -9.1983 25.8626 -0.1529 H 68 LYS91 0.0282 1029 CE -11.1629 25.4103 -0.9042 C.3 68 LYS91 0.1103 1030 HE1 -11.4526 26.3426 -0.4148 H 68 LYS91 0.0559 1031 HE2 -11.9137 24.6684 -0.6243 H 68 LYS91 0.0559 1032 NZ -11.2419 25.5964 -2.3564 N.4 68 LYS91 -0.0749 1033 HZ1 -12.2072 25.8638 -2.6354 H 68 LYS91 0.2742 1034 HZ2 -10.9948 24.7012 -2.8313 H 68 LYS91 0.2742 1035 HZ3 -10.5671 26.3236 -2.6692 H 68 LYS91 0.2742 1036 N -9.6710 21.6290 -2.8130 N.am 69 HIS92 -0.2453 1037 H -9.0910 20.8300 -2.5550 H 69 HIS92 0.1312 1038 CA -9.5960 22.1930 -4.1450 C.3 69 HIS92 0.0932 1039 HA -10.3147 23.0017 -4.2779 H 69 HIS92 0.0561 1040 C -9.9280 21.1810 -5.2780 C.2 69 HIS92 0.2190 1041 O -9.8520 21.5040 -6.4270 O.2 69 HIS92 -0.2778 1042 CB -8.1779 22.7406 -4.3974 C.3 69 HIS92 0.0146 1043 HB1 -7.4259 22.0189 -4.0791 H 69 HIS92 0.0348 1044 HB2 -8.0065 22.9258 -5.4596 H 69 HIS92 0.0348 1045 CG -7.9291 24.0543 -3.6909 C.ar 69 HIS92 0.0551 1046 ND1 -8.7592 25.1272 -3.7335 N.ar 69 HIS92 -0.2469 1047 CD2 -6.7260 24.4545 -3.0864 C.ar 69 HIS92 0.0047 1048 HD2 -5.8420 23.8452 -2.9601 H 69 HIS92 0.0764 1049 CE1 -8.0427 26.1593 -3.2456 C.ar 69 HIS92 0.0737 1050 HE1 -8.3711 27.1900 -3.2326 H 69 HIS92 0.0963 1051 NE2 -6.8448 25.7656 -2.7814 N.ar 69 HIS92 -0.2539 1052 HE2 -6.1472 26.3418 -2.4008 H 69 HIS92 0.1339 1053 N -10.2910 19.9340 -4.9230 N.am 70 PHE93 -0.2453 1054 H -10.2650 19.6810 -3.9350 H 70 PHE93 0.1312 1055 CA -10.7310 18.9020 -5.9130 C.3 70 PHE93 0.0917 1056 HA -10.9185 18.0237 -5.2957 H 70 PHE93 0.0560 1057 C -9.5140 18.5860 -6.8770 C.2 70 PHE93 0.2190 1058 O -9.7170 18.4210 -8.1050 O.2 70 PHE93 -0.2778 1059 CB -12.0085 19.3520 -6.6506 C.3 70 PHE93 -0.0036 1060 HB1 -12.6203 19.9270 -5.9556 H 70 PHE93 0.0333 1061 HB2 -11.7567 20.0315 -7.4651 H 70 PHE93 0.0333 1062 CG -12.8843 18.2412 -7.1875 C.ar 70 PHE93 -0.0454 1063 CD1 -12.5029 16.8975 -7.1710 C.ar 70 PHE93 -0.0585 1064 HD1 -11.5396 16.5848 -6.7964 H 70 PHE93 0.0620 1065 CD2 -14.1327 18.5678 -7.7108 C.ar 70 PHE93 -0.0585 1066 HD2 -14.4529 19.5982 -7.7248 H 70 PHE93 0.0620 1067 CE1 -13.3456 15.9138 -7.6713 C.ar 70 PHE93 -0.0615 1068 HE1 -13.0286 14.8805 -7.6588 H 70 PHE93 0.0618 1069 CE2 -14.9778 17.5859 -8.2116 C.ar 70 PHE93 -0.0615 1070 HE2 -15.9463 17.8524 -8.6075 H 70 PHE93 0.0618 1071 CZ -14.5837 16.2562 -8.1927 C.ar 70 PHE93 -0.0617 1072 HZ -15.2362 15.4861 -8.5772 H 70 PHE93 0.0618 1073 N -8.3340 18.5470 -6.2960 N.am 71 ILE94 -0.2454 1074 H -8.2540 18.7300 -5.2960 H 71 ILE94 0.1312 1075 CA -7.1110 18.2360 -7.0940 C.3 71 ILE94 0.0903 1076 HA -7.3381 18.3787 -8.1510 H 71 ILE94 0.0560 1077 C -6.7610 16.7800 -6.8650 C.2 71 ILE94 0.2189 1078 O -6.8260 16.2550 -5.7220 O.2 71 ILE94 -0.2778 1079 CB -5.9426 19.1626 -6.6981 C.3 71 ILE94 -0.0201 1080 HB -5.6586 18.9124 -5.6758 H 71 ILE94 0.0318 1081 CG1 -6.3504 20.6473 -6.6897 C.3 71 ILE94 -0.0514 1082 HG11 -5.4927 21.2590 -6.4097 H 71 ILE94 0.0266 1083 HG12 -7.0921 20.8017 -5.9107 H 71 ILE94 0.0266 1084 CG2 -4.7043 18.9377 -7.5855 C.3 71 ILE94 -0.0605 1085 HG21 -3.8950 19.6156 -7.3141 H 71 ILE94 0.0233 1086 HG22 -4.9366 19.0988 -8.6387 H 71 ILE94 0.0233 1087 HG23 -4.3227 17.9206 -7.4897 H 71 ILE94 0.0233 1088 CD1 -6.9239 21.1554 -8.0193 C.3 71 ILE94 -0.0650 1089 HD11 -7.1842 22.2108 -7.9458 H 71 ILE94 0.0230 1090 HD12 -7.8348 20.6224 -8.2901 H 71 ILE94 0.0230 1091 HD13 -6.2117 21.0440 -8.8367 H 71 ILE94 0.0230 1092 N -6.5330 16.0880 -7.9530 N.am 72 ASP95 -0.2451 1093 H -6.5700 16.5180 -8.8770 H 72 ASP95 0.1312 1094 CA -6.2310 14.7070 -7.7860 C.3 72 ASP95 0.0974 1095 HA -6.0068 14.4702 -6.7440 H 72 ASP95 0.0563 1096 C -4.9410 14.4340 -8.5090 C.2 72 ASP95 0.2192 1097 O -4.4220 15.2870 -9.2090 O.2 72 ASP95 -0.2778 1098 CB -7.3793 13.8090 -8.2670 C.3 72 ASP95 0.0576 1099 HB1 -8.3270 14.1681 -7.8705 H 72 ASP95 0.0394 1100 HB2 -7.4526 13.8281 -9.3531 H 72 ASP95 0.0394 1101 CG -7.2169 12.3507 -7.7951 C.2 72 ASP95 0.1780 1102 OD1 -6.6084 12.1184 -6.7461 O.co2 72 ASP95 -0.6478 1103 OD2 -7.7029 11.4628 -8.4886 O.co2 72 ASP95 -0.6478 1104 N -4.2670 13.2960 -8.3100 N.am 73 VAL96 -0.2454 1105 H -4.6870 12.6090 -7.6840 H 73 VAL96 0.1312 1106 CA -3.0270 12.9650 -8.8900 C.3 73 VAL96 0.0901 1107 HA -2.6644 13.8059 -9.4807 H 73 VAL96 0.0560 1108 C -3.2620 11.7960 -9.8190 C.2 73 VAL96 0.2187 1109 O -3.7330 10.7260 -9.4200 O.2 73 VAL96 -0.2778 1110 CB -1.9933 12.6309 -7.7910 C.3 73 VAL96 -0.0227 1111 HB -2.3981 11.8282 -7.1719 H 73 VAL96 0.0315 1112 CG1 -0.6545 12.1420 -8.3718 C.3 73 VAL96 -0.0608 1113 HG11 0.0629 11.9421 -7.5764 H 73 VAL96 0.0233 1114 HG12 -0.2187 12.8855 -9.0400 H 73 VAL96 0.0233 1115 HG13 -0.7737 11.2153 -8.9330 H 73 VAL96 0.0233 1116 CG2 -1.7442 13.8428 -6.8819 C.3 73 VAL96 -0.0608 1117 HG21 -0.9696 13.6236 -6.1476 H 73 VAL96 0.0233 1118 HG22 -2.6477 14.1291 -6.3430 H 73 VAL96 0.0233 1119 HG23 -1.4130 14.7046 -7.4607 H 73 VAL96 0.0233 1120 N -2.8350 11.9110 -11.0500 N.am 74 GLY97 -0.2485 1121 H -2.3940 12.7850 -11.3380 H 74 GLY97 0.1309 1122 CA -2.9660 10.8350 -12.0270 C.3 74 GLY97 0.0765 1123 HA1 -3.2383 11.2986 -12.9705 H 74 GLY97 0.0521 1124 HA2 -3.7347 10.1198 -11.7284 H 74 GLY97 0.0521 1125 C -1.5700 10.1510 -12.1790 C.2 74 GLY97 0.2155 1126 O -0.5830 10.5280 -11.4800 O.2 74 GLY97 -0.2781 1127 N -1.5450 9.1260 -12.9890 N.am 75 ALA98 -0.2462 1128 H -2.4020 8.8840 -13.4870 H 75 ALA98 0.1311 1129 CA -0.3530 8.3050 -13.2210 C.3 75 ALA98 0.0850 1130 HA -0.6915 7.4391 -13.7891 H 75 ALA98 0.0554 1131 C 0.1540 7.7960 -11.8340 C.2 75 ALA98 0.2182 1132 O -0.6460 7.1980 -11.0780 O.2 75 ALA98 -0.2778 1133 CB 0.6933 9.0992 -14.0268 C.3 75 ALA98 -0.0411 1134 HB1 1.5666 8.4885 -14.2577 H 75 ALA98 0.0249 1135 HB2 1.0357 9.9843 -13.4886 H 75 ALA98 0.0249 1136 HB3 0.2722 9.4386 -14.9730 H 75 ALA98 0.0249 1137 N 1.4080 8.1530 -11.5090 N.am 76 GLY99 -0.2485 1138 H 2.0480 8.5290 -12.2080 H 76 GLY99 0.1309 1139 CA 1.8370 7.9770 -10.0660 C.3 76 GLY99 0.0765 1140 HA1 0.9684 7.9154 -9.4079 H 76 GLY99 0.0521 1141 HA2 2.3693 8.8886 -9.8247 H 76 GLY99 0.0521 1142 C 2.7630 6.8290 -9.8100 C.2 76 GLY99 0.2155 1143 O 3.2900 6.7830 -8.7300 O.2 76 GLY99 -0.2781 1144 N 2.9900 5.9670 -10.7750 N.am 77 VAL100 -0.2456 1145 H 2.5800 6.1120 -11.6980 H 77 VAL100 0.1312 1146 CA 3.8430 4.7850 -10.5170 C.3 77 VAL100 0.0901 1147 HA 3.9162 4.6064 -9.4434 H 77 VAL100 0.0560 1148 C 5.2150 5.0630 -11.0500 C.2 77 VAL100 0.2189 1149 O 5.4550 5.0250 -12.2480 O.2 77 VAL100 -0.2778 1150 CB 3.2097 3.5496 -11.1940 C.3 77 VAL100 -0.0227 1151 HB 3.0992 3.7629 -12.2585 H 77 VAL100 0.0315 1152 CG1 4.0846 2.2893 -11.0688 C.3 77 VAL100 -0.0608 1153 HG11 5.0636 2.4230 -11.5311 H 77 VAL100 0.0233 1154 HG12 3.6149 1.4384 -11.5623 H 77 VAL100 0.0233 1155 HG13 4.2433 2.0174 -10.0267 H 77 VAL100 0.0233 1156 CG2 1.8077 3.2700 -10.6302 C.3 77 VAL100 -0.0608 1157 HG21 1.3632 2.3972 -11.1088 H 77 VAL100 0.0233 1158 HG22 1.1305 4.1087 -10.7917 H 77 VAL100 0.0233 1159 HG23 1.8488 3.0747 -9.5582 H 77 VAL100 0.0233 1160 N 6.1710 5.3350 -10.1290 N.am 78 ILE101 -0.2454 1161 H 5.9360 5.3770 -9.1370 H 78 ILE101 0.1312 1162 CA 7.5790 5.5740 -10.5880 C.3 78 ILE101 0.0903 1163 HA 7.5909 5.8173 -11.6526 H 78 ILE101 0.0560 1164 C 8.3300 4.2770 -10.3440 C.2 78 ILE101 0.2189 1165 O 8.4340 3.7810 -9.1890 O.2 78 ILE101 -0.2778 1166 CB 8.2503 6.7017 -9.7674 C.3 78 ILE101 -0.0201 1167 HB 8.2566 6.4066 -8.7168 H 78 ILE101 0.0318 1168 CG1 7.4686 8.0212 -9.8694 C.3 78 ILE101 -0.0514 1169 HG11 6.4213 7.8524 -9.6196 H 78 ILE101 0.0266 1170 HG12 7.4840 8.3622 -10.9004 H 78 ILE101 0.0266 1171 CG2 9.7120 6.8987 -10.2141 C.3 78 ILE101 -0.0605 1172 HG21 10.2166 7.6829 -9.6545 H 78 ILE101 0.0233 1173 HG22 9.7533 7.1608 -11.2708 H 78 ILE101 0.0233 1174 HG23 10.3028 5.9941 -10.0718 H 78 ILE101 0.0233 1175 CD1 8.0121 9.1281 -8.9568 C.3 78 ILE101 -0.0650 1176 HD11 7.4071 10.0272 -9.0460 H 78 ILE101 0.0230 1177 HD12 9.0306 9.4133 -9.2159 H 78 ILE101 0.0230 1178 HD13 7.9997 8.8154 -7.9130 H 78 ILE101 0.0230 1179 N 8.7880 3.6720 -11.4060 N.am 79 ASP102 -0.2451 1180 H 8.6730 4.0760 -12.3360 H 79 ASP102 0.1312 1181 CA 9.4830 2.3730 -11.2110 C.3 79 ASP102 0.0974 1182 HA 8.8085 1.7064 -10.6700 H 79 ASP102 0.0563 1183 C 10.7930 2.5960 -10.4200 C.2 79 ASP102 0.2192 1184 O 11.4500 3.6460 -10.5740 O.2 79 ASP102 -0.2778 1185 CB 9.8255 1.7933 -12.5930 C.3 79 ASP102 0.0576 1186 HB1 10.6645 2.3222 -13.0465 H 79 ASP102 0.0394 1187 HB2 10.1055 0.7428 -12.5221 H 79 ASP102 0.0394 1188 CG 8.6271 1.9300 -13.5402 C.2 79 ASP102 0.1780 1189 OD1 7.7689 1.0531 -13.5325 O.co2 79 ASP102 -0.6478 1190 OD2 8.5699 2.9214 -14.2679 O.co2 79 ASP102 -0.6478 1191 N 11.2170 1.5500 -9.6550 N.am 80 GLU103 -0.2456 1192 H 10.6690 0.6900 -9.6790 H 80 GLU103 0.1312 1193 CA 12.3970 1.5780 -8.8080 C.3 80 GLU103 0.0883 1194 HA 12.2001 2.2966 -8.0152 H 80 GLU103 0.0557 1195 C 13.6220 2.0090 -9.6040 C.2 80 GLU103 0.2187 1196 O 14.4330 2.6970 -9.0230 O.2 80 GLU103 -0.2778 1197 CB 12.5652 0.1576 -8.2199 C.3 80 GLU103 -0.0193 1198 HB1 12.8362 -0.5434 -9.0109 H 80 GLU103 0.0290 1199 HB2 11.5938 -0.1782 -7.8558 H 80 GLU103 0.0290 1200 CG 13.5760 0.0461 -7.0626 C.3 80 GLU103 0.0356 1201 HG1 13.2968 0.7141 -6.2485 H 80 GLU103 0.0374 1202 HG2 14.5719 0.3386 -7.3934 H 80 GLU103 0.0374 1203 CD 13.6429 -1.3870 -6.4907 C.2 80 GLU103 0.1760 1204 OE1 12.6467 -1.8681 -5.9611 O.co2 80 GLU103 -0.6478 1205 OE2 14.6936 -2.0192 -6.5651 O.co2 80 GLU103 -0.6478 1206 N 13.7380 1.6950 -10.8950 N.am 81 ASP104 -0.2451 1207 H 12.9870 1.1600 -11.3300 H 81 ASP104 0.1312 1208 CA 14.9050 2.0830 -11.7370 C.3 81 ASP104 0.0974 1209 HA 15.6399 2.3017 -10.9931 H 81 ASP104 0.0563 1210 C 14.7970 3.3920 -12.5130 C.2 81 ASP104 0.2192 1211 O 15.7460 3.7460 -13.2340 O.2 81 ASP104 -0.2778 1212 CB 15.5701 0.9400 -12.5306 C.3 81 ASP104 0.0576 1213 HB1 15.5379 0.0166 -11.9543 H 81 ASP104 0.0394 1214 HB2 15.0416 0.7542 -13.4652 H 81 ASP104 0.0394 1215 CG 17.0734 1.2410 -12.8312 C.2 81 ASP104 0.1780 1216 OD1 17.5156 0.9843 -13.9432 O.co2 81 ASP104 -0.6478 1217 OD2 17.7952 1.7365 -11.9575 O.co2 81 ASP104 -0.6478 1218 N 13.7470 4.2070 -12.2500 N.am 82 TYR105 -0.2453 1219 H 13.0850 3.9750 -11.5100 H 82 TYR105 0.1312 1220 CA 13.5770 5.4140 -13.0360 C.3 82 TYR105 0.0917 1221 HA 13.7820 5.1713 -14.0812 H 82 TYR105 0.0560 1222 C 14.5500 6.5220 -12.5520 C.2 82 TYR105 0.2190 1223 O 14.6480 6.7960 -11.3440 O.2 82 TYR105 -0.2778 1224 CB 12.1168 5.8585 -12.8690 C.3 82 TYR105 -0.0036 1225 HB1 11.8831 5.9818 -11.8115 H 82 TYR105 0.0333 1226 HB2 11.4454 5.0810 -13.2381 H 82 TYR105 0.0333 1227 CG 11.8323 7.1409 -13.5999 C.ar 82 TYR105 -0.0453 1228 CD1 11.6886 7.1386 -14.9831 C.ar 82 TYR105 -0.0561 1229 HD1 11.7451 6.2087 -15.5316 H 82 TYR105 0.0621 1230 CD2 11.7515 8.3456 -12.9068 C.ar 82 TYR105 -0.0561 1231 HD2 11.8709 8.3629 -11.8332 H 82 TYR105 0.0621 1232 CE1 11.4831 8.3272 -15.6682 C.ar 82 TYR105 -0.0317 1233 HE1 11.3748 8.3254 -16.7432 H 82 TYR105 0.0643 1234 CE2 11.5210 9.5316 -13.5872 C.ar 82 TYR105 -0.0317 1235 HE2 11.4547 10.4647 -13.0473 H 82 TYR105 0.0643 1236 CZ 11.3991 9.5200 -14.9682 C.ar 82 TYR105 0.0726 1237 OH 11.2183 10.7016 -15.6500 O.3 82 TYR105 -0.3598 1238 HH 11.0220 11.3850 -15.0237 H 82 TYR105 0.2173 1239 N 15.2960 7.1100 -13.4770 N.am 83 ARG106 -0.2456 1240 H 15.2010 6.8480 -14.4580 H 83 ARG106 0.1312 1241 CA 16.2760 8.1590 -13.0680 C.3 83 ARG106 0.0879 1242 HA 16.1851 8.3811 -12.0041 H 83 ARG106 0.0557 1243 C 15.9910 9.4660 -13.8190 C.2 83 ARG106 0.2185 1244 O 16.8540 10.3390 -13.8440 O.2 83 ARG106 -0.2778 1245 CB 17.7019 7.6542 -13.3955 C.3 83 ARG106 -0.0258 1246 HB1 18.4389 8.3283 -12.9561 H 83 ARG106 0.0286 1247 HB2 17.8594 7.6991 -14.4745 H 83 ARG106 0.0286 1248 CG 17.9921 6.2063 -12.9479 C.3 83 ARG106 -0.0154 1249 HG1 18.9865 5.9128 -13.2852 H 83 ARG106 0.0299 1250 HG2 17.3110 5.5236 -13.4512 H 83 ARG106 0.0299 1251 CD 17.9063 6.0113 -11.4316 C.3 83 ARG106 0.1045 1252 HD1 17.0319 6.5210 -11.0327 H 83 ARG106 0.0711 1253 HD2 18.7820 6.4383 -10.9394 H 83 ARG106 0.0711 1254 NE 17.8574 4.5880 -11.0813 N.pl3 83 ARG106 -0.4450 1255 HE 18.3284 3.8521 -11.5888 H 83 ARG106 0.3153 1256 CZ 17.1613 4.0860 -10.0697 C.cat 83 ARG106 0.5062 1257 NH1 17.4348 2.8924 -9.6277 N.pl3 83 ARG106 -0.4573 1258 HH11 17.0437 2.5150 -8.7952 H 83 ARG106 0.3114 1259 HH12 18.0378 2.3263 -10.2046 H 83 ARG106 0.3114 1260 NH2 16.1874 4.7496 -9.5144 N.pl3 83 ARG106 -0.4573 1261 HH21 15.6457 4.2872 -8.8163 H 83 ARG106 0.3114 1262 HH22 15.9728 5.6774 -9.8118 H 83 ARG106 0.3114 1263 N 14.8510 9.6020 -14.4730 N.am 84 GLY107 -0.2485 1264 H 14.2060 8.8120 -14.4900 H 84 GLY107 0.1309 1265 CA 14.4600 10.8470 -15.1860 C.3 84 GLY107 0.0765 1266 HA1 13.7163 10.5860 -15.9364 H 84 GLY107 0.0521 1267 HA2 15.3391 11.2504 -15.6903 H 84 GLY107 0.0521 1268 C 13.9130 11.8590 -14.2040 C.2 84 GLY107 0.2155 1269 O 13.8650 11.6450 -12.9730 O.2 84 GLY107 -0.2781 1270 N 13.4680 12.9650 -14.7730 N.am 85 ASN108 -0.2454 1271 H 13.5830 13.0500 -15.7830 H 85 ASN108 0.1312 1272 CA 12.8150 14.0950 -14.0660 C.3 85 ASN108 0.0957 1273 HA 13.4615 14.3758 -13.2350 H 85 ASN108 0.0562 1274 C 11.4670 13.5870 -13.5160 C.2 85 ASN108 0.2191 1275 O 10.6070 13.1010 -14.3230 O.2 85 ASN108 -0.2778 1276 CB 12.6265 15.2504 -15.0648 C.3 85 ASN108 0.0446 1277 HB1 11.8859 14.9920 -15.8219 H 85 ASN108 0.0375 1278 HB2 13.5659 15.4219 -15.5904 H 85 ASN108 0.0375 1279 CG 12.2024 16.5704 -14.3988 C.2 85 ASN108 0.2000 1280 OD1 11.3760 16.6120 -13.4994 O.2 85 ASN108 -0.2797 1281 ND2 12.8266 17.6486 -14.8983 N.am 85 ASN108 -0.2723 1282 HD21 12.6493 18.5501 -14.4984 H 85 ASN108 0.1266 1283 HD22 13.4827 17.5862 -15.6486 H 85 ASN108 0.1266 1284 N 11.2920 13.6830 -12.1980 N.am 86 VAL109 -0.2454 1285 H 12.0480 14.0180 -11.6010 H 86 VAL109 0.1312 1286 CA 9.9710 13.2930 -11.6010 C.3 86 VAL109 0.0901 1287 HA 9.6891 12.3397 -12.0537 H 86 VAL109 0.0560 1288 C 8.9030 14.3350 -11.9700 C.2 86 VAL109 0.2187 1289 O 8.9600 15.4960 -11.5700 O.2 86 VAL109 -0.2778 1290 CB 10.1228 13.0857 -10.0784 C.3 86 VAL109 -0.0227 1291 HB 10.5355 13.9938 -9.6437 H 86 VAL109 0.0315 1292 CG1 8.7733 12.8127 -9.3926 C.3 86 VAL109 -0.0608 1293 HG11 8.9059 12.5909 -8.3334 H 86 VAL109 0.0233 1294 HG12 8.2667 11.9660 -9.8544 H 86 VAL109 0.0233 1295 HG13 8.1087 13.6746 -9.4603 H 86 VAL109 0.0233 1296 CG2 11.1143 11.9510 -9.7691 C.3 86 VAL109 -0.0608 1297 HG21 11.2251 11.8114 -8.6933 H 86 VAL109 0.0233 1298 HG22 12.1058 12.1605 -10.1711 H 86 VAL109 0.0233 1299 HG23 10.7756 11.0055 -10.1937 H 86 VAL109 0.0233 1300 N 7.8350 13.8350 -12.6300 N.am 87 GLY110 -0.2485 1301 H 7.7890 12.8390 -12.8480 H 87 GLY110 0.1309 1302 CA 6.7440 14.7260 -13.0320 C.3 87 GLY110 0.0765 1303 HA1 7.0005 15.7729 -12.8660 H 87 GLY110 0.0521 1304 HA2 6.5689 14.5671 -14.0952 H 87 GLY110 0.0521 1305 C 5.5050 14.3480 -12.2480 C.2 87 GLY110 0.2155 1306 O 5.3240 13.1410 -11.8890 O.2 87 GLY110 -0.2781 1307 N 4.7010 15.3030 -11.8110 N.am 88 VAL111 -0.2456 1308 H 4.9450 16.2810 -11.9700 H 88 VAL111 0.1312 1309 CA 3.4800 14.9750 -11.1110 C.3 88 VAL111 0.0901 1310 HA 3.4437 13.9126 -10.8614 H 88 VAL111 0.0560 1311 C 2.3390 15.2940 -12.0210 C.2 88 VAL111 0.2189 1312 O 2.2220 16.4450 -12.4930 O.2 88 VAL111 -0.2778 1313 CB 3.3861 15.7998 -9.8086 C.3 88 VAL111 -0.0227 1314 HB 3.3652 16.8590 -10.0697 H 88 VAL111 0.0315 1315 CG1 2.0922 15.4842 -9.0407 C.3 88 VAL111 -0.0608 1316 HG11 2.0139 16.0926 -8.1440 H 88 VAL111 0.0233 1317 HG12 2.0490 14.4386 -8.7390 H 88 VAL111 0.0233 1318 HG13 1.2089 15.6873 -9.6441 H 88 VAL111 0.0233 1319 CG2 4.6107 15.5875 -8.9023 C.3 88 VAL111 -0.0608 1320 HG21 5.5275 15.9364 -9.3783 H 88 VAL111 0.0233 1321 HG22 4.7466 14.5351 -8.6559 H 88 VAL111 0.0233 1322 HG23 4.5047 16.1353 -7.9655 H 88 VAL111 0.0233 1323 N 1.4630 14.3270 -12.2750 N.am 89 VAL112 -0.2454 1324 H 1.5460 13.4040 -11.8490 H 89 VAL112 0.1312 1325 CA 0.3730 14.6530 -13.1980 C.3 89 VAL112 0.0901 1326 HA 0.6484 15.4650 -13.8730 H 89 VAL112 0.0560 1327 C -0.8240 15.0770 -12.3020 C.2 89 VAL112 0.2189 1328 O -1.4140 14.2790 -11.5360 O.2 89 VAL112 -0.2778 1329 CB 0.0208 13.3958 -14.0200 C.3 89 VAL112 -0.0227 1330 HB -0.3226 12.6195 -13.3334 H 89 VAL112 0.0315 1331 CG1 -1.1159 13.6765 -15.0148 C.3 89 VAL112 -0.0608 1332 HG11 -2.0184 14.0092 -14.5020 H 89 VAL112 0.0233 1333 HG12 -1.3741 12.7797 -15.5783 H 89 VAL112 0.0233 1334 HG13 -0.8328 14.4523 -15.7269 H 89 VAL112 0.0233 1335 CG2 1.2499 12.8360 -14.7544 C.3 89 VAL112 -0.0608 1336 HG21 2.0201 12.5077 -14.0562 H 89 VAL112 0.0233 1337 HG22 1.6944 13.5835 -15.4108 H 89 VAL112 0.0233 1338 HG23 0.9824 11.9726 -15.3639 H 89 VAL112 0.0233 1339 N -1.1870 16.3610 -12.3960 N.am 90 LEU113 -0.2456 1340 H -0.7130 16.9750 -13.0590 H 90 LEU113 0.1312 1341 CA -2.2550 16.8880 -11.5570 C.3 90 LEU113 0.0880 1342 HA -2.4652 16.1976 -10.7380 H 90 LEU113 0.0557 1343 C -3.4970 17.0260 -12.3680 C.2 90 LEU113 0.2187 1344 O -3.4570 17.5190 -13.5370 O.2 90 LEU113 -0.2778 1345 CB -1.8775 18.2674 -10.9879 C.3 90 LEU113 -0.0266 1346 HB1 -2.7374 18.6862 -10.4609 H 90 LEU113 0.0287 1347 HB2 -1.6672 18.9471 -11.8151 H 90 LEU113 0.0287 1348 CG -0.6768 18.2701 -10.0260 C.3 90 LEU113 -0.0449 1349 HG 0.2068 17.9481 -10.5799 H 90 LEU113 0.0296 1350 CD1 -0.4269 19.6946 -9.5139 C.3 90 LEU113 -0.0626 1351 HD11 -0.4409 20.4161 -10.3294 H 90 LEU113 0.0232 1352 HD12 0.5390 19.7689 -9.0157 H 90 LEU113 0.0232 1353 HD13 -1.1972 19.9956 -8.8036 H 90 LEU113 0.0232 1354 CD2 -0.8783 17.3174 -8.8378 C.3 90 LEU113 -0.0626 1355 HD21 -0.0462 17.3848 -8.1366 H 90 LEU113 0.0232 1356 HD22 -0.9455 16.2792 -9.1616 H 90 LEU113 0.0232 1357 HD23 -1.7923 17.5534 -8.2920 H 90 LEU113 0.0232 1358 N -4.6410 16.6350 -11.7650 N.am 91 PHE114 -0.2453 1359 H -4.6100 16.2390 -10.8250 H 91 PHE114 0.1312 1360 CA -5.8960 16.7740 -12.4400 C.3 91 PHE114 0.0917 1361 HA -5.7821 17.1531 -13.4558 H 91 PHE114 0.0560 1362 C -6.6860 17.8310 -11.5980 C.2 91 PHE114 0.2190 1363 O -6.7830 17.7040 -10.4210 O.2 91 PHE114 -0.2778 1364 CB -6.6716 15.4463 -12.3843 C.3 91 PHE114 -0.0036 1365 HB1 -7.6779 15.6042 -12.7707 H 91 PHE114 0.0333 1366 HB2 -6.7867 15.1339 -11.3441 H 91 PHE114 0.0333 1367 CG -6.0674 14.3010 -13.1598 C.ar 91 PHE114 -0.0454 1368 CD1 -5.2766 14.5030 -14.2888 C.ar 91 PHE114 -0.0585 1369 HD1 -5.0062 15.4995 -14.5952 H 91 PHE114 0.0620 1370 CD2 -6.3704 12.9954 -12.7838 C.ar 91 PHE114 -0.0585 1371 HD2 -6.9717 12.8112 -11.9033 H 91 PHE114 0.0620 1372 CE1 -4.8280 13.4277 -15.0441 C.ar 91 PHE114 -0.0615 1373 HE1 -4.2184 13.6013 -15.9181 H 91 PHE114 0.0618 1374 CE2 -5.9305 11.9179 -13.5396 C.ar 91 PHE114 -0.0615 1375 HE2 -6.1818 10.9133 -13.2311 H 91 PHE114 0.0618 1376 CZ -5.1679 12.1335 -14.6787 C.ar 91 PHE114 -0.0617 1377 HZ -4.8218 11.2936 -15.2623 H 91 PHE114 0.0618 1378 N -7.2160 18.8590 -12.2550 N.am 92 ASN115 -0.2452 1379 H -7.0440 18.9740 -13.2540 H 92 ASN115 0.1312 1380 CA -8.0520 19.8300 -11.5300 C.3 92 ASN115 0.0957 1381 HA -7.9397 19.7067 -10.4507 H 92 ASN115 0.0562 1382 C -9.4970 19.5770 -11.9140 C.2 92 ASN115 0.2191 1383 O -9.9310 19.9010 -13.0350 O.2 92 ASN115 -0.2778 1384 CB -7.6302 21.2499 -11.9480 C.3 92 ASN115 0.0446 1385 HB1 -7.7221 21.3749 -13.0282 H 92 ASN115 0.0375 1386 HB2 -6.5837 21.4173 -11.6956 H 92 ASN115 0.0375 1387 CG -8.4672 22.3337 -11.2471 C.2 92 ASN115 0.2000 1388 OD1 -9.0700 22.1169 -10.2041 O.2 92 ASN115 -0.2797 1389 ND2 -8.4675 23.5086 -11.8879 N.am 92 ASN115 -0.2723 1390 HD21 -7.9834 23.6277 -12.7557 H 92 ASN115 0.1266 1391 HD22 -8.9625 24.2853 -11.4996 H 92 ASN115 0.1266 1392 N -10.2760 18.9690 -11.0140 N.am 93 PHE116 -0.2453 1393 H -9.9110 18.7140 -10.0960 H 93 PHE116 0.1312 1394 CA -11.6620 18.6770 -11.3730 C.3 93 PHE116 0.0917 1395 HA -11.7800 18.6448 -12.4566 H 93 PHE116 0.0560 1396 C -12.5820 19.7720 -10.8320 C.2 93 PHE116 0.2188 1397 O -13.8120 19.6300 -10.8440 O.2 93 PHE116 -0.2778 1398 CB -12.0426 17.3187 -10.7691 C.3 93 PHE116 -0.0036 1399 HB1 -11.8702 17.3587 -9.6971 H 93 PHE116 0.0333 1400 HB2 -13.1025 17.1073 -10.9131 H 93 PHE116 0.0333 1401 CG -11.2603 16.1620 -11.3367 C.ar 93 PHE116 -0.0454 1402 CD1 -11.2354 15.9179 -12.7080 C.ar 93 PHE116 -0.0585 1403 HD1 -11.7407 16.5825 -13.3907 H 93 PHE116 0.0620 1404 CD2 -10.6044 15.2756 -10.4852 C.ar 93 PHE116 -0.0585 1405 HD2 -10.6106 15.4348 -9.4162 H 93 PHE116 0.0620 1406 CE1 -10.5713 14.8102 -13.2181 C.ar 93 PHE116 -0.0615 1407 HE1 -10.5535 14.6299 -14.2826 H 93 PHE116 0.0618 1408 CE2 -9.9537 14.1587 -10.9918 C.ar 93 PHE116 -0.0615 1409 HE2 -9.4667 13.4632 -10.3217 H 93 PHE116 0.0618 1410 CZ -9.9391 13.9238 -12.3585 C.ar 93 PHE116 -0.0617 1411 HZ -9.4284 13.0546 -12.7472 H 93 PHE116 0.0618 1412 N -11.9740 20.8100 -10.2850 N.am 94 GLY117 -0.2485 1413 H -10.9540 20.8290 -10.2950 H 94 GLY117 0.1309 1414 CA -12.6870 21.9510 -9.6560 C.3 94 GLY117 0.0765 1415 HA1 -11.9378 22.5356 -9.1200 H 94 GLY117 0.0521 1416 HA2 -13.4192 21.5603 -8.9487 H 94 GLY117 0.0521 1417 C -13.3410 22.8060 -10.7260 C.2 94 GLY117 0.2155 1418 O -13.0750 22.6790 -11.9470 O.2 94 GLY117 -0.2781 1419 N -14.1980 23.7170 -10.2800 N.am 95 LYS118 -0.2459 1420 H -14.4140 23.8110 -9.2880 H 95 LYS118 0.1312 1421 CA -14.8240 24.5910 -11.3030 C.3 95 LYS118 0.0878 1422 HA -14.8316 24.0901 -12.2694 H 95 LYS118 0.0557 1423 C -13.9510 25.8370 -11.5170 C.2 95 LYS118 0.2187 1424 O -14.1770 26.5940 -12.4840 O.2 95 LYS118 -0.2778 1425 CB -16.2799 24.8504 -10.9018 C.3 95 LYS118 -0.0289 1426 HB1 -16.3031 25.3512 -9.9341 H 95 LYS118 0.0285 1427 HB2 -16.7509 25.5358 -11.6071 H 95 LYS118 0.0285 1428 CG -17.0881 23.5367 -10.8182 C.3 95 LYS118 -0.0496 1429 HG1 -16.6562 22.8740 -10.0667 H 95 LYS118 0.0266 1430 HG2 -18.0854 23.7638 -10.4385 H 95 LYS118 0.0266 1431 CD -17.2389 22.8095 -12.1749 C.3 95 LYS118 -0.0278 1432 HD1 -16.7045 23.3282 -12.9708 H 95 LYS118 0.0282 1433 HD2 -18.2866 22.8621 -12.4716 H 95 LYS118 0.0282 1434 CE -16.8031 21.3345 -12.1557 C.3 95 LYS118 0.1103 1435 HE1 -17.1546 20.8286 -13.0585 H 95 LYS118 0.0559 1436 HE2 -17.2426 20.8066 -11.3068 H 95 LYS118 0.0559 1437 NZ -15.3524 21.1720 -12.1001 N.4 95 LYS118 -0.0749 1438 HZ1 -15.0852 20.1643 -12.1526 H 95 LYS118 0.2742 1439 HZ2 -14.9823 21.5411 -11.2028 H 95 LYS118 0.2742 1440 HZ3 -14.8866 21.6796 -12.8813 H 95 LYS118 0.2742 1441 N -12.9940 26.0970 -10.6210 N.am 96 GLU119 -0.2456 1442 H -12.8840 25.4760 -9.8200 H 96 GLU119 0.1312 1443 CA -12.0800 27.2720 -10.7590 C.3 96 GLU119 0.0883 1444 HA -12.4446 27.9121 -11.5651 H 96 GLU119 0.0557 1445 C -10.6810 26.7910 -11.1440 C.2 96 GLU119 0.2187 1446 O -10.3320 25.6480 -10.7860 O.2 96 GLU119 -0.2778 1447 CB -12.0851 28.0489 -9.4255 C.3 96 GLU119 -0.0193 1448 HB1 -12.8314 27.6092 -8.7637 H 96 GLU119 0.0290 1449 HB2 -11.1386 27.9453 -8.8912 H 96 GLU119 0.0290 1450 CG -12.4400 29.5356 -9.5856 C.3 96 GLU119 0.0356 1451 HG1 -12.6811 29.9669 -8.6141 H 96 GLU119 0.0374 1452 HG2 -13.3209 29.6656 -10.2141 H 96 GLU119 0.0374 1453 CD -11.2748 30.3349 -10.1782 C.2 96 GLU119 0.1760 1454 OE1 -10.4759 30.8745 -9.4191 O.co2 96 GLU119 -0.6478 1455 OE2 -11.1522 30.4340 -11.3975 O.co2 96 GLU119 -0.6478 1456 N -9.9180 27.6610 -11.8100 N.am 97 LYS120 -0.2457 1457 H -10.3240 28.5360 -12.1410 H 97 LYS120 0.1312 1458 CA -8.4690 27.3680 -12.0780 C.3 97 LYS120 0.0878 1459 HA -8.4519 26.4588 -12.6805 H 97 LYS120 0.0557 1460 C -7.6840 27.1230 -10.8110 C.2 97 LYS120 0.2187 1461 O -7.9940 27.6560 -9.7160 O.2 97 LYS120 -0.2778 1462 CB -7.8801 28.5435 -12.8726 C.3 97 LYS120 -0.0289 1463 HB1 -8.4966 28.6818 -13.7609 H 97 LYS120 0.0285 1464 HB2 -6.8814 28.2996 -13.2371 H 97 LYS120 0.0285 1465 CG -7.8390 29.8502 -12.0596 C.3 97 LYS120 -0.0496 1466 HG1 -6.9111 29.9045 -11.4890 H 97 LYS120 0.0266 1467 HG2 -8.6326 29.8308 -11.3142 H 97 LYS120 0.0266 1468 CD -8.0135 31.1045 -12.9258 C.3 97 LYS120 -0.0278 1469 HD1 -7.1420 31.2319 -13.5682 H 97 LYS120 0.0282 1470 HD2 -8.8691 30.9676 -13.5884 H 97 LYS120 0.0282 1471 CE -8.2441 32.3666 -12.0856 C.3 97 LYS120 0.1103 1472 HE1 -8.3842 33.2345 -12.7317 H 97 LYS120 0.0559 1473 HE2 -7.3854 32.5645 -11.4417 H 97 LYS120 0.0559 1474 NZ -9.4242 32.2363 -11.2391 N.4 97 LYS120 -0.0749 1475 HZ1 -9.6209 33.0728 -10.6636 H 97 LYS120 0.2742 1476 HZ2 -9.3293 31.4217 -10.5927 H 97 LYS120 0.2742 1477 HZ3 -10.2731 31.9623 -11.7801 H 97 LYS120 0.2742 1478 N -6.6370 26.2670 -10.9230 N.am 98 PHE121 -0.2453 1479 H -6.4310 25.8060 -11.8090 H 98 PHE121 0.1312 1480 CA -5.8440 26.0320 -9.7890 C.3 98 PHE121 0.0917 1481 HA -6.1826 26.5832 -8.9095 H 98 PHE121 0.0560 1482 C -4.4180 26.5140 -10.1670 C.2 98 PHE121 0.2190 1483 O -3.8340 26.1100 -11.1740 O.2 98 PHE121 -0.2778 1484 CB -5.8707 24.5176 -9.5131 C.3 98 PHE121 -0.0036 1485 HB1 -5.6833 23.9687 -10.4376 H 98 PHE121 0.0333 1486 HB2 -6.8703 24.2245 -9.1901 H 98 PHE121 0.0333 1487 CG -4.8765 24.0835 -8.4661 C.ar 98 PHE121 -0.0454 1488 CD1 -4.9529 24.5736 -7.1654 C.ar 98 PHE121 -0.0585 1489 HD1 -5.7330 25.2704 -6.8954 H 98 PHE121 0.0620 1490 CD2 -3.8659 23.1812 -8.7876 C.ar 98 PHE121 -0.0585 1491 HD2 -3.7989 22.7827 -9.7883 H 98 PHE121 0.0620 1492 CE1 -4.0222 24.1863 -6.2097 C.ar 98 PHE121 -0.0615 1493 HE1 -4.0751 24.5903 -5.2092 H 98 PHE121 0.0618 1494 CE2 -2.9424 22.7822 -7.8305 C.ar 98 PHE121 -0.0615 1495 HE2 -2.1641 22.0800 -8.0901 H 98 PHE121 0.0618 1496 CZ -3.0148 23.2917 -6.5423 C.ar 98 PHE121 -0.0617 1497 HZ -2.2852 22.9974 -5.8009 H 98 PHE121 0.0618 1498 N -3.8590 27.3450 -9.3240 N.am 99 GLU122 -0.2451 1499 H -4.3570 27.6060 -8.4730 H 99 GLU122 0.1312 1500 CA -2.5220 27.9090 -9.5850 C.3 99 GLU122 0.1015 1501 HA -2.3052 27.8380 -10.6544 H 99 GLU122 0.0562 1502 C -1.5130 27.0950 -8.7950 C.2 99 GLU122 0.3354 1503 O -1.6280 26.9550 -7.5020 O.2 99 GLU122 -0.2638 1504 CB -2.5451 29.3827 -9.1372 C.3 99 GLU122 -0.0188 1505 HB1 -1.7873 29.5961 -8.3805 H 99 GLU122 0.0290 1506 HB2 -3.4978 29.6155 -8.6615 H 99 GLU122 0.0290 1507 CG -2.3494 30.3322 -10.3244 C.3 99 GLU122 0.0356 1508 HG1 -2.5151 31.3645 -10.0149 H 99 GLU122 0.0374 1509 HG2 -3.0628 30.1183 -11.1207 H 99 GLU122 0.0374 1510 CD -0.9345 30.2354 -10.9063 C.2 99 GLU122 0.1760 1511 OE1 -0.1719 29.3381 -10.5450 O.co2 99 GLU122 -0.6478 1512 OE2 -0.5891 31.0801 -11.7206 O.co2 99 GLU122 -0.6478 1513 N -0.5270 26.5710 -9.5010 N.am 100 VAL123 0.0041 1514 H1 -0.6061 26.5312 -10.6175 H 100 VAL123 0.0000 1515 CA 0.6920 26.0310 -8.8270 C.3 100 VAL123 0.2060 1516 HA 0.4913 25.8195 -7.7723 H 100 VAL123 0.0702 1517 C 1.7330 27.1100 -8.9300 C.2 100 VAL123 0.2326 1518 O 2.0230 27.5900 -10.0220 O.2 100 VAL123 -0.2772 1519 CB 1.2066 24.7530 -9.5281 C.3 100 VAL123 -0.0094 1520 HB 1.3838 24.9859 -10.5781 H 100 VAL123 0.0320 1521 CG1 2.5404 24.2537 -8.9446 C.3 100 VAL123 -0.0603 1522 HG11 2.8491 23.3219 -9.4191 H 100 VAL123 0.0233 1523 HG12 2.4604 24.0739 -7.8719 H 100 VAL123 0.0233 1524 HG13 3.3477 24.9712 -9.0984 H 100 VAL123 0.0233 1525 CG2 0.1609 23.6299 -9.4709 C.3 100 VAL123 -0.0603 1526 HG21 0.5145 22.7411 -9.9946 H 100 VAL123 0.0233 1527 HG22 -0.7809 23.9269 -9.9328 H 100 VAL123 0.0233 1528 HG23 -0.0449 23.3432 -8.4388 H 100 VAL123 0.0233 1529 N 2.2650 27.5380 -7.8100 N.am 101 LYS124 -0.2452 1530 H 1.8840 27.2590 -6.9060 H 101 LYS124 0.1312 1531 CA 3.4520 28.4500 -7.9010 C.3 101 LYS124 0.0878 1532 HA 3.5526 28.8332 -8.9107 H 101 LYS124 0.0557 1533 C 4.7310 27.6320 -7.8390 C.2 101 LYS124 0.2187 1534 O 4.7660 26.5870 -7.1300 O.2 101 LYS124 -0.2778 1535 CB 3.3427 29.5978 -6.8706 C.3 101 LYS124 -0.0289 1536 HB1 4.3060 30.1056 -6.8086 H 101 LYS124 0.0285 1537 HB2 3.1459 29.1980 -5.8741 H 101 LYS124 0.0285 1538 CG 2.2660 30.6391 -7.2627 C.3 101 LYS124 -0.0496 1539 HG1 1.2764 30.2811 -6.9762 H 101 LYS124 0.0266 1540 HG2 2.4361 31.5734 -6.7269 H 101 LYS124 0.0266 1541 CD 2.3167 30.8504 -8.7763 C.3 101 LYS124 -0.0278 1542 HD1 3.3620 30.9578 -9.0547 H 101 LYS124 0.0282 1543 HD2 1.9314 29.9402 -9.2303 H 101 LYS124 0.0282 1544 CE 1.5330 31.9550 -9.4496 C.3 101 LYS124 0.1103 1545 HE1 0.4814 31.9426 -9.1566 H 101 LYS124 0.0559 1546 HE2 1.9542 32.9438 -9.2642 H 101 LYS124 0.0559 1547 NZ 1.6328 31.6323 -10.8723 N.4 101 LYS124 -0.0749 1548 HZ1 1.0458 32.2685 -11.4462 H 101 LYS124 0.2742 1549 HZ2 1.1762 30.6997 -11.0290 H 101 LYS124 0.2742 1550 HZ3 2.6276 31.6023 -11.1852 H 101 LYS124 0.2742 1551 N 5.8110 28.1160 -8.4410 N.am 102 LYS125 -0.2457 1552 H 5.7530 28.9210 -9.0650 H 102 LYS125 0.1312 1553 CA 7.0840 27.4520 -8.1750 C.3 102 LYS125 0.0878 1554 HA 7.0238 26.4427 -8.5874 H 102 LYS125 0.0557 1555 C 7.3020 27.3940 -6.6840 C.2 102 LYS125 0.2185 1556 O 7.0650 28.3900 -5.9110 O.2 102 LYS125 -0.2778 1557 CB 8.1771 28.2771 -8.8823 C.3 102 LYS125 -0.0289 1558 HB1 9.1576 27.8198 -8.7436 H 102 LYS125 0.0285 1559 HB2 7.9754 28.2224 -9.9520 H 102 LYS125 0.0285 1560 CG 8.2095 29.7616 -8.4473 C.3 102 LYS125 -0.0496 1561 HG1 8.8199 29.8721 -7.5504 H 102 LYS125 0.0266 1562 HG2 7.2147 30.0791 -8.1405 H 102 LYS125 0.0266 1563 CD 8.6968 30.7241 -9.5453 C.3 102 LYS125 -0.0278 1564 HD1 8.4456 30.3364 -10.5333 H 102 LYS125 0.0282 1565 HD2 9.7856 30.7784 -9.5186 H 102 LYS125 0.0282 1566 CE 8.0857 32.1285 -9.3940 C.3 102 LYS125 0.1103 1567 HE1 8.5397 32.8192 -10.1063 H 102 LYS125 0.0559 1568 HE2 8.2813 32.5131 -8.3915 H 102 LYS125 0.0559 1569 NZ 6.6374 32.1423 -9.6149 N.4 102 LYS125 -0.0749 1570 HZ1 6.1992 33.0541 -9.4019 H 102 LYS125 0.2742 1571 HZ2 6.1790 31.3709 -9.0861 H 102 LYS125 0.2742 1572 HZ3 6.4019 31.8605 -10.5965 H 102 LYS125 0.2742 1573 N 7.7580 26.2090 -6.2470 N.am 103 GLY126 -0.2485 1574 H 7.9420 25.4690 -6.9250 H 103 GLY126 0.1309 1575 CA 7.9980 25.9480 -4.8370 C.3 103 GLY126 0.0765 1576 HA1 8.4075 26.8525 -4.3851 H 103 GLY126 0.0521 1577 HA2 8.7816 25.1921 -4.8100 H 103 GLY126 0.0521 1578 C 6.8570 25.4570 -3.9860 C.2 103 GLY126 0.2155 1579 O 7.0130 25.1850 -2.7710 O.2 103 GLY126 -0.2781 1580 N 5.6760 25.3390 -4.5580 N.am 104 ASP127 -0.2454 1581 H 5.5720 25.6340 -5.5290 H 104 ASP127 0.1312 1582 CA 4.4750 24.7890 -3.8410 C.3 104 ASP127 0.0974 1583 HA 4.3476 25.2690 -2.8698 H 104 ASP127 0.0563 1584 C 4.5700 23.2670 -3.7500 C.2 104 ASP127 0.2192 1585 O 5.0180 22.6050 -4.6660 O.2 104 ASP127 -0.2778 1586 CB 3.2311 24.9031 -4.7774 C.3 104 ASP127 0.0576 1587 HB1 3.5331 24.7432 -5.8122 H 104 ASP127 0.0394 1588 HB2 2.4875 24.1298 -4.5672 H 104 ASP127 0.0394 1589 CG 2.3975 26.1772 -4.7447 C.2 104 ASP127 0.1780 1590 OD1 2.7899 27.1458 -4.1080 O.co2 104 ASP127 -0.6478 1591 OD2 1.3352 26.1696 -5.3740 O.co2 104 ASP127 -0.6478 1592 N 4.1530 22.7260 -2.6360 N.am 105 ARG128 -0.2456 1593 H 3.8880 23.3350 -1.8610 H 105 ARG128 0.1312 1594 CA 4.0530 21.2760 -2.4620 C.3 105 ARG128 0.0879 1595 HA 4.9384 20.8367 -2.9224 H 105 ARG128 0.0557 1596 C 2.8300 20.7720 -3.1630 C.2 105 ARG128 0.2187 1597 O 1.7330 21.2890 -2.9420 O.2 105 ARG128 -0.2778 1598 CB 4.0818 20.9766 -0.9614 C.3 105 ARG128 -0.0258 1599 HB1 4.1838 19.8995 -0.8128 H 105 ARG128 0.0286 1600 HB2 3.1407 21.2819 -0.5105 H 105 ARG128 0.0286 1601 CG 5.2216 21.7266 -0.2479 C.3 105 ARG128 -0.0154 1602 HG1 4.9664 22.7819 -0.1418 H 105 ARG128 0.0299 1603 HG2 6.1211 21.6824 -0.8602 H 105 ARG128 0.0299 1604 CD 5.5313 21.1307 1.1207 C.3 105 ARG128 0.1045 1605 HD1 6.0202 20.1762 0.9655 H 105 ARG128 0.0711 1606 HD2 4.6261 20.9909 1.7148 H 105 ARG128 0.0711 1607 NE 6.4567 21.9634 1.8801 N.pl3 105 ARG128 -0.4450 1608 HE 6.6896 22.8728 1.5407 H 105 ARG128 0.3153 1609 CZ 7.0117 21.5258 3.0087 C.cat 105 ARG128 0.5062 1610 NH1 6.7523 20.3364 3.4836 N.pl3 105 ARG128 -0.4573 1611 HH11 7.1720 19.9971 4.3180 H 105 ARG128 0.3114 1612 HH12 6.1155 19.7314 2.9908 H 105 ARG128 0.3114 1613 NH2 7.8367 22.3034 3.6548 N.pl3 105 ARG128 -0.4573 1614 HH21 8.2320 22.0048 4.5182 H 105 ARG128 0.3114 1615 HH22 8.0716 23.1930 3.2732 H 105 ARG128 0.3114 1616 N 3.0330 19.8600 -4.1250 N.am 106 ILE129 -0.2454 1617 H 3.9570 19.4760 -4.3220 H 106 ILE129 0.1312 1618 CA 1.8450 19.4490 -4.8750 C.3 106 ILE129 0.0903 1619 HA 0.9464 19.9294 -4.4889 H 106 ILE129 0.0560 1620 C 1.5220 17.9610 -4.7860 C.2 106 ILE129 0.2189 1621 O 0.5590 17.5140 -5.4430 O.2 106 ILE129 -0.2778 1622 CB 1.9597 19.8972 -6.3555 C.3 106 ILE129 -0.0201 1623 HB 0.9629 19.7701 -6.7807 H 106 ILE129 0.0318 1624 CG1 2.8950 19.0462 -7.2443 C.3 106 ILE129 -0.0514 1625 HG11 2.8796 19.4512 -8.2555 H 106 ILE129 0.0266 1626 HG12 2.4946 18.0388 -7.3361 H 106 ILE129 0.0266 1627 CG2 2.2691 21.3969 -6.4924 C.3 106 ILE129 -0.0605 1628 HG21 2.1869 21.7144 -7.5318 H 106 ILE129 0.0233 1629 HG22 3.2771 21.6375 -6.1588 H 106 ILE129 0.0233 1630 HG23 1.5743 22.0009 -5.9078 H 106 ILE129 0.0233 1631 CD1 4.3495 18.9522 -6.7723 C.3 106 ILE129 -0.0650 1632 HD11 4.9800 18.5139 -7.5462 H 106 ILE129 0.0230 1633 HD12 4.4286 18.3123 -5.8958 H 106 ILE129 0.0230 1634 HD13 4.7609 19.9300 -6.5255 H 106 ILE129 0.0230 1635 N 2.3840 17.1570 -4.1720 N.am 107 ALA130 -0.2459 1636 H 3.2500 17.5200 -3.7730 H 107 ALA130 0.1312 1637 CA 2.0350 15.6710 -4.0840 C.3 107 ALA130 0.0850 1638 HA 1.0077 15.5441 -3.7477 H 107 ALA130 0.0554 1639 C 2.9760 15.1600 -3.0320 C.2 107 ALA130 0.2184 1640 O 3.7820 15.9230 -2.5290 O.2 107 ALA130 -0.2778 1641 CB 2.2699 14.9679 -5.4306 C.3 107 ALA130 -0.0411 1642 HB1 2.1615 13.8860 -5.3450 H 107 ALA130 0.0249 1643 HB2 3.2643 15.1781 -5.8262 H 107 ALA130 0.0249 1644 HB3 1.5386 15.2975 -6.1661 H 107 ALA130 0.0249 1645 N 2.8630 13.8930 -2.7340 N.am 108 GLN131 -0.2456 1646 H 2.1050 13.3400 -3.1340 H 108 GLN131 0.1312 1647 CA 3.8560 13.2490 -1.7970 C.3 108 GLN131 0.0882 1648 HA 4.6934 13.9321 -1.6602 H 108 GLN131 0.0557 1649 C 4.4010 11.9710 -2.4400 C.2 108 GLN131 0.2187 1650 O 3.7310 11.3380 -3.2610 O.2 108 GLN131 -0.2778 1651 CB 3.2056 12.9416 -0.4377 C.3 108 GLN131 -0.0210 1652 HB1 3.9837 12.6114 0.2533 H 108 GLN131 0.0289 1653 HB2 2.8082 13.8671 -0.0192 H 108 GLN131 0.0289 1654 CG 2.0931 11.8786 -0.5112 C.3 108 GLN131 0.0225 1655 HG1 2.4746 10.9476 -0.9270 H 108 GLN131 0.0356 1656 HG2 1.2813 12.2141 -1.1570 H 108 GLN131 0.0356 1657 CD 1.5396 11.5497 0.8814 C.2 108 GLN131 0.1981 1658 OE1 2.2737 11.3822 1.8453 O.2 108 GLN131 -0.2798 1659 NE2 0.2024 11.4643 0.9275 N.am 108 GLN131 -0.2724 1660 HE21 -0.2375 11.2376 1.7951 H 108 GLN131 0.1266 1661 HE22 -0.3570 11.6195 0.1132 H 108 GLN131 0.1266 1662 N 5.5730 11.5710 -2.0200 N.am 109 LEU132 -0.2456 1663 H 6.0250 12.0470 -1.2390 H 109 LEU132 0.1312 1664 CA 6.2500 10.4150 -2.6860 C.3 109 LEU132 0.0880 1665 HA 5.6674 10.0612 -3.5366 H 109 LEU132 0.0557 1666 C 6.3130 9.3330 -1.5880 C.2 109 LEU132 0.2187 1667 O 6.9700 9.5020 -0.5330 O.2 109 LEU132 -0.2778 1668 CB 7.6559 10.8523 -3.1213 C.3 109 LEU132 -0.0266 1669 HB1 7.5626 11.6668 -3.8369 H 109 LEU132 0.0287 1670 HB2 8.1768 11.2766 -2.2619 H 109 LEU132 0.0287 1671 CG 8.5156 9.7308 -3.7347 C.3 109 LEU132 -0.0449 1672 HG 8.6203 8.9332 -2.9981 H 109 LEU132 0.0296 1673 CD1 7.8730 9.1295 -4.9938 C.3 109 LEU132 -0.0626 1674 HD11 6.9323 8.6287 -4.7641 H 109 LEU132 0.0232 1675 HD12 8.5292 8.3890 -5.4513 H 109 LEU132 0.0232 1676 HD13 7.6697 9.8992 -5.7390 H 109 LEU132 0.0232 1677 CD2 9.9253 10.2507 -4.0418 C.3 109 LEU132 -0.0626 1678 HD21 10.3694 10.7179 -3.1633 H 109 LEU132 0.0232 1679 HD22 9.9083 10.9939 -4.8397 H 109 LEU132 0.0232 1680 HD23 10.5826 9.4385 -4.3501 H 109 LEU132 0.0232 1681 N 5.6480 8.2260 -1.8340 N.am 110 ILE133 -0.2454 1682 H 5.1470 8.1360 -2.7180 H 110 ILE133 0.1312 1683 CA 5.6030 7.0910 -0.8540 C.3 110 ILE133 0.0903 1684 HA 6.0581 7.4075 0.0860 H 110 ILE133 0.0560 1685 C 6.3850 5.9220 -1.4180 C.2 110 ILE133 0.2190 1686 O 6.2380 5.4630 -2.5480 O.2 110 ILE133 -0.2778 1687 CB 4.1237 6.7072 -0.6044 C.3 110 ILE133 -0.0201 1688 HB 3.7230 6.2948 -1.5330 H 110 ILE133 0.0318 1689 CG1 3.2632 7.9390 -0.2394 C.3 110 ILE133 -0.0514 1690 HG11 3.3692 8.7158 -0.9961 H 110 ILE133 0.0266 1691 HG12 3.6167 8.3747 0.6956 H 110 ILE133 0.0266 1692 CG2 4.0030 5.6229 0.4824 C.3 110 ILE133 -0.0605 1693 HG21 4.6527 4.7719 0.2844 H 110 ILE133 0.0233 1694 HG22 2.9870 5.2340 0.5428 H 110 ILE133 0.0233 1695 HG23 4.2674 6.0132 1.4635 H 110 ILE133 0.0233 1696 CD1 1.7663 7.6277 -0.1290 C.3 110 ILE133 -0.0650 1697 HD11 1.1938 8.5404 0.0366 H 110 ILE133 0.0230 1698 HD12 1.5567 6.9535 0.7009 H 110 ILE133 0.0230 1699 HD13 1.3984 7.1618 -1.0436 H 110 ILE133 0.0230 1700 N 7.2510 5.3290 -0.5660 N.am 111 CYS134 -0.2449 1701 H 7.3560 5.6880 0.3830 H 111 CYS134 0.1312 1702 CA 8.0340 4.1820 -0.9970 C.3 111 CYS134 0.0965 1703 HA 8.1936 4.2257 -2.0769 H 111 CYS134 0.0565 1704 C 7.2260 2.9420 -0.6580 C.2 111 CYS134 0.2195 1705 O 7.2610 2.4470 0.4670 O.2 111 CYS134 -0.2778 1706 CB 9.3948 4.1627 -0.2872 C.3 111 CYS134 0.0147 1707 HB1 9.9380 3.2630 -0.5784 H 111 CYS134 0.0394 1708 HB2 9.2603 4.1105 0.7934 H 111 CYS134 0.0394 1709 SG 10.4382 5.5963 -0.6707 S.3 111 CYS134 -0.1762 1710 HG 11.7192 5.2748 -0.4832 H 111 CYS134 0.1017 1711 N 6.4510 2.4440 -1.6090 N.am 112 GLU135 -0.2456 1712 H 6.5080 2.8310 -2.5510 H 112 GLU135 0.1312 1713 CA 5.5110 1.3480 -1.3410 C.3 112 GLU135 0.0883 1714 HA 5.2712 1.3600 -0.2757 H 112 GLU135 0.0557 1715 C 6.1980 0.0130 -1.6460 C.2 112 GLU135 0.2187 1716 O 6.7320 -0.2160 -2.7680 O.2 112 GLU135 -0.2778 1717 CB 4.2062 1.6315 -2.1009 C.3 112 GLU135 -0.0193 1718 HB1 3.5009 0.8128 -1.9534 H 112 GLU135 0.0290 1719 HB2 4.4001 1.7024 -3.1696 H 112 GLU135 0.0290 1720 CG 3.5936 2.9545 -1.5925 C.3 112 GLU135 0.0356 1721 HG1 4.2305 3.7958 -1.8611 H 112 GLU135 0.0374 1722 HG2 3.5364 2.9305 -0.5050 H 112 GLU135 0.0374 1723 CD 2.1862 3.2870 -2.1020 C.2 112 GLU135 0.1760 1724 OE1 1.7259 2.7145 -3.0817 O.co2 112 GLU135 -0.6478 1725 OE2 1.5355 4.1439 -1.5104 O.co2 112 GLU135 -0.6478 1726 N 6.2050 -0.8530 -0.6220 N.am 113 ARG136 -0.2457 1727 H 5.7660 -0.6180 0.2680 H 113 ARG136 0.1312 1728 CA 6.8520 -2.1260 -0.8170 C.3 113 ARG136 0.0879 1729 HA 7.8118 -1.9281 -1.2972 H 113 ARG136 0.0557 1730 C 6.0730 -3.0810 -1.7010 C.2 113 ARG136 0.2187 1731 O 4.8460 -3.2760 -1.5130 O.2 113 ARG136 -0.2778 1732 CB 7.0729 -2.7901 0.5658 C.3 113 ARG136 -0.0258 1733 HB1 6.8101 -3.8500 0.5499 H 113 ARG136 0.0286 1734 HB2 6.3678 -2.3605 1.2793 H 113 ARG136 0.0286 1735 CG 8.5057 -2.6451 1.1177 C.3 113 ARG136 -0.0154 1736 HG1 8.4550 -2.1881 2.1066 H 113 ARG136 0.0299 1737 HG2 9.0869 -1.9514 0.5078 H 113 ARG136 0.0299 1738 CD 9.2552 -3.9846 1.2363 C.3 113 ARG136 0.1045 1739 HD1 10.2462 -3.8164 1.6631 H 113 ARG136 0.0711 1740 HD2 8.7121 -4.6889 1.8709 H 113 ARG136 0.0711 1741 NE 9.4091 -4.5874 -0.0860 N.pl3 113 ARG136 -0.4450 1742 HE 8.8560 -4.2485 -0.8496 H 113 ARG136 0.3153 1743 CZ 10.2609 -5.5501 -0.4196 C.cat 113 ARG136 0.5062 1744 NH1 10.3119 -5.9550 -1.6581 N.pl3 113 ARG136 -0.4573 1745 HH11 10.9524 -6.6596 -1.9489 H 113 ARG136 0.3114 1746 HH12 9.6983 -5.5474 -2.3390 H 113 ARG136 0.3114 1747 NH2 11.0514 -6.0952 0.4637 N.pl3 113 ARG136 -0.4573 1748 HH21 11.6979 -6.8005 0.1861 H 113 ARG136 0.3114 1749 HH22 11.0030 -5.7981 1.4110 H 113 ARG136 0.3114 1750 N 6.7880 -3.7200 -2.6040 N.am 114 ILE137 -0.2454 1751 H 7.8010 -3.6090 -2.6410 H 114 ILE137 0.1312 1752 CA 6.0900 -4.6010 -3.5620 C.3 114 ILE137 0.0903 1753 HA 5.1557 -4.9519 -3.1181 H 114 ILE137 0.0560 1754 C 6.9460 -5.8620 -3.7910 C.2 114 ILE137 0.2189 1755 O 8.1760 -5.8580 -3.4000 O.2 114 ILE137 -0.2778 1756 CB 5.7876 -3.8518 -4.8805 C.3 114 ILE137 -0.0201 1757 HB 5.4229 -4.5865 -5.6004 H 114 ILE137 0.0318 1758 CG1 7.0336 -3.1767 -5.4872 C.3 114 ILE137 -0.0514 1759 HG11 7.8858 -3.8563 -5.4569 H 114 ILE137 0.0266 1760 HG12 7.3145 -2.3086 -4.8909 H 114 ILE137 0.0266 1761 CG2 4.6543 -2.8321 -4.6765 C.3 114 ILE137 -0.0605 1762 HG21 3.7886 -3.2940 -4.2015 H 114 ILE137 0.0233 1763 HG22 4.3147 -2.4160 -5.6243 H 114 ILE137 0.0233 1764 HG23 4.9714 -1.9995 -4.0478 H 114 ILE137 0.0233 1765 CD1 6.8230 -2.7401 -6.9414 C.3 114 ILE137 -0.0650 1766 HD11 7.7036 -2.2236 -7.3205 H 114 ILE137 0.0230 1767 HD12 5.9830 -2.0563 -7.0474 H 114 ILE137 0.0230 1768 HD13 6.6354 -3.5997 -7.5848 H 114 ILE137 0.0230 1769 N 6.2480 -6.9000 -4.2800 N.am 115 PHE138 -0.2453 1770 H 5.2300 -6.9120 -4.2250 H 115 PHE138 0.1312 1771 CA 6.9930 -8.0460 -4.9110 C.3 115 PHE138 0.0917 1772 HA 7.9487 -8.1515 -4.3939 H 115 PHE138 0.0560 1773 C 7.2700 -7.8130 -6.3460 C.2 115 PHE138 0.2190 1774 O 6.5580 -7.0540 -7.0430 O.2 115 PHE138 -0.2778 1775 CB 6.1698 -9.3325 -4.7364 C.3 115 PHE138 -0.0036 1776 HB1 6.6529 -10.1731 -5.2380 H 115 PHE138 0.0333 1777 HB2 5.1878 -9.2229 -5.1995 H 115 PHE138 0.0333 1778 CG 6.0024 -9.6813 -3.2814 C.ar 115 PHE138 -0.0454 1779 CD1 6.9956 -10.3895 -2.6113 C.ar 115 PHE138 -0.0585 1780 HD1 7.8844 -10.7030 -3.1396 H 115 PHE138 0.0620 1781 CD2 4.8601 -9.2967 -2.5849 C.ar 115 PHE138 -0.0585 1782 HD2 4.0763 -8.7505 -3.0895 H 115 PHE138 0.0620 1783 CE1 6.8509 -10.7082 -1.2672 C.ar 115 PHE138 -0.0615 1784 HE1 7.6203 -11.2702 -0.7582 H 115 PHE138 0.0618 1785 CE2 4.7142 -9.6114 -1.2401 C.ar 115 PHE138 -0.0615 1786 HE2 3.8205 -9.3151 -0.7099 H 115 PHE138 0.0618 1787 CZ 5.7098 -10.3180 -0.5802 C.ar 115 PHE138 -0.0617 1788 HZ 5.5900 -10.5739 0.4626 H 115 PHE138 0.0618 1789 N 8.3040 -8.5280 -6.8380 N.am 116 TYR139 -0.2453 1790 H 8.8940 -9.0470 -6.1870 H 116 TYR139 0.1312 1791 CA 8.6150 -8.5890 -8.2760 C.3 116 TYR139 0.0920 1792 HA 7.8832 -8.0125 -8.8391 H 116 TYR139 0.0560 1793 C 8.5020 -10.0430 -8.6600 C.2 116 TYR139 0.2217 1794 O 9.5630 -10.7540 -8.7660 O.2 116 TYR139 -0.2776 1795 CB 10.0210 -8.0160 -8.5327 C.3 116 TYR139 -0.0036 1796 HB1 10.3046 -8.1740 -9.5744 H 116 TYR139 0.0333 1797 HB2 10.7634 -8.5393 -7.9287 H 116 TYR139 0.0333 1798 CG 10.0849 -6.5338 -8.2517 C.ar 116 TYR139 -0.0453 1799 CD1 9.3034 -5.6483 -8.9902 C.ar 116 TYR139 -0.0561 1800 HD1 8.6507 -6.0173 -9.7674 H 116 TYR139 0.0621 1801 CD2 10.9347 -6.0206 -7.2728 C.ar 116 TYR139 -0.0561 1802 HD2 11.5711 -6.6824 -6.7049 H 116 TYR139 0.0621 1803 CE1 9.3489 -4.2841 -8.7390 C.ar 116 TYR139 -0.0317 1804 HE1 8.7357 -3.6008 -9.3075 H 116 TYR139 0.0643 1805 CE2 10.9900 -4.6518 -7.0288 C.ar 116 TYR139 -0.0317 1806 HE2 11.6600 -4.2503 -6.2818 H 116 TYR139 0.0643 1807 CZ 10.1872 -3.7850 -7.7556 C.ar 116 TYR139 0.0726 1808 OH 10.2053 -2.4296 -7.5051 O.3 116 TYR139 -0.3598 1809 HH 10.9897 -2.2007 -7.0095 H 116 TYR139 0.2173 1810 N 7.3080 -10.5640 -8.8180 N.am 117 PRO140 -0.2316 1811 CA 7.1050 -11.9800 -9.0640 C.3 117 PRO140 0.0907 1812 HA 7.7226 -12.5617 -8.3777 H 117 PRO140 0.0559 1813 C 7.4560 -12.3240 -10.5120 C.2 117 PRO140 0.2189 1814 O 7.3620 -11.5220 -11.4410 O.2 117 PRO140 -0.2778 1815 CB 5.6073 -12.1726 -8.8096 C.3 117 PRO140 -0.0276 1816 HB1 5.4449 -12.3575 -7.7476 H 117 PRO140 0.0285 1817 HB2 5.1703 -13.0088 -9.3576 H 117 PRO140 0.0285 1818 CG 4.9928 -10.8296 -9.1860 C.3 117 PRO140 -0.0379 1819 HG1 4.0281 -10.6550 -8.7097 H 117 PRO140 0.0278 1820 HG2 4.8466 -10.7902 -10.2663 H 117 PRO140 0.0278 1821 CD 6.0525 -9.8072 -8.7762 C.3 117 PRO140 0.0071 1822 HD1 5.8863 -9.4802 -7.7530 H 117 PRO140 0.0431 1823 HD2 6.0923 -8.9611 -9.4634 H 117 PRO140 0.0431 1824 N 7.8330 -13.5780 -10.6890 N.am 118 GLU141 -0.2456 1825 H 8.1290 -14.1330 -9.8870 H 118 GLU141 0.1312 1826 CA 7.8300 -14.1730 -12.0100 C.3 118 GLU141 0.0883 1827 HA 8.1993 -13.4430 -12.7340 H 118 GLU141 0.0557 1828 C 6.4100 -14.5200 -12.3170 C.2 118 GLU141 0.2187 1829 O 5.5680 -14.5740 -11.4320 O.2 118 GLU141 -0.2778 1830 CB 8.6974 -15.4442 -12.0169 C.3 118 GLU141 -0.0193 1831 HB1 8.5743 -15.9757 -12.9626 H 118 GLU141 0.0290 1832 HB2 8.3474 -16.1273 -11.2423 H 118 GLU141 0.0290 1833 CG 10.1956 -15.1692 -11.7979 C.3 118 GLU141 0.0356 1834 HG1 10.3565 -14.6334 -10.8635 H 118 GLU141 0.0374 1835 HG2 10.7359 -16.1111 -11.7210 H 118 GLU141 0.0374 1836 CD 10.8503 -14.3657 -12.9326 C.2 118 GLU141 0.1760 1837 OE1 10.2570 -14.2327 -14.0021 O.co2 118 GLU141 -0.6478 1838 OE2 11.9592 -13.8803 -12.7262 O.co2 118 GLU141 -0.6478 1839 N 6.1040 -14.6010 -13.6030 N.am 119 ILE142 -0.2454 1840 H 6.8210 -14.4070 -14.3020 H 119 ILE142 0.1312 1841 CA 4.7760 -14.9580 -14.0310 C.3 119 ILE142 0.0903 1842 HA 4.1104 -14.9766 -13.1658 H 119 ILE142 0.0560 1843 C 4.7380 -16.3450 -14.6600 C.2 119 ILE142 0.2189 1844 O 5.6850 -16.7510 -15.3740 O.2 119 ILE142 -0.2778 1845 CB 4.2629 -13.8746 -15.0086 C.3 119 ILE142 -0.0201 1846 HB 4.3531 -12.9234 -14.4821 H 119 ILE142 0.0318 1847 CG1 2.7703 -14.0685 -15.3458 C.3 119 ILE142 -0.0514 1848 HG11 2.6396 -14.9482 -15.9775 H 119 ILE142 0.0266 1849 HG12 2.2177 -14.2701 -14.4275 H 119 ILE142 0.0266 1850 CG2 5.1210 -13.7713 -16.2840 C.3 119 ILE142 -0.0605 1851 HG21 6.1774 -13.6373 -16.0506 H 119 ILE142 0.0233 1852 HG22 4.8223 -12.9209 -16.8954 H 119 ILE142 0.0233 1853 HG23 5.0295 -14.6667 -16.8992 H 119 ILE142 0.0233 1854 CD1 2.1362 -12.8540 -16.0336 C.3 119 ILE142 -0.0650 1855 HD11 1.0695 -13.0146 -16.1909 H 119 ILE142 0.0230 1856 HD12 2.5850 -12.6676 -17.0089 H 119 ILE142 0.0230 1857 HD13 2.2533 -11.9543 -15.4294 H 119 ILE142 0.0230 1858 N 3.6460 -17.0160 -14.4190 N.am 120 GLU143 -0.2456 1859 H 2.9310 -16.6060 -13.8180 H 120 GLU143 0.1312 1860 CA 3.4250 -18.3390 -14.9900 C.3 120 GLU143 0.0883 1861 HA 4.0877 -18.4872 -15.8455 H 120 GLU143 0.0557 1862 C 2.0050 -18.4630 -15.4560 C.2 120 GLU143 0.2187 1863 O 1.0820 -18.2480 -14.7070 O.2 120 GLU143 -0.2778 1864 CB 3.7184 -19.3872 -13.8970 C.3 120 GLU143 -0.0193 1865 HB1 3.1112 -19.1712 -13.0162 H 120 GLU143 0.0290 1866 HB2 4.7556 -19.2790 -13.5773 H 120 GLU143 0.0290 1867 CG 3.4776 -20.8474 -14.3278 C.3 120 GLU143 0.0356 1868 HG1 4.0942 -21.1014 -15.1893 H 120 GLU143 0.0374 1869 HG2 2.4393 -21.0106 -14.6146 H 120 GLU143 0.0374 1870 CD 3.7947 -21.8159 -13.1790 C.2 120 GLU143 0.1760 1871 OE1 4.7826 -22.5422 -13.2721 O.co2 120 GLU143 -0.6478 1872 OE2 3.0472 -21.8330 -12.2023 O.co2 120 GLU143 -0.6478 1873 N 1.8280 -19.0290 -16.6250 N.am 121 GLU144 -0.2456 1874 H 2.6370 -19.2660 -17.2000 H 121 GLU144 0.1312 1875 CA 0.4750 -19.3250 -17.1150 C.3 121 GLU144 0.0883 1876 HA -0.2354 -18.6430 -16.6435 H 121 GLU144 0.0557 1877 C 0.0730 -20.7560 -16.8100 C.2 121 GLU144 0.2187 1878 O 0.9040 -21.6810 -17.0170 O.2 121 GLU144 -0.2778 1879 CB 0.4632 -19.0772 -18.6317 C.3 121 GLU144 -0.0193 1880 HB1 0.8349 -18.0684 -18.8176 H 121 GLU144 0.0290 1881 HB2 1.1644 -19.7509 -19.1269 H 121 GLU144 0.0290 1882 CG -0.9276 -19.2187 -19.2727 C.3 121 GLU144 0.0356 1883 HG1 -1.2962 -20.2414 -19.1961 H 121 GLU144 0.0374 1884 HG2 -1.6513 -18.5757 -18.7737 H 121 GLU144 0.0374 1885 CD -0.8745 -18.8204 -20.7520 C.2 121 GLU144 0.1760 1886 OE1 -0.8318 -17.6241 -21.0334 O.co2 121 GLU144 -0.6478 1887 OE2 -0.8754 -19.7073 -21.6034 O.co2 121 GLU144 -0.6478 1888 N -1.1290 -20.9430 -16.3090 N.am 122 VAL145 -0.2454 1889 H -1.6650 -20.1250 -16.0190 H 122 VAL145 0.1312 1890 CA -1.7390 -22.2670 -16.1460 C.3 122 VAL145 0.0901 1891 HA -1.0555 -23.0142 -16.5537 H 122 VAL145 0.0560 1892 C -3.0610 -22.3580 -16.9690 C.2 122 VAL145 0.2189 1893 O -3.5950 -21.3550 -17.4730 O.2 122 VAL145 -0.2778 1894 CB -1.9793 -22.5513 -14.6480 C.3 122 VAL145 -0.0227 1895 HB -2.3970 -23.5551 -14.5637 H 122 VAL145 0.0315 1896 CG1 -0.6563 -22.5522 -13.8654 C.3 122 VAL145 -0.0608 1897 HG11 -0.8112 -22.8512 -12.8286 H 122 VAL145 0.0233 1898 HG12 -0.1914 -21.5652 -13.8531 H 122 VAL145 0.0233 1899 HG13 0.0630 -23.2451 -14.3034 H 122 VAL145 0.0233 1900 CG2 -2.9860 -21.5819 -14.0060 C.3 122 VAL145 -0.0608 1901 HG21 -3.1761 -21.8620 -12.9705 H 122 VAL145 0.0233 1902 HG22 -3.9448 -21.5900 -14.5239 H 122 VAL145 0.0233 1903 HG23 -2.6122 -20.5576 -14.0094 H 122 VAL145 0.0233 1904 N -3.6060 -23.5710 -17.1180 N.am 123 GLN146 -0.2456 1905 H -3.1810 -24.3880 -16.6790 H 123 GLN146 0.1312 1906 CA -4.8250 -23.7070 -17.9230 C.3 123 GLN146 0.0882 1907 HA -4.6989 -23.1151 -18.8320 H 123 GLN146 0.0557 1908 C -6.0410 -23.1610 -17.1930 C.2 123 GLN146 0.2187 1909 O -6.9240 -22.5620 -17.7880 O.2 123 GLN146 -0.2778 1910 CB -5.0169 -25.1902 -18.2810 C.3 123 GLN146 -0.0210 1911 HB1 -5.9590 -25.3284 -18.8150 H 123 GLN146 0.0289 1912 HB2 -5.1060 -25.7680 -17.3602 H 123 GLN146 0.0289 1913 CG -3.8641 -25.7739 -19.1190 C.3 123 GLN146 0.0225 1914 HG1 -2.8931 -25.5888 -18.6592 H 123 GLN146 0.0356 1915 HG2 -3.9746 -26.8553 -19.1911 H 123 GLN146 0.0356 1916 CD -3.8651 -25.2215 -20.5504 C.2 123 GLN146 0.1981 1917 OE1 -4.5200 -25.7564 -21.4341 O.2 123 GLN146 -0.2798 1918 NE2 -3.0986 -24.1339 -20.7253 N.am 123 GLN146 -0.2724 1919 HE21 -2.5765 -23.7158 -19.9818 H 123 GLN146 0.1266 1920 HE22 -3.0395 -23.7074 -21.6284 H 123 GLN146 0.1266 1921 N -6.0500 -23.3470 -15.9080 N.am 124 ALA147 -0.2459 1922 H -5.2670 -23.8340 -15.4730 H 124 ALA147 0.1312 1923 CA -7.1440 -22.8810 -15.0720 C.3 124 ALA147 0.0850 1924 HA -7.4451 -21.8869 -15.4101 H 124 ALA147 0.0554 1925 C -6.5300 -22.7880 -13.7100 C.2 124 ALA147 0.2184 1926 O -5.7230 -23.6240 -13.3180 O.2 124 ALA147 -0.2778 1927 CB -8.3066 -23.8813 -15.0982 C.3 124 ALA147 -0.0411 1928 HB1 -9.1137 -23.5672 -14.4360 H 124 ALA147 0.0249 1929 HB2 -7.9836 -24.8758 -14.7880 H 124 ALA147 0.0249 1930 HB3 -8.7188 -23.9667 -16.1037 H 124 ALA147 0.0249 1931 N -6.8720 -21.7150 -12.9970 N.am 125 LEU148 -0.2473 1932 H -7.3030 -20.9200 -13.4690 H 125 LEU148 0.1311 1933 CA -6.6430 -21.6500 -11.5470 C.3 125 LEU148 0.0701 1934 HA -5.6803 -22.1012 -11.3003 H 125 LEU148 0.0540 1935 C -7.7830 -22.4740 -10.9190 C.2 125 LEU148 0.1375 1936 H -8.7680 -22.5240 -11.4130 H 125 LEU148 0.1043 1937 O -7.5870 -23.0870 -9.8460 O.2 125 LEU148 -0.2994 1938 CB -6.7325 -20.1751 -11.1196 C.3 125 LEU148 -0.0282 1939 HB1 -6.7274 -20.1051 -10.0309 H 125 LEU148 0.0287 1940 HB2 -7.6928 -19.7711 -11.4430 H 125 LEU148 0.0287 1941 CG -5.5980 -19.2975 -11.6832 C.3 125 LEU148 -0.0449 1942 HG -5.5189 -19.4681 -12.7577 H 125 LEU148 0.0296 1943 CD1 -5.9122 -17.8098 -11.4823 C.3 125 LEU148 -0.0626 1944 HD11 -5.1255 -17.1832 -11.9033 H 125 LEU148 0.0232 1945 HD12 -6.0023 -17.5659 -10.4235 H 125 LEU148 0.0232 1946 HD13 -6.8480 -17.5360 -11.9696 H 125 LEU148 0.0232 1947 CD2 -4.2426 -19.6421 -11.0493 C.3 125 LEU148 -0.0626 1948 HD21 -3.4452 -19.0325 -11.4761 H 125 LEU148 0.0232 1949 HD22 -3.9729 -20.6845 -11.2105 H 125 LEU148 0.0232 1950 HD23 -4.2549 -19.4670 -9.9732 H 125 LEU148 0.0232 @BOND 1 1 5 1 2 1 2 1 3 1 3 1 4 1 4 1 5 5 7 1 6 5 9 1 7 5 6 1 8 7 20 am 9 7 8 2 10 9 12 1 11 9 10 1 12 9 11 1 13 12 15 1 14 12 13 1 15 12 14 1 16 15 16 1 17 16 17 1 18 16 18 1 19 16 19 1 20 20 22 1 21 20 21 1 22 22 24 1 23 22 26 1 24 22 23 1 25 24 25 2 26 24 37 am 27 26 29 1 28 26 27 1 29 26 28 1 30 29 32 1 31 29 30 1 32 29 31 1 33 32 33 2 34 32 34 am 35 34 35 1 36 34 36 1 37 37 39 1 38 37 38 1 39 39 43 1 40 39 41 1 41 39 40 1 42 41 42 2 43 41 56 am 44 43 46 1 45 43 44 1 46 43 45 1 47 46 48 1 48 46 52 1 49 46 47 1 50 48 49 1 51 48 50 1 52 48 51 1 53 52 53 1 54 52 54 1 55 52 55 1 56 56 58 1 57 56 57 1 58 58 62 1 59 58 60 1 60 58 59 1 61 60 61 2 62 60 80 am 63 62 65 1 64 62 63 1 65 62 64 1 66 65 68 1 67 65 66 1 68 65 67 1 69 68 71 1 70 68 69 1 71 68 70 1 72 71 73 ar 73 71 72 1 74 73 74 ar 75 73 77 ar 76 74 75 1 77 74 76 1 78 77 78 1 79 77 79 1 80 80 82 1 81 80 81 1 82 82 84 1 83 82 86 1 84 82 83 1 85 84 100 am 86 84 85 2 87 86 89 1 88 86 87 1 89 86 88 1 90 89 90 ar 91 89 92 ar 92 90 94 ar 93 90 91 1 94 92 96 ar 95 92 93 1 96 94 98 ar 97 94 95 1 98 96 98 ar 99 96 97 1 100 98 99 1 101 100 102 1 102 100 101 1 103 102 104 1 104 102 106 1 105 102 103 1 106 104 105 2 107 104 110 am 108 106 107 1 109 106 108 1 110 106 109 1 111 110 112 1 112 110 111 1 113 112 114 1 114 112 116 1 115 112 113 1 116 114 134 am 117 114 115 2 118 116 119 1 119 116 117 1 120 116 118 1 121 119 122 1 122 119 120 1 123 119 121 1 124 122 125 1 125 122 123 1 126 122 124 1 127 125 127 ar 128 125 126 1 129 127 128 ar 130 127 131 ar 131 128 129 1 132 128 130 1 133 131 132 1 134 131 133 1 135 134 136 1 136 134 135 1 137 136 140 1 138 136 138 1 139 136 137 1 140 138 139 2 141 138 153 am 142 140 143 1 143 140 141 1 144 140 142 1 145 143 145 1 146 143 149 1 147 143 144 1 148 145 146 1 149 145 147 1 150 145 148 1 151 149 150 1 152 149 151 1 153 149 152 1 154 153 155 1 155 153 154 1 156 155 159 1 157 155 157 1 158 155 156 1 159 157 158 2 160 157 164 am 161 159 162 1 162 159 160 1 163 159 161 1 164 162 163 1 165 164 166 1 166 164 165 1 167 166 168 1 168 166 170 1 169 166 167 1 170 168 179 am 171 168 169 2 172 170 173 1 173 170 171 1 174 170 172 1 175 173 176 1 176 173 174 1 177 173 175 1 178 176 178 ar 179 176 177 ar 180 179 181 1 181 179 180 1 182 181 183 1 183 181 185 1 184 181 182 1 185 183 196 am 186 183 184 2 187 185 188 1 188 185 186 1 189 185 187 1 190 188 190 ar 191 188 189 ar 192 189 192 ar 193 190 194 ar 194 190 191 1 195 192 194 ar 196 192 193 1 197 194 195 1 198 196 198 1 199 196 197 1 200 198 202 1 201 198 200 1 202 198 199 1 203 200 206 am 204 200 201 2 205 202 203 1 206 202 204 1 207 202 205 1 208 206 208 1 209 206 207 1 210 208 210 1 211 208 212 1 212 208 209 1 213 210 211 2 214 210 220 am 215 212 214 1 216 212 216 1 217 212 213 1 218 214 215 1 219 216 217 1 220 216 218 1 221 216 219 1 222 220 222 1 223 220 221 1 224 222 224 1 225 222 226 1 226 222 223 1 227 224 230 am 228 224 225 2 229 226 227 1 230 226 228 1 231 226 229 1 232 230 231 1 233 230 241 1 234 231 235 1 235 231 233 1 236 231 232 1 237 233 244 am 238 233 234 2 239 235 238 1 240 235 236 1 241 235 237 1 242 238 241 1 243 238 239 1 244 238 240 1 245 241 242 1 246 241 243 1 247 244 246 1 248 244 245 1 249 246 248 1 250 246 250 1 251 246 247 1 252 248 249 2 253 248 258 am 254 250 252 1 255 250 254 1 256 250 251 1 257 252 253 1 258 254 255 1 259 254 256 1 260 254 257 1 261 258 260 1 262 258 259 1 263 260 264 1 264 260 262 1 265 260 261 1 266 262 263 2 267 262 282 am 268 264 267 1 269 264 265 1 270 264 266 1 271 267 270 1 272 267 268 1 273 267 269 1 274 270 273 1 275 270 271 1 276 270 272 1 277 273 275 ar 278 273 274 1 279 275 276 ar 280 275 279 ar 281 276 277 1 282 276 278 1 283 279 280 1 284 279 281 1 285 282 284 1 286 282 283 1 287 284 287 1 288 284 285 1 289 284 286 1 290 287 289 am 291 287 288 2 292 289 291 1 293 289 290 1 294 291 295 1 295 291 293 1 296 291 292 1 297 293 294 2 298 293 300 am 299 295 298 1 300 295 296 1 301 295 297 1 302 298 299 1 303 300 302 1 304 300 301 1 305 302 304 1 306 302 306 1 307 302 303 1 308 304 310 am 309 304 305 2 310 306 307 1 311 306 308 1 312 306 309 1 313 310 312 1 314 310 311 1 315 312 314 1 316 312 316 1 317 312 313 1 318 314 315 2 319 314 334 am 320 316 319 1 321 316 317 1 322 316 318 1 323 319 322 1 324 319 320 1 325 319 321 1 326 322 325 1 327 322 323 1 328 322 324 1 329 325 327 ar 330 325 326 1 331 327 328 ar 332 327 331 ar 333 328 329 1 334 328 330 1 335 331 332 1 336 331 333 1 337 334 336 1 338 334 335 1 339 336 338 1 340 336 340 1 341 336 337 1 342 338 339 2 343 338 344 am 344 340 341 1 345 340 342 1 346 340 343 1 347 344 346 1 348 344 345 1 349 346 348 1 350 346 350 1 351 346 347 1 352 348 349 2 353 348 354 am 354 350 351 1 355 350 352 1 356 350 353 1 357 354 356 1 358 354 355 1 359 356 359 1 360 356 357 1 361 356 358 1 362 359 360 2 363 359 361 am 364 361 363 1 365 361 362 1 366 363 365 1 367 363 367 1 368 363 364 1 369 365 366 2 370 365 382 am 371 367 370 1 372 367 368 1 373 367 369 1 374 370 371 ar 375 370 373 ar 376 371 375 ar 377 371 372 1 378 373 377 ar 379 373 374 1 380 375 379 ar 381 375 376 1 382 377 379 ar 383 377 378 1 384 379 380 1 385 380 381 1 386 382 384 1 387 382 383 1 388 384 386 1 389 384 388 1 390 384 385 1 391 386 394 am 392 386 387 2 393 388 391 1 394 388 389 1 395 388 390 1 396 391 392 ar 397 391 393 ar 398 394 396 1 399 394 395 1 400 396 400 1 401 396 398 1 402 396 397 1 403 398 413 am 404 398 399 2 405 400 403 1 406 400 401 1 407 400 402 1 408 403 405 1 409 403 409 1 410 403 404 1 411 405 406 1 412 405 407 1 413 405 408 1 414 409 410 1 415 409 411 1 416 409 412 1 417 413 415 1 418 413 414 1 419 415 417 1 420 415 419 1 421 415 416 1 422 417 434 am 423 417 418 2 424 419 422 1 425 419 420 1 426 419 421 1 427 422 425 ar 428 422 423 ar 429 423 427 ar 430 423 424 1 431 425 429 ar 432 425 426 1 433 427 431 ar 434 427 428 1 435 429 431 ar 436 429 430 1 437 431 432 1 438 432 433 1 439 434 436 1 440 434 435 1 441 436 440 1 442 436 438 1 443 436 437 1 444 438 445 am 445 438 439 2 446 440 443 1 447 440 441 1 448 440 442 1 449 443 444 1 450 445 447 1 451 445 446 1 452 447 449 1 453 447 451 1 454 447 448 1 455 449 450 2 456 449 455 am 457 451 452 1 458 451 453 1 459 451 454 1 460 455 457 1 461 455 456 1 462 457 461 1 463 457 459 1 464 457 458 1 465 459 460 2 466 459 476 am 467 461 464 1 468 461 462 1 469 461 463 1 470 464 465 ar 471 464 467 ar 472 465 469 ar 473 465 466 1 474 467 471 ar 475 467 468 1 476 469 473 ar 477 469 470 1 478 471 473 ar 479 471 472 1 480 473 474 1 481 474 475 1 482 476 478 1 483 476 477 1 484 478 480 1 485 478 482 1 486 478 479 1 487 480 488 am 488 480 481 2 489 482 485 1 490 482 483 1 491 482 484 1 492 485 486 ar 493 485 487 ar 494 488 490 1 495 488 489 1 496 490 494 1 497 490 492 1 498 490 491 1 499 492 493 2 500 492 509 am 501 494 497 1 502 494 495 1 503 494 496 1 504 497 498 ar 505 497 500 ar 506 498 502 ar 507 498 499 1 508 500 504 ar 509 500 501 1 510 502 506 ar 511 502 503 1 512 504 506 ar 513 504 505 1 514 506 507 1 515 507 508 1 516 509 511 1 517 509 510 1 518 511 513 1 519 511 515 1 520 511 512 1 521 513 514 2 522 513 523 am 523 515 517 1 524 515 519 1 525 515 516 1 526 517 518 1 527 519 520 1 528 519 521 1 529 519 522 1 530 523 525 1 531 523 524 1 532 525 527 1 533 525 529 1 534 525 526 1 535 527 528 2 536 527 542 am 537 529 534 1 538 529 531 1 539 529 530 1 540 531 538 1 541 531 532 1 542 531 533 1 543 534 535 1 544 534 536 1 545 534 537 1 546 538 539 1 547 538 540 1 548 538 541 1 549 542 553 1 550 542 543 1 551 543 547 1 552 543 545 1 553 543 544 1 554 545 556 am 555 545 546 2 556 547 550 1 557 547 548 1 558 547 549 1 559 550 553 1 560 550 551 1 561 550 552 1 562 553 554 1 563 553 555 1 564 556 557 1 565 556 567 1 566 557 559 1 567 557 561 1 568 557 558 1 569 559 560 2 570 559 570 am 571 561 564 1 572 561 562 1 573 561 563 1 574 564 567 1 575 564 565 1 576 564 566 1 577 567 568 1 578 567 569 1 579 570 572 1 580 570 571 1 581 572 574 1 582 572 576 1 583 572 573 1 584 574 575 2 585 574 587 am 586 576 579 1 587 576 577 1 588 576 578 1 589 579 582 1 590 579 580 1 591 579 581 1 592 582 583 1 593 583 584 1 594 583 585 1 595 583 586 1 596 587 589 1 597 587 588 1 598 589 591 1 599 589 593 1 600 589 590 1 601 591 602 am 602 591 592 2 603 593 596 1 604 593 594 1 605 593 595 1 606 596 599 1 607 596 597 1 608 596 598 1 609 599 600 ar 610 599 601 ar 611 602 604 1 612 602 603 1 613 604 608 1 614 604 606 1 615 604 605 1 616 606 607 2 617 606 624 am 618 608 611 1 619 608 609 1 620 608 610 1 621 611 614 1 622 611 612 1 623 611 613 1 624 614 617 1 625 614 615 1 626 614 616 1 627 617 620 1 628 617 618 1 629 617 619 1 630 620 621 1 631 620 622 1 632 620 623 1 633 624 626 1 634 624 625 1 635 626 628 1 636 626 630 1 637 626 627 1 638 628 634 am 639 628 629 2 640 630 631 1 641 630 632 1 642 630 633 1 643 634 636 1 644 634 635 1 645 636 640 1 646 636 638 1 647 636 637 1 648 638 639 2 649 638 650 am 650 640 646 1 651 640 642 1 652 640 641 1 653 642 643 1 654 642 644 1 655 642 645 1 656 646 647 1 657 646 648 1 658 646 649 1 659 650 652 1 660 650 651 1 661 652 654 1 662 652 656 1 663 652 653 1 664 654 666 am 665 654 655 2 666 656 662 1 667 656 658 1 668 656 657 1 669 658 659 1 670 658 660 1 671 658 661 1 672 662 663 1 673 662 664 1 674 662 665 1 675 666 668 1 676 666 667 1 677 668 672 1 678 668 670 1 679 668 669 1 680 670 671 2 681 670 688 am 682 672 675 1 683 672 673 1 684 672 674 1 685 675 678 1 686 675 676 1 687 675 677 1 688 678 681 1 689 678 679 1 690 678 680 1 691 681 684 1 692 681 682 1 693 681 683 1 694 684 685 1 695 684 686 1 696 684 687 1 697 688 690 1 698 688 689 1 699 690 694 1 700 690 692 1 701 690 691 1 702 692 693 2 703 692 702 am 704 694 696 1 705 694 698 1 706 694 695 1 707 696 697 1 708 698 699 1 709 698 700 1 710 698 701 1 711 702 704 1 712 702 703 1 713 704 706 1 714 704 708 1 715 704 705 1 716 706 714 am 717 706 707 2 718 708 711 1 719 708 709 1 720 708 710 1 721 711 712 ar 722 711 713 ar 723 714 716 1 724 714 715 1 725 716 718 1 726 716 720 1 727 716 717 1 728 718 719 2 729 718 733 am 730 720 722 1 731 720 725 1 732 720 721 1 733 722 729 1 734 722 723 1 735 722 724 1 736 725 726 1 737 725 727 1 738 725 728 1 739 729 730 1 740 729 731 1 741 729 732 1 742 733 735 1 743 733 734 1 744 735 737 1 745 735 739 1 746 735 736 1 747 737 750 am 748 737 738 2 749 739 742 1 750 739 740 1 751 739 741 1 752 742 745 1 753 742 743 1 754 742 744 1 755 745 746 2 756 745 747 am 757 747 748 1 758 747 749 1 759 750 752 1 760 750 751 1 761 752 756 1 762 752 754 1 763 752 753 1 764 754 755 2 765 754 769 am 766 756 758 1 767 756 761 1 768 756 757 1 769 758 765 1 770 758 759 1 771 758 760 1 772 761 762 1 773 761 763 1 774 761 764 1 775 765 766 1 776 765 767 1 777 765 768 1 778 769 771 1 779 769 770 1 780 771 773 1 781 771 775 1 782 771 772 1 783 773 779 am 784 773 774 2 785 775 776 1 786 775 777 1 787 775 778 1 788 779 781 1 789 779 780 1 790 781 785 1 791 781 783 1 792 781 782 1 793 783 784 2 794 783 798 am 795 785 788 1 796 785 786 1 797 785 787 1 798 788 790 1 799 788 794 1 800 788 789 1 801 790 791 1 802 790 792 1 803 790 793 1 804 794 795 1 805 794 796 1 806 794 797 1 807 798 809 1 808 798 799 1 809 799 801 1 810 799 803 1 811 799 800 1 812 801 802 2 813 801 812 am 814 803 806 1 815 803 804 1 816 803 805 1 817 806 809 1 818 806 807 1 819 806 808 1 820 809 810 1 821 809 811 1 822 812 814 1 823 812 813 1 824 814 816 1 825 814 818 1 826 814 815 1 827 816 817 2 828 816 823 am 829 818 821 1 830 818 819 1 831 818 820 1 832 821 822 1 833 823 825 1 834 823 824 1 835 825 828 1 836 825 826 1 837 825 827 1 838 828 829 2 839 828 830 am 840 830 832 1 841 830 831 1 842 832 834 1 843 832 836 1 844 832 833 1 845 834 835 2 846 834 841 am 847 836 839 1 848 836 837 1 849 836 838 1 850 839 840 1 851 841 843 1 852 841 842 1 853 843 847 1 854 843 845 1 855 843 844 1 856 845 846 2 857 845 862 am 858 847 850 1 859 847 848 1 860 847 849 1 861 850 853 ar 862 850 851 ar 863 851 855 ar 864 851 852 1 865 853 857 ar 866 853 854 1 867 855 859 ar 868 855 856 1 869 857 859 ar 870 857 858 1 871 859 860 1 872 860 861 1 873 862 864 1 874 862 863 1 875 864 867 1 876 864 865 1 877 864 866 1 878 867 868 2 879 867 869 am 880 869 871 1 881 869 870 1 882 871 875 1 883 871 873 1 884 871 872 1 885 873 874 2 886 873 893 am 887 875 878 1 888 875 876 1 889 875 877 1 890 878 881 1 891 878 879 1 892 878 880 1 893 881 884 1 894 881 882 1 895 881 883 1 896 884 886 ar 897 884 885 1 898 886 890 ar 899 886 887 ar 900 887 888 1 901 887 889 1 902 890 891 1 903 890 892 1 904 893 895 1 905 893 894 1 906 895 897 1 907 895 899 1 908 895 896 1 909 897 898 2 910 897 909 am 911 899 905 1 912 899 901 1 913 899 900 1 914 901 902 1 915 901 903 1 916 901 904 1 917 905 906 1 918 905 907 1 919 905 908 1 920 909 911 1 921 909 910 1 922 911 913 1 923 911 915 1 924 911 912 1 925 913 919 am 926 913 914 2 927 915 916 1 928 915 917 1 929 915 918 1 930 919 920 1 931 919 930 1 932 920 922 1 933 920 924 1 934 920 921 1 935 922 923 2 936 922 933 am 937 924 927 1 938 924 925 1 939 924 926 1 940 927 930 1 941 927 928 1 942 927 929 1 943 930 931 1 944 930 932 1 945 933 935 1 946 933 934 1 947 935 937 1 948 935 939 1 949 935 936 1 950 937 938 2 951 937 957 am 952 939 942 1 953 939 940 1 954 939 941 1 955 942 945 1 956 942 943 1 957 942 944 1 958 945 948 1 959 945 946 1 960 945 947 1 961 948 950 ar 962 948 949 1 963 950 951 ar 964 950 954 ar 965 951 952 1 966 951 953 1 967 954 955 1 968 954 956 1 969 957 959 1 970 957 958 1 971 959 961 1 972 959 963 1 973 959 960 1 974 961 962 2 975 961 968 am 976 963 966 1 977 963 964 1 978 963 965 1 979 966 967 1 980 968 970 1 981 968 969 1 982 970 973 1 983 970 971 1 984 970 972 1 985 973 975 am 986 973 974 2 987 975 977 1 988 975 976 1 989 977 979 1 990 977 981 1 991 977 978 1 992 979 994 am 993 979 980 2 994 981 984 1 995 981 982 1 996 981 983 1 997 984 986 1 998 984 990 1 999 984 985 1 1000 986 987 1 1001 986 988 1 1002 986 989 1 1003 990 991 1 1004 990 992 1 1005 990 993 1 1006 994 996 1 1007 994 995 1 1008 996 998 1 1009 996 1000 1 1010 996 997 1 1011 998 999 2 1012 998 1004 am 1013 1000 1001 1 1014 1000 1002 1 1015 1000 1003 1 1016 1004 1006 1 1017 1004 1005 1 1018 1006 1008 1 1019 1006 1010 1 1020 1006 1007 1 1021 1008 1014 am 1022 1008 1009 2 1023 1010 1011 1 1024 1010 1012 1 1025 1010 1013 1 1026 1014 1016 1 1027 1014 1015 1 1028 1016 1018 1 1029 1016 1020 1 1030 1016 1017 1 1031 1018 1036 am 1032 1018 1019 2 1033 1020 1023 1 1034 1020 1021 1 1035 1020 1022 1 1036 1023 1026 1 1037 1023 1024 1 1038 1023 1025 1 1039 1026 1029 1 1040 1026 1027 1 1041 1026 1028 1 1042 1029 1032 1 1043 1029 1030 1 1044 1029 1031 1 1045 1032 1033 1 1046 1032 1034 1 1047 1032 1035 1 1048 1036 1038 1 1049 1036 1037 1 1050 1038 1040 1 1051 1038 1042 1 1052 1038 1039 1 1053 1040 1041 2 1054 1040 1053 am 1055 1042 1045 1 1056 1042 1043 1 1057 1042 1044 1 1058 1045 1046 ar 1059 1045 1047 ar 1060 1046 1049 ar 1061 1047 1051 ar 1062 1047 1048 1 1063 1049 1051 ar 1064 1049 1050 1 1065 1051 1052 1 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1881 1860 1862 1 1882 1860 1864 1 1883 1860 1861 1 1884 1862 1873 am 1885 1862 1863 2 1886 1864 1867 1 1887 1864 1865 1 1888 1864 1866 1 1889 1867 1870 1 1890 1867 1868 1 1891 1867 1869 1 1892 1870 1872 ar 1893 1870 1871 ar 1894 1873 1875 1 1895 1873 1874 1 1896 1875 1877 1 1897 1875 1879 1 1898 1875 1876 1 1899 1877 1888 am 1900 1877 1878 2 1901 1879 1882 1 1902 1879 1880 1 1903 1879 1881 1 1904 1882 1885 1 1905 1882 1883 1 1906 1882 1884 1 1907 1885 1887 ar 1908 1885 1886 ar 1909 1888 1890 1 1910 1888 1889 1 1911 1890 1892 1 1912 1890 1894 1 1913 1890 1891 1 1914 1892 1904 am 1915 1892 1893 2 1916 1894 1896 1 1917 1894 1900 1 1918 1894 1895 1 1919 1896 1897 1 1920 1896 1898 1 1921 1896 1899 1 1922 1900 1901 1 1923 1900 1902 1 1924 1900 1903 1 1925 1904 1906 1 1926 1904 1905 1 1927 1906 1908 1 1928 1906 1910 1 1929 1906 1907 1 1930 1908 1909 2 1931 1908 1921 am 1932 1910 1913 1 1933 1910 1911 1 1934 1910 1912 1 1935 1913 1916 1 1936 1913 1914 1 1937 1913 1915 1 1938 1916 1917 2 1939 1916 1918 am 1940 1918 1919 1 1941 1918 1920 1 1942 1921 1923 1 1943 1921 1922 1 1944 1923 1925 1 1945 1923 1927 1 1946 1923 1924 1 1947 1925 1931 am 1948 1925 1926 2 1949 1927 1928 1 1950 1927 1929 1 1951 1927 1930 1 1952 1931 1933 1 1953 1931 1932 1 1954 1933 1938 1 1955 1933 1935 1 1956 1933 1934 1 1957 1935 1937 2 1958 1935 1936 1 1959 1938 1941 1 1960 1938 1939 1 1961 1938 1940 1 1962 1941 1943 1 1963 1941 1947 1 1964 1941 1942 1 1965 1943 1944 1 1966 1943 1945 1 1967 1943 1946 1 1968 1947 1948 1 1969 1947 1949 1 1970 1947 1950 1 @SUBSTRUCTURE 1 MET24 5 RESIDUE 1 A MET 1 ROOT 2 GLN25 22 RESIDUE 1 A GLN 2 3 LEU26 39 RESIDUE 1 A LEU 2 4 ARG27 58 RESIDUE 1 A ARG 2 5 PHE28 82 RESIDUE 1 A PHE 2 6 ALA29 102 RESIDUE 1 A ALA 2 7 ARG30 112 RESIDUE 1 A ARG 2 8 LEU31 136 RESIDUE 1 A LEU 2 9 SER32 155 RESIDUE 1 A SER 2 10 GLU33 166 RESIDUE 1 A GLU 2 11 HIS34 181 RESIDUE 1 A HIS 2 12 ALA35 198 RESIDUE 1 A ALA 2 13 THR36 208 RESIDUE 1 A THR 2 14 ALA37 222 RESIDUE 1 A ALA 2 15 PRO38 231 RESIDUE 1 A PRO 2 16 THR39 246 RESIDUE 1 A THR 2 17 ARG40 260 RESIDUE 1 A ARG 2 18 GLY41 284 RESIDUE 1 A GLY 2 19 SER42 291 RESIDUE 1 A SER 2 20 ALA43 302 RESIDUE 1 A ALA 2 21 ARG44 312 RESIDUE 1 A ARG 2 22 ALA45 336 RESIDUE 1 A ALA 2 23 ALA46 346 RESIDUE 1 A ALA 2 24 GLY47 356 RESIDUE 1 A GLY 2 25 TYR48 363 RESIDUE 1 A TYR 2 26 ASP49 384 RESIDUE 1 A ASP 2 27 LEU50 396 RESIDUE 1 A LEU 2 28 TYR51 415 RESIDUE 1 A TYR 2 29 SER52 436 RESIDUE 1 A SER 2 30 ALA53 447 RESIDUE 1 A ALA 2 31 TYR54 457 RESIDUE 1 A TYR 2 32 ASP55 478 RESIDUE 1 A ASP 2 33 TYR56 490 RESIDUE 1 A TYR 2 34 THR57 511 RESIDUE 1 A THR 2 35 ILE58 525 RESIDUE 1 A ILE 2 36 PRO59 543 RESIDUE 1 A PRO 2 37 PRO60 557 RESIDUE 1 A PRO 2 38 MET61 572 RESIDUE 1 A MET 2 39 GLU62 589 RESIDUE 1 A GLU 2 40 LYS63 604 RESIDUE 1 A LYS 2 41 ALA64 626 RESIDUE 1 A ALA 2 42 VAL65 636 RESIDUE 1 A VAL 2 43 VAL66 652 RESIDUE 1 A VAL 2 44 LYS67 668 RESIDUE 1 A LYS 2 45 THR68 690 RESIDUE 1 A THR 2 46 ASP69 704 RESIDUE 1 A ASP 2 47 ILE70 716 RESIDUE 1 A ILE 2 48 GLN71 735 RESIDUE 1 A GLN 2 49 ILE72 752 RESIDUE 1 A ILE 2 50 ALA73 771 RESIDUE 1 A ALA 2 51 LEU74 781 RESIDUE 1 A LEU 2 52 PRO75 799 RESIDUE 1 A PRO 2 53 SER76 814 RESIDUE 1 A SER 2 54 GLY77 825 RESIDUE 1 A GLY 2 55 CYS78 832 RESIDUE 1 A CYS 2 56 TYR79 843 RESIDUE 1 A TYR 2 57 GLY80 864 RESIDUE 1 A GLY 2 58 ARG81 871 RESIDUE 1 A ARG 2 59 VAL82 895 RESIDUE 1 A VAL 2 60 ALA83 911 RESIDUE 1 A ALA 2 61 PRO84 920 RESIDUE 1 A PRO 2 62 ARG85 935 RESIDUE 1 A ARG 2 63 SER86 959 RESIDUE 1 A SER 2 64 GLY87 970 RESIDUE 1 A GLY 2 65 LEU88 977 RESIDUE 1 A LEU 2 66 ALA89 996 RESIDUE 1 A ALA 2 67 ALA90 1006 RESIDUE 1 A ALA 2 68 LYS91 1016 RESIDUE 1 A LYS 2 69 HIS92 1038 RESIDUE 1 A HIS 2 70 PHE93 1055 RESIDUE 1 A PHE 2 71 ILE94 1075 RESIDUE 1 A ILE 2 72 ASP95 1094 RESIDUE 1 A ASP 2 73 VAL96 1106 RESIDUE 1 A VAL 2 74 GLY97 1122 RESIDUE 1 A GLY 2 75 ALA98 1129 RESIDUE 1 A ALA 2 76 GLY99 1139 RESIDUE 1 A GLY 2 77 VAL100 1146 RESIDUE 1 A VAL 2 78 ILE101 1162 RESIDUE 1 A ILE 2 79 ASP102 1181 RESIDUE 1 A ASP 2 80 GLU103 1193 RESIDUE 1 A GLU 2 81 ASP104 1208 RESIDUE 1 A ASP 2 82 TYR105 1220 RESIDUE 1 A TYR 2 83 ARG106 1241 RESIDUE 1 A ARG 2 84 GLY107 1265 RESIDUE 1 A GLY 2 85 ASN108 1272 RESIDUE 1 A ASN 2 86 VAL109 1286 RESIDUE 1 A VAL 2 87 GLY110 1302 RESIDUE 1 A GLY 2 88 VAL111 1309 RESIDUE 1 A VAL 2 89 VAL112 1325 RESIDUE 1 A VAL 2 90 LEU113 1341 RESIDUE 1 A LEU 2 91 PHE114 1360 RESIDUE 1 A PHE 2 92 ASN115 1380 RESIDUE 1 A ASN 2 93 PHE116 1394 RESIDUE 1 A PHE 2 94 GLY117 1414 RESIDUE 1 A GLY 2 95 LYS118 1421 RESIDUE 1 A LYS 2 96 GLU119 1443 RESIDUE 1 A GLU 2 97 LYS120 1458 RESIDUE 1 A LYS 2 98 PHE121 1480 RESIDUE 1 A PHE 2 99 GLU122 1500 RESIDUE 1 A GLU 2 100 VAL123 1515 RESIDUE 1 A VAL 2 101 LYS124 1531 RESIDUE 1 A LYS 2 102 LYS125 1553 RESIDUE 1 A LYS 2 103 GLY126 1575 RESIDUE 1 A GLY 2 104 ASP127 1582 RESIDUE 1 A ASP 2 105 ARG128 1594 RESIDUE 1 A ARG 2 106 ILE129 1618 RESIDUE 1 A ILE 2 107 ALA130 1637 RESIDUE 1 A ALA 2 108 GLN131 1647 RESIDUE 1 A GLN 2 109 LEU132 1664 RESIDUE 1 A LEU 2 110 ILE133 1683 RESIDUE 1 A ILE 2 111 CYS134 1702 RESIDUE 1 A CYS 2 112 GLU135 1713 RESIDUE 1 A GLU 2 113 ARG136 1728 RESIDUE 1 A ARG 2 114 ILE137 1752 RESIDUE 1 A ILE 2 115 PHE138 1771 RESIDUE 1 A PHE 2 116 TYR139 1791 RESIDUE 1 A TYR 2 117 PRO140 1811 RESIDUE 1 A PRO 2 118 GLU141 1826 RESIDUE 1 A GLU 2 119 ILE142 1841 RESIDUE 1 A ILE 2 120 GLU143 1860 RESIDUE 1 A GLU 2 121 GLU144 1875 RESIDUE 1 A GLU 2 122 VAL145 1890 RESIDUE 1 A VAL 2 123 GLN146 1906 RESIDUE 1 A GLN 2 124 ALA147 1923 RESIDUE 1 A ALA 2 125 LEU148 1933 RESIDUE 1 A LEU 1