NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 57 K 4.0867 8.2993 121.7656 56.1442 33.0893 175.6773 58 I 3.7202 8.2286 120.3841 61.1533 38.1815 174.3924 59 Y 4.6298 7.2242 119.3742 55.8879 40.0109 176.5529 60 T 4.1545 8.5809 112.9843 61.3881 70.0596 176.1810 61 K 4.3699 8.3978 119.8978 56.9272 30.2076 177.2994 62 T 4.0911 7.8315 107.9764 63.2022 69.0261 175.3491 63 G 4.3833 7.9021 110.9310 45.1723 0.0000 175.1281 64 D 4.4211 8.1722 121.0581 56.1363 40.9084 177.3784 65 K 4.3345 8.1931 116.9999 56.0555 32.3429 177.1196 66 G 3.6236 8.1823 107.6420 45.0553 0.0000 173.1421 67 F 5.3485 7.4843 117.3647 56.0327 42.7412 174.0215 68 S 4.9326 9.0110 114.2929 58.0002 66.4398 172.7015 69 S 5.5081 8.6142 118.1001 57.2271 64.4352 174.7887 70 T 4.4900 8.8790 114.5622 60.5866 70.6748 175.4903 71 F 4.7335 9.2360 118.3173 59.0177 38.3763 176.4952 72 T 4.3489 7.8286 117.4277 63.0159 69.3717 175.7658 73 G 3.9699 8.5171 110.0222 45.0079 0.0000 173.1339 74 E 4.2292 7.8432 121.4721 55.9345 30.9806 175.5489 75 R 4.9779 8.5699 125.7941 55.8201 31.3166 175.9293 76 R 5.0213 9.3594 121.8556 53.6062 35.1715 173.1232 77 P 4.7368 0.0000 0.0000 62.6625 32.2891 177.8409 78 K 3.9692 8.6602 121.5753 58.1171 32.1107 177.6892 79 D 4.7414 7.8450 117.3842 52.7834 40.1370 176.1071 80 D 4.4755 8.1749 120.7498 54.7911 41.8262 177.3445 81 Q 4.0910 8.6622 123.8599 58.5691 28.6131 179.4217 82 V 3.3781 7.8390 119.8959 65.9796 31.4421 178.0184 83 F 4.4694 7.8936 117.4233 60.2204 38.7252 177.4763 84 E 3.9391 8.2378 118.6141 59.1660 29.5015 178.6096 85 A 3.9662 8.0041 120.9417 55.0131 18.3637 179.8276 86 V 3.5884 7.9138 116.9793 65.9911 31.5568 178.5723 87 G 3.5968 8.3595 105.6230 48.2126 0.0000 175.7817 88 T 3.8370 7.9171 118.6144 66.5884 68.5580 176.7498 89 T 3.8642 7.9245 117.6434 66.6224 68.3786 176.0861 90 D 4.3253 8.3521 120.1406 57.3207 41.3139 177.6100 91 E 3.9334 8.8603 120.3447 59.4937 29.5676 178.6166 92 L 3.9531 8.1323 120.1806 58.2893 42.0516 178.9542 93 S 4.2089 7.9971 112.7744 61.4582 62.3371 176.2603 94 S 4.1821 8.6176 118.1587 61.3713 62.4568 176.6428 95 A 4.1727 8.1027 123.6356 55.2686 18.1511 179.5526 96 I 3.8429 8.0356 118.5569 64.5879 36.9665 178.6097 97 G 3.8137 8.2285 105.5967 48.0182 0.0000 175.1484 98 F 4.2929 8.4600 122.9085 60.9584 39.4634 177.0448 99 A 3.9684 8.4407 120.5121 55.2623 17.6841 179.5604 100 L 3.9976 8.2585 117.4919 57.7663 41.4341 179.0237 101 E 4.1309 7.8839 116.9670 57.7419 29.6019 177.9252 102 L 4.3367 7.4222 117.8662 53.9048 42.1193 176.7248 103 V 3.8178 6.8944 119.4965 62.7540 31.7932 175.7757 104 T 4.0816 8.6309 118.1966 64.3972 69.2900 175.1893 105 E 4.3233 7.8650 119.9007 54.8733 30.6430 175.8642 106 K 4.2002 8.2855 122.1116 56.8318 33.2810 176.3688 107 G 3.7465 8.5804 110.4363 46.6121 0.0000 173.0259 108 H 4.3672 7.7416 116.6319 54.8339 29.8192 176.7228 109 T 3.7892 8.5061 118.5740 64.9352 67.1915 176.3049 110 F 4.5370 8.5723 117.4627 59.3620 37.6372 177.2484 111 A 3.8870 6.7944 121.0149 54.8199 18.0178 179.1450 112 E 3.8429 7.9199 117.3667 59.3438 29.4135 178.7675 113 E 3.5032 7.9660 118.5203 59.3386 29.3810 179.3546 114 L 4.0898 8.2578 119.2944 57.8043 41.5540 179.4344 115 Q 4.2575 7.9211 120.4169 58.6554 29.0314 178.3550 116 K 4.0742 8.4185 119.8171 59.5636 32.0173 179.3173 117 I 3.9489 8.3558 120.5308 64.6383 36.8190 178.3464 118 Q 4.1123 8.5269 119.1002 59.2436 28.4734 179.0198 119 C 4.2740 7.9297 117.4416 63.2167 28.2474 176.1886 120 T 3.8577 8.0960 117.2901 66.6350 67.9090 176.6599 121 L 4.1681 8.3427 121.3650 57.5617 41.5524 179.3032 122 Q 3.9866 8.0396 119.2306 59.4124 29.0608 177.9923 123 D 4.4478 7.8878 119.4566 57.4069 40.8355 179.0609 124 V 3.4577 8.4163 119.1807 65.8027 31.5141 177.9590 125 G 3.8061 8.3974 105.9254 48.3039 0.0000 175.7261 126 S 3.9375 8.0683 116.1941 60.9350 63.1654 176.3162 127 A 4.1837 8.1418 123.4833 55.3141 17.9465 179.7561 128 L 3.8653 7.7251 115.9808 57.5527 41.9930 178.8675 129 A 3.9511 7.7028 118.6842 52.5517 19.2603 176.9020 130 T 4.6632 7.0943 113.9142 60.7212 67.2989 172.0195 131 P 4.5306 0.0000 0.0000 62.6503 32.7972 178.4020 132 C 4.2825 8.8509 120.0793 62.9240 28.4279 176.4059 133 S 4.0549 8.2102 113.7827 61.4550 62.5123 175.8523 134 S 4.4720 7.3384 110.4504 57.9941 63.1071 173.6172 135 A 3.9308 7.3243 126.9881 51.7216 19.1097 176.9083 *142 Y 4.7665 8.4031 114.1872 59.2755 38.9335 173.6899 143 T 3.9719 8.6302 121.9986 63.9700 68.2102 172.8568 144 T 4.6162 8.3025 115.7073 59.4126 71.2312 173.5403 145 F 4.6014 8.6449 126.4228 56.0862 39.7388 175.7276 146 K 4.0563 7.8299 127.5668 56.1047 32.8259 178.1702 147 A 4.2422 8.5217 123.2143 54.1701 18.3077 180.1269 148 G 3.7445 7.3172 105.6603 47.9242 0.0000 174.1991 149 P 4.2986 0.0000 0.0000 64.4555 31.2579 178.8374 150 I 3.8252 7.8774 118.7811 64.5284 37.1845 178.0236 151 L 4.1781 7.7171 120.5531 57.1990 41.4496 179.3910 152 E 3.4892 8.1015 119.1363 59.0503 29.4147 178.7781 153 L 3.7822 7.6059 118.9782 57.8598 41.1701 179.4522 154 E 3.9691 8.2240 118.7056 59.1321 29.3341 179.1585 155 Q 3.9531 7.8930 119.6793 59.0623 29.3004 178.3132 156 W 4.3997 7.8892 119.8944 59.9019 29.0788 178.3568 157 I 3.8833 8.3792 120.0354 64.7565 36.6975 178.1628 158 D 4.3454 8.0308 118.9987 57.1282 40.4151 178.3155 159 K 3.6649 7.6658 118.9601 60.1090 32.3091 177.9932 160 Y 4.2059 7.2256 116.0146 61.4047 37.7130 178.3057 161 T 3.9437 8.3748 117.3658 66.7171 68.3653 176.1227 162 S 4.3977 7.9172 113.6580 59.7917 63.5531 174.7647 163 Q 4.4357 7.9722 120.3100 55.9349 29.1364 175.4270 164 L 4.6441 7.2860 118.6442 52.3019 43.2633 174.8826 165 P 4.3932 0.0000 0.0000 61.8034 31.9179 174.7893 166 P 4.2536 0.0000 0.0000 63.0190 31.7450 175.5352 167 L 4.7274 8.4984 123.6050 53.5537 43.7987 175.7951 168 T 4.4642 8.5009 114.5704 61.5054 70.6662 174.2447 169 A 4.3184 7.8844 124.4658 51.8396 19.3688 175.8024 170 F 4.6473 8.6949 121.8015 57.0740 41.0426 174.5235 171 I 4.6004 7.7555 127.4689 60.1913 37.7614 175.7977 172 L 4.3080 8.5295 128.0904 53.5889 42.5042 175.2701 173 P 3.8177 0.0000 0.0000 63.7421 31.4080 175.6421 174 S 4.4231 8.1979 117.0600 57.8610 65.2215 176.2068 175 G 3.9746 9.2708 111.2057 46.0596 0.0000 173.7421 176 G 3.8833 8.3990 105.4198 44.1449 0.0000 175.3206 177 K 3.9016 8.6397 117.2296 59.7560 31.8575 179.2813 178 I 3.6566 7.7213 119.1025 64.7374 37.0960 177.9888 179 S 3.9509 8.0066 112.9385 61.7650 62.1884 176.5978 180 S 4.1796 8.4800 117.6606 61.6204 62.5602 176.4586 181 A 4.2098 8.6531 123.8053 55.3014 18.0138 179.6862 182 L 4.0302 8.4211 117.8470 57.9872 41.6613 179.3313 183 H 4.2325 8.3079 116.5193 58.6068 28.6276 177.4780 184 F 4.2188 8.2960 121.9745 61.6793 39.3340 176.6065 185 C 3.8152 8.4033 116.5149 63.1269 27.9317 176.3562 186 R 3.8891 8.3028 119.9120 59.4091 29.6057 178.3481 187 A 3.9533 7.8495 120.5151 55.2903 18.3368 179.8588 188 V 3.3692 7.5301 116.6364 65.8419 31.4382 177.9702 189 C 4.0607 8.0160 118.6979 62.5588 31.4863 175.6042 190 R 4.2143 8.2454 121.4211 58.5592 29.5612 179.0420 191 R 3.8082 8.1400 118.3353 59.3433 30.2324 178.3264 192 A 3.9534 8.0416 120.6245 55.1818 18.2612 179.0685 193 E 3.8715 8.4955 117.4776 60.0878 29.4289 180.1458 194 R 4.0360 7.7499 115.9296 59.1708 30.1183 178.9426 195 R 4.1187 7.6868 116.9729 58.4177 30.4444 178.5178 196 V 3.7532 7.5792 118.0437 65.1056 31.5539 177.7943 197 V 3.5451 7.6566 118.3974 65.9045 31.2730 176.1459 198 P 4.2371 0.0000 0.0000 65.5320 31.2140 178.4295 199 L 3.9310 7.8638 117.1841 57.9235 41.5992 179.6814 200 V 3.9171 7.7586 119.2659 65.6978 31.2565 178.1221 201 Q 4.0765 8.0061 116.9505 58.6354 28.5463 177.5308 202 M 4.4700 7.9143 115.8664 54.7722 31.4841 176.7371 203 G 3.9227 7.7991 106.3392 46.7898 0.0000 175.2101 204 E 4.1983 8.2071 121.5757 58.2324 29.9036 177.0816 205 T 4.7671 7.4211 114.5316 60.9963 72.5603 172.5862 206 D 4.3141 8.8464 124.0236 54.8336 41.7181 177.1035 207 A 4.0095 8.9073 127.7352 55.6887 18.1045 179.3111 208 N 4.3380 9.7308 115.9140 56.3405 38.4184 177.7747 209 V 2.9232 7.9036 119.7653 65.5131 31.6043 177.8865 210 A 3.9436 7.8370 120.0312 55.0540 18.2404 179.2856 211 K 3.8263 8.2374 117.2359 59.7560 32.1778 179.0793 212 F 4.0662 8.5185 120.8329 61.5238 39.2629 177.2481 213 L 4.0521 7.8664 118.1991 57.3907 41.3872 179.0924 214 N 4.9245 8.0592 118.5574 56.4015 38.9628 176.9415 215 R 3.8749 8.2231 120.4941 59.3507 30.0869 178.2083 216 L 3.8514 8.0254 120.5679 57.9107 42.0418 179.0918 217 S 4.1436 8.2077 115.5920 61.6143 62.7887 176.3043 218 D 4.3863 7.9359 120.9510 57.5853 40.5403 177.9921 219 Y 4.1145 8.2310 120.0448 61.0686 38.7445 178.5070 220 L 3.9896 8.2231 119.6639 57.4689 41.7130 179.2097 221 F 4.0366 8.1874 120.7490 61.6485 39.4419 177.4126 222 T 3.7667 8.0167 109.2842 64.3768 68.6598 176.3988 223 L 3.2171 7.7529 123.3498 57.5683 41.9544 178.7378 224 A 3.8335 7.6393 120.7946 55.0255 18.1642 179.8633 225 R 3.6576 7.3847 116.6334 59.2995 29.9748 178.6845 226 Y 3.8939 7.7331 119.1492 60.4633 38.7788 177.7047 227 A 3.5611 8.1321 121.8674 55.0236 18.3637 179.4355 228 A 3.9630 7.7581 119.2358 55.3952 18.3088 179.6408 229 M 3.8424 7.9713 116.6938 58.6496 32.1339 178.4716 230 K 3.7049 7.5258 117.5548 59.5547 32.3183 178.7259 231 E 4.1325 8.0208 116.4988 56.3503 29.6727 176.9484 232 G 3.7363 7.8951 107.2099 46.5678 0.0000 173.6152 233 N 4.6798 8.1232 119.4334 50.9936 39.3076 174.2455 234 Q 4.0185 8.5899 125.7192 56.1443 29.2922 176.3970 235 E 4.5177 8.4282 120.4613 54.8990 31.7764 175.6505 236 K 4.4499 8.4932 119.8519 56.0776 33.7436 176.0108 237 I 5.1195 8.0658 123.0892 59.2398 40.1864 174.8850 238 Y 4.3374 8.9555 126.9009 58.3743 39.1868 175.3736 239 M 4.3975 7.6840 124.8672 53.2792 35.3673 174.7797 240 K 3.8627 8.2404 125.1126 56.5819 32.3936 176.2356 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 57 K 8.30 4.09 0.00 1.52 1.49 0.00 1.51 0.00 0.00 1.38 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.67 7.81 58 I 8.23 3.72 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.02 0.92 0.00 0.00 59 Y 7.22 4.63 0.00 3.07 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.58 4.15 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 61 K 8.40 4.37 0.00 2.10 2.16 0.00 1.74 0.00 0.00 1.93 0.00 0.00 3.06 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.59 1.63 7.81 62 T 7.83 4.09 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 63 G 7.90 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.17 4.42 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.19 4.33 0.00 1.86 2.08 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.54 7.81 66 G 8.18 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.48 5.35 0.00 3.06 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 9.01 4.93 0.00 3.52 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.61 5.51 0.00 3.94 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.88 4.49 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 71 F 9.24 4.73 0.00 3.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.83 4.35 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 73 G 8.52 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 7.84 4.23 0.00 2.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 75 R 8.57 4.98 0.00 1.74 1.90 0.00 3.46 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 76 R 9.36 5.02 0.00 2.06 1.94 0.00 2.99 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 77 P 0.00 4.74 0.00 2.26 1.85 0.00 3.75 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 78 K 8.66 3.97 0.00 1.59 1.69 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.03 1.23 7.81 79 D 7.85 4.74 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.17 4.48 0.00 2.93 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.66 4.09 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 82 V 7.84 3.38 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.76 0.00 0.00 83 F 7.89 4.47 0.00 3.40 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.24 3.94 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 85 A 8.00 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.91 3.59 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.88 0.00 0.00 87 G 8.36 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.92 3.84 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 89 T 7.92 3.86 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 90 D 8.35 4.33 0.00 2.81 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.86 3.93 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 92 L 8.13 3.95 0.00 1.79 1.88 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.00 4.21 0.00 4.04 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.62 4.18 0.00 4.20 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.10 4.17 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.04 3.84 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.68 1.01 0.00 0.00 97 G 8.23 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.46 4.29 0.00 3.26 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.44 3.97 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.26 4.00 0.00 2.00 1.74 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.88 4.13 0.00 1.56 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 102 L 7.42 4.34 0.00 1.70 1.65 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 103 V 6.89 3.82 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.07 0.00 0.00 104 T 8.63 4.08 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 105 E 7.87 4.32 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 106 K 8.29 4.20 0.00 1.67 1.65 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.38 7.81 107 G 8.58 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 H 7.74 4.37 0.00 2.57 2.03 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.51 3.79 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 110 F 8.57 4.54 0.00 3.26 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 6.79 3.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.92 3.84 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 113 E 7.97 3.50 0.00 2.09 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 114 L 8.26 4.09 0.00 1.91 1.83 1.15 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 7.92 4.26 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 116 K 8.42 4.07 0.00 2.21 2.05 0.00 1.84 0.00 0.00 1.98 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.69 7.81 117 I 8.36 3.95 2.16 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.02 1.07 0.00 0.00 118 Q 8.53 4.11 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.70 0.00 119 C 7.93 4.27 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.10 3.86 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 121 L 8.34 4.17 0.00 1.89 1.78 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 8.04 3.99 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 123 D 7.89 4.45 0.00 2.98 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.42 3.46 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.66 0.00 0.00 125 G 8.40 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 8.38 3.88 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.13 0.99 0.00 0.00 158 D 8.03 4.35 0.00 2.87 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 7.67 3.66 0.00 1.59 1.61 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.66 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.70 1.27 7.81 160 Y 7.23 4.21 0.00 2.96 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 T 8.37 3.94 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 162 S 7.92 4.40 0.00 4.08 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 7.97 4.44 0.00 2.41 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 164 L 7.29 4.64 0.00 1.76 1.60 0.92 0.98 0.00 0.00 0.00 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0.00 181 A 8.65 4.21 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 L 8.42 4.03 0.00 1.71 1.64 0.71 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 183 H 8.31 4.23 0.00 3.49 3.45 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 F 8.30 4.22 0.00 3.19 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 C 8.40 3.82 0.00 3.24 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 R 8.30 3.89 0.00 1.93 2.18 0.00 3.17 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 187 A 7.85 3.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 V 7.53 3.37 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.24 0.00 0.00 189 C 8.02 4.06 0.00 3.15 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 R 8.25 4.21 0.00 2.05 1.95 0.00 3.16 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.54 0.00 191 R 8.14 3.81 0.00 1.95 2.04 0.00 3.10 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 192 A 8.04 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 E 8.50 3.87 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 194 R 7.75 4.04 0.00 1.94 1.98 0.00 3.14 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 195 R 7.69 4.12 0.00 1.92 1.96 0.00 3.31 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.76 0.00 196 V 7.58 3.75 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.93 0.00 0.00 197 V 7.66 3.55 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.97 0.00 0.00 198 P 0.00 4.24 0.00 2.16 2.07 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 199 L 7.86 3.93 0.00 1.92 1.66 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 200 V 7.76 3.92 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.97 0.00 0.00 201 Q 8.01 4.08 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 202 M 7.91 4.47 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.79 0.00 203 G 7.80 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 E 8.21 4.20 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 205 T 7.42 4.77 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 206 D 8.85 4.31 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 A 8.91 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 N 9.73 4.34 0.00 3.14 3.26 0.00 0.00 6.56 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 V 7.90 2.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.44 0.00 0.00 210 A 7.84 3.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 K 8.24 3.83 0.00 1.96 1.95 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.60 7.81 212 F 8.52 4.07 0.00 3.33 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 L 7.87 4.05 0.00 1.69 1.69 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 214 N 8.06 4.92 0.00 2.90 2.96 0.00 0.00 6.68 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 R 8.22 3.87 0.00 2.02 1.73 0.00 3.20 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 216 L 8.03 3.85 0.00 1.15 1.58 0.86 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 217 S 8.21 4.14 0.00 4.03 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 D 7.94 4.39 0.00 2.95 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 Y 8.23 4.11 0.00 3.17 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 L 8.22 3.99 0.00 1.83 1.75 0.99 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 221 F 8.19 4.04 0.00 3.10 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 T 8.02 3.77 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 223 L 7.75 3.22 0.00 0.81 1.21 -0.19 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 224 A 7.64 3.83 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 R 7.38 3.66 0.00 1.83 1.81 0.00 2.65 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.01 0.00 226 Y 7.73 3.89 0.00 2.88 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 A 8.13 3.56 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 A 7.76 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 M 7.97 3.84 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 230 K 7.53 3.70 0.00 1.46 1.68 0.00 1.45 0.00 0.00 1.02 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.65 0.96 7.81 231 E 8.02 4.13 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 232 G 7.90 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 N 8.12 4.68 0.00 2.61 2.78 0.00 0.00 7.04 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 Q 8.59 4.02 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 235 E 8.43 4.52 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 236 K 8.49 4.45 0.00 1.73 1.78 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.57 7.81 237 I 8.07 5.12 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 1.10 0.00 0.00 238 Y 8.96 4.34 0.00 3.13 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 M 7.68 4.40 0.00 1.79 1.74 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 240 K 8.24 3.86 0.00 1.67 1.59 0.00 1.90 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.