NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *29 F 4.6928 8.1833 119.0198 56.4095 39.9744 175.4832 30 M 3.9678 8.8557 125.9290 57.0387 31.7655 177.0787 31 Q 4.0845 8.8810 120.7704 59.3418 29.6418 177.1140 32 D 4.4400 8.2195 118.6049 57.6339 41.0817 178.7826 33 F 4.0732 8.7350 121.1006 61.4839 39.4148 177.2182 34 E 4.1322 8.4707 117.8810 59.2697 28.8231 178.9958 35 D 4.4645 8.1608 118.8693 56.9552 40.7442 178.5141 36 I 3.7768 7.8920 121.0578 64.2659 37.2076 178.0127 37 Q 4.0301 8.2401 118.3365 59.1482 28.6399 179.6445 38 K 3.9399 7.8884 120.3433 59.7575 32.2493 178.7552 39 D 4.3923 7.7534 117.8844 57.1899 40.7268 178.8698 40 I 3.6828 8.1217 120.7507 64.5914 37.2161 178.4436 41 E 4.0582 8.3867 119.1878 59.1162 29.2335 179.1691 42 Q 3.9436 7.8767 119.9200 59.0556 28.9940 177.8139 43 L 4.2670 7.8328 119.1573 57.3239 40.5790 177.6519 44 D 4.4737 8.0757 119.0919 56.0372 41.3722 178.0553 45 I 3.7788 7.5893 120.5867 64.2783 37.2959 178.1033 46 K 3.9907 7.8603 118.8009 59.5199 31.9239 178.9083 47 C 4.0894 7.8757 118.3960 62.5629 31.5567 175.4932 48 A 4.1947 7.5628 121.9635 55.5541 17.4779 179.0243 49 H 4.2927 8.3355 116.1227 58.7925 29.6767 177.0630 50 E 4.0707 7.8507 120.5212 58.8420 29.5416 178.5562 51 Q 4.0722 8.0165 117.4263 58.3827 28.6462 178.3504 52 M 4.0015 7.9317 119.7932 58.8724 32.4093 177.7893 53 N 4.2532 7.7245 115.9000 56.4918 38.6366 177.5368 54 I 3.7568 7.4597 121.0107 64.3157 37.2515 177.8828 55 Q 4.1367 8.3785 120.6883 59.3447 28.6079 178.9460 56 K 3.9833 8.4545 119.6115 59.4063 32.0158 178.7328 57 Q 3.9385 7.9008 119.8408 59.9018 28.6914 178.5534 58 Y 4.2379 8.2782 115.9792 60.6548 38.2673 177.5877 59 D 4.6173 8.5172 120.4244 56.7882 40.7246 178.3179 60 E 4.1561 7.9725 120.1920 59.0021 29.6427 178.4539 61 K 4.2730 7.5252 113.8540 57.6922 32.1609 177.8925 62 K 4.2407 8.1122 120.5186 57.3551 33.5189 178.2610 63 K 4.3193 7.4456 118.2150 59.2089 32.2850 176.2146 64 P 4.6828 0.0000 0.0000 65.3985 31.4149 177.6973 65 L 4.0146 7.7698 117.3915 57.1965 42.3075 178.8500 66 F 4.8342 7.9282 118.2733 57.9615 37.4879 175.2241 67 E 4.8219 7.6824 114.6413 56.0733 30.9739 179.3670 68 K 4.3632 8.0145 122.0398 58.7834 32.1206 178.5984 69 R 3.9576 8.1442 118.0803 59.2508 29.9908 178.5715 70 D 4.4527 7.7697 118.4970 57.2530 39.4175 178.0467 71 E 4.1700 7.9402 115.5385 57.7336 29.7842 177.6573 72 I 3.4846 6.8780 119.4955 63.3157 37.9982 177.9199 73 I 3.6883 8.1041 120.4993 63.8391 38.3603 174.4798 74 Q 4.3383 7.6139 120.8784 56.0709 32.2788 173.7379 *75 K 4.4177 9.0103 122.6778 54.5106 29.9780 172.5523 76 I 4.3052 6.6209 123.5182 57.9535 37.2486 172.6895 77 P 4.2256 0.0000 0.0000 64.0964 31.8010 177.1471 78 G 4.0808 8.9489 113.3436 46.1825 0.0000 174.5002 79 F 3.5975 7.9388 121.7978 60.9833 39.7251 175.9605 80 W 4.0480 8.1653 117.6906 59.4450 29.0354 178.1373 81 A 4.1621 8.2099 120.4370 55.1215 17.6557 178.3191 82 N 4.7260 7.6178 111.4598 53.9840 38.9537 176.3184 83 T 4.3570 7.0899 117.8784 65.2346 69.7370 176.7960 84 L 4.0026 8.0395 120.8329 57.7929 41.5192 179.3968 85 R 4.1646 7.5266 114.6183 57.7603 30.0885 177.9874 86 K 4.4705 7.5084 117.4202 55.8786 33.1261 176.1279 87 H 3.9349 8.0147 120.5305 57.2140 29.8011 173.9288 88 P 3.9187 0.0000 0.0000 64.3683 28.1621 176.1409 89 A 4.7355 8.7936 120.9833 52.6236 18.8381 179.7322 90 L 4.0501 9.0259 114.7516 57.5595 41.7000 178.2012 91 S 4.6241 7.7823 110.0083 57.8154 65.0731 174.3210 92 D 4.5333 8.1196 120.8334 56.7375 41.1555 176.7107 93 I 4.3116 7.6319 117.6832 61.2179 37.8676 175.7403 94 V 4.1033 7.2579 111.1205 59.2282 32.5058 174.5428 95 P 4.4536 0.0000 0.0000 62.3498 32.0117 177.6227 96 E 4.1350 9.0060 121.9060 59.8622 29.8473 179.0412 97 D 4.4226 8.3628 118.2518 57.6765 40.8247 178.5636 98 I 4.0819 8.1259 120.3753 64.7978 37.0273 178.1071 99 D 4.5372 8.5612 119.8975 57.6397 40.5182 178.7540 100 I 3.8299 7.4291 118.6257 64.4911 37.3134 177.7439 101 L 4.2637 7.6375 118.5881 57.6464 41.6825 178.0813 102 N 5.3062 8.3703 116.8927 53.5089 35.8671 174.5318 103 H 5.1178 8.7257 122.5455 55.0220 30.3552 173.9659 104 L 3.7098 8.2930 119.4437 54.9610 42.1219 177.1748 105 V 4.2343 8.0974 122.8034 64.1754 32.6308 176.1784 106 K 4.7933 7.5337 117.2542 54.7074 36.1503 176.8915 107 L 4.1232 8.2936 124.0196 53.3608 42.7274 175.3841 108 D 4.5190 8.6128 124.8094 53.6220 42.9426 175.5659 109 L 4.0283 7.2313 122.1363 53.9025 43.0418 174.5627 110 K 4.1638 8.8761 125.1454 55.5066 32.1141 175.2773 111 D 4.6549 8.4284 126.8320 54.2345 43.0323 176.7280 112 N 4.6312 9.0232 120.5223 52.9565 37.1449 175.8319 113 M 5.1510 8.6314 131.0320 55.3147 33.2070 174.8861 114 D 4.3049 7.6517 132.6270 53.8321 39.3892 176.7151 *116 N 4.8456 7.9135 120.0285 49.8485 40.4664 176.4782 117 G 4.7555 7.7797 116.7391 45.3467 0.0000 171.8635 118 S 4.0135 8.5106 121.3879 61.0156 62.8508 173.2179 119 Y 3.4049 7.9558 125.8452 57.7131 36.2085 166.9222 120 K 4.9371 8.5303 123.1688 54.5670 35.9910 174.2083 121 I 5.4640 8.8195 129.4331 59.1149 39.4636 175.0274 122 T 5.1648 8.4696 116.6069 60.5479 70.2960 173.7350 123 F 4.1086 9.3906 121.4208 59.0535 41.3494 172.7794 124 I 3.3796 7.9801 131.3166 61.1055 34.7388 173.0344 125 F 5.2698 8.6540 123.5283 55.5405 41.4555 176.5245 126 G 3.9361 8.5383 111.1337 47.5815 0.0000 174.5761 127 E 4.7297 7.8627 115.5662 54.1185 34.0969 173.1440 128 K 4.2989 8.7736 113.9943 56.7440 31.2513 180.6976 129 A 3.9983 9.3027 132.0949 53.9420 18.0031 179.5203 130 K 4.7002 8.3164 111.9033 56.3375 35.7748 176.0514 131 E 5.0513 7.5525 114.4431 54.5656 32.1484 175.2426 132 F 3.9990 8.6013 122.1772 58.4328 40.4472 175.2531 133 M 4.4454 7.7172 117.5602 54.0693 31.3329 175.5068 134 E 4.2794 8.7845 124.8419 58.6173 30.8423 175.6032 135 P 5.2484 0.0000 0.0000 61.6658 33.1266 175.7829 136 L 4.7699 8.5846 122.0538 53.2266 45.1215 175.3007 137 T 5.3856 8.7104 117.7231 60.2471 70.7890 172.8802 138 L 4.7411 8.7555 128.3334 53.6139 45.1684 174.8217 139 V 4.4490 8.6658 127.6279 61.3432 32.6184 174.9235 140 K 4.5663 8.5226 130.9093 55.9546 35.1248 174.5776 *141 H 4.6237 8.7555 123.0444 55.2393 32.2361 176.2864 *142 V 3.7905 6.7894 106.9204 60.4491 34.8899 171.6853 143 T 5.1103 8.0812 115.2642 61.8396 69.5259 173.2883 *148 Q 4.3335 8.0402 116.9196 54.1988 30.3603 170.3987 149 E 4.5927 7.9648 117.1691 54.5350 30.8803 177.1579 150 K 3.8165 8.0828 121.1899 57.3000 32.4148 176.2462 151 V 3.0398 7.4098 123.6839 63.2213 28.8788 172.3993 152 V 3.8448 7.4883 123.3875 62.5032 33.5288 174.3802 153 E 4.7034 8.4136 117.7998 57.9998 32.6955 176.7118 *154 C 4.1525 9.5594 122.0054 58.6827 27.7548 169.6983 155 T 3.1385 8.2910 110.4034 61.6415 65.8627 172.4622 156 R 4.3153 8.2676 126.8573 53.5769 30.0337 175.8204 157 I 3.5181 8.0633 127.5270 60.8245 37.0931 176.4842 158 K 4.2984 7.9586 126.4354 54.5947 32.2209 175.8404 159 W 4.5849 8.3033 124.7475 56.1839 30.0099 176.5600 160 K 4.2937 9.2581 124.4226 55.1952 32.7229 177.8921 161 E 4.2939 8.3259 119.9087 54.9458 27.1254 176.4939 162 G 3.8930 8.2884 113.7621 44.4144 0.0000 171.5370 *163 K 4.7640 7.6397 135.0000 54.8336 32.6695 171.8066 164 N 3.8225 6.5433 124.6540 53.7543 36.9161 175.5405 165 P 4.3907 0.0000 0.0000 63.1391 31.4157 174.7230 166 I 4.4817 8.0130 119.9687 57.1970 39.0201 173.0676 167 A 4.3047 8.2036 126.0290 52.6419 17.8706 176.7819 *185 I 4.1719 7.0178 118.6191 59.9639 37.6042 177.4885 186 F 4.9406 9.1314 115.3156 59.8532 39.1149 177.2865 187 E 4.3443 8.3728 120.7057 58.2543 29.5382 177.9432 188 W 4.3038 8.3476 128.5125 60.3068 30.8585 176.1508 189 F 4.1072 8.2139 116.0994 58.2042 38.4293 174.7441 190 T 4.6082 7.3859 118.8139 62.4886 70.8006 175.7146 *191 T 4.0666 7.2383 107.9261 59.4633 71.4178 169.9587 192 D 4.6237 8.3842 119.3614 55.7943 42.6323 174.9170 193 E 4.5098 7.8600 119.2272 55.4484 32.6342 175.2750 194 L 4.1644 8.6634 127.6208 56.5474 43.3183 178.6779 *195 Q 4.1598 7.9388 113.5278 54.6680 24.7798 178.3883 196 D 4.8355 8.7892 119.8389 56.5347 42.9049 178.3390 *197 K 4.6212 7.5039 118.9404 53.3670 31.1667 183.2156 198 P 5.0235 0.0000 0.0000 62.7833 33.6733 172.6265 199 D 4.8285 8.5981 121.3788 52.1203 40.0816 177.3972 200 V 3.3335 7.5101 124.5714 65.2315 30.9915 177.9507 201 G 3.9626 7.0006 105.8182 47.0712 0.0000 174.7680 202 E 4.2086 8.2119 120.2078 58.0708 30.1159 178.5448 203 L 4.0262 7.5993 118.9194 56.9800 42.0398 177.2752 204 I 3.8043 6.7949 118.7585 61.9966 37.4869 175.1601 205 R 3.6344 9.9380 123.0251 61.0135 27.4429 175.0521 *206 R 4.3166 8.2714 123.3533 56.8080 27.1363 173.5054 207 E 4.9678 8.0905 112.1202 56.6523 34.4686 175.8820 208 I 4.7095 7.6914 116.7811 61.4515 39.6993 176.8745 209 W 4.2977 8.5931 129.4598 60.6195 30.9351 176.3841 210 H 4.3050 8.6829 116.6468 58.6616 29.2107 174.7827 211 N 4.7159 7.7876 119.8459 50.4097 39.7473 172.0056 212 P 4.7278 0.0000 0.0000 64.7785 31.7621 177.8371 213 L 4.1672 7.9953 120.3069 58.2446 41.8113 178.7290 214 S 4.0387 8.0430 114.3273 61.6071 62.7433 175.7530 215 Y 4.2946 7.8224 117.9088 60.4180 38.1199 176.5446 216 Y 4.2456 8.0652 118.6672 58.9091 38.9421 175.4721 217 L 4.0802 7.4317 124.2136 55.3137 42.1829 176.0115 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 *29 F 8.18 4.69 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 M 8.86 3.97 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 31 Q 8.88 4.08 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 32 D 8.22 4.44 0.00 2.92 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.74 4.07 0.00 3.23 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 34 E 8.47 4.13 0.00 2.13 2.04 0.00 0.00 0.00 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 2.69 0.00 35 D 8.16 4.46 0.00 2.92 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.89 3.78 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.73 0.76 0.00 0.00 37 Q 8.24 4.03 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.92 0.00 0.00 0.00 0.00 0.00 2.91 2.58 0.00 38 K 7.89 3.94 0.00 2.00 1.81 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.64 7.81 39 D 7.75 4.39 0.00 2.89 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.12 3.68 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.95 0.92 0.00 0.00 41 E 8.39 4.06 0.00 2.29 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 42 Q 7.88 3.94 0.00 2.41 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 43 L 7.83 4.27 0.00 1.93 1.90 0.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.08 4.47 0.00 3.02 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.59 3.78 2.15 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.93 0.92 0.00 0.00 46 K 7.86 3.99 0.00 1.81 1.90 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.61 7.81 47 C 7.88 4.09 0.00 3.15 3.09 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 0.00 0.00 0.00 48 A 7.56 4.19 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.34 4.29 0.00 3.31 3.50 0.00 5.77 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.85 4.07 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.63 0.00 51 Q 8.02 4.07 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 52 M 7.93 4.00 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.66 0.00 53 N 7.72 4.25 0.00 2.89 2.84 0.00 0.00 7.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.46 3.76 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.54 1.14 0.00 0.00 55 Q 8.38 4.14 0.00 2.30 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.74 0.00 56 K 8.45 3.98 0.00 1.99 1.85 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.66 7.81 57 Q 7.90 3.94 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 1.88 2.23 0.00 58 Y 8.28 4.24 0.00 3.11 2.98 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 59 D 8.52 4.62 0.00 2.93 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 60 E 7.97 4.16 0.00 2.16 2.08 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 2.31 2.37 0.00 61 K 7.53 4.27 0.00 1.85 1.91 0.00 1.28 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.54 7.81 62 K 8.11 4.24 0.00 2.07 1.53 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.10 1.37 7.81 63 K 7.45 4.32 0.00 1.93 2.03 0.00 1.86 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.62 7.81 64 P 0.00 4.68 0.00 2.26 2.18 0.00 3.54 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 65 L 7.77 4.01 0.00 1.47 1.46 0.79 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 66 F 7.93 4.83 0.00 3.40 3.14 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 0.00 0.00 0.00 0.00 67 E 7.68 4.82 0.00 2.18 1.90 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 2.31 2.57 0.00 68 K 8.01 4.36 0.00 1.56 1.67 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.35 7.81 69 R 8.14 3.96 0.00 1.90 2.05 0.00 3.48 0.00 0.00 3.52 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.88 0.00 70 D 7.77 4.45 0.00 2.94 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 7.94 4.17 0.00 2.02 2.08 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 2.36 2.29 0.00 72 I 6.88 3.48 1.80 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.88 0.57 0.00 0.00 73 I 8.10 3.69 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.75 0.98 0.00 0.00 74 Q 7.61 4.34 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 5.49 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 *75 K 9.01 4.42 0.00 2.01 1.86 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 1.01 7.81 76 I 6.62 4.31 1.65 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.75 0.72 0.00 0.00 77 P 0.00 4.23 0.00 2.08 2.07 0.00 3.86 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 78 G 8.95 4.08 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 0.00 0.00 0.00 79 F 7.94 3.60 0.00 2.90 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 W 8.17 4.05 0.00 3.48 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 4.16 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 0.00 0.00 0.00 0.00 0.00 82 N 7.62 4.73 0.00 2.84 2.97 0.00 0.00 6.97 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.09 4.36 4.12 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 1.19 0.00 0.00 84 L 8.04 4.00 0.00 1.98 1.73 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.53 4.16 0.00 1.91 2.01 0.00 3.19 0.00 0.00 3.66 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.94 0.00 86 K 7.51 4.47 0.00 1.93 1.99 0.00 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0.00 0.00 0.00 0.80 0.00 0.00 1.00 0.00 0.00 95 P 0.00 4.45 0.00 2.21 2.05 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 96 E 9.01 4.13 0.00 2.09 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 2.43 2.44 0.00 97 D 8.36 4.42 0.00 2.66 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.13 4.08 2.16 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.24 1.10 0.00 0.00 99 D 8.56 4.54 0.00 3.13 2.81 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 0.00 100 I 7.43 3.83 1.94 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 1.36 0.62 0.99 0.00 0.00 101 L 7.64 4.26 0.00 2.37 1.77 0.74 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.37 5.31 0.00 3.14 3.03 0.00 0.00 6.80 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.73 5.12 0.00 3.64 3.50 0.00 5.81 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.29 3.71 0.00 1.69 1.38 1.25 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.10 4.23 2.10 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 0.79 0.00 0.00 1.01 0.00 0.00 106 K 7.53 4.79 0.00 1.74 1.65 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.40 7.81 107 L 8.29 4.12 0.00 0.27 0.13 -0.37 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.61 4.52 0.00 2.56 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.23 4.03 0.00 0.28 0.13 0.41 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.88 4.16 0.00 1.69 1.73 0.00 1.70 0.00 0.00 1.50 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.51 7.81 111 D 8.43 4.65 0.00 2.46 2.49 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 0.00 112 N 9.02 4.63 0.00 2.84 3.03 0.00 0.00 6.50 7.66 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 0.00 113 M 8.63 5.15 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.84 0.00 114 D 7.65 4.30 0.00 2.70 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *116 N 7.91 4.85 0.00 2.76 2.80 0.00 0.00 6.87 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.78 4.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.51 4.01 0.00 4.07 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 7.96 3.40 0.00 3.14 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.53 4.94 0.00 1.81 1.60 0.00 1.68 0.00 0.00 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2.48 0.00 0.00 0.00 0.00 0.30 0.73 7.81 129 A 9.30 4.00 1.31 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 0.00 0.00 0.00 130 K 8.32 4.70 0.00 1.79 1.99 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.41 7.81 131 E 7.55 5.05 0.00 1.59 1.12 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 1.76 1.83 0.00 132 F 8.60 4.00 0.00 2.99 2.98 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 0.00 133 M 7.72 4.45 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.28 0.00 134 E 8.78 4.28 0.00 1.99 2.42 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 2.40 2.30 0.00 135 P 0.00 5.25 0.00 1.98 2.02 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 136 L 8.58 4.77 0.00 1.44 0.97 0.96 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.40 -0.66 0.00 0.00 158 K 7.96 4.30 0.00 1.60 1.71 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.37 7.81 159 W 8.30 4.58 0.00 3.12 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 K 9.26 4.29 0.00 1.66 1.82 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.64 7.81 161 E 8.33 4.29 0.00 1.97 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 2.34 2.26 0.00 162 G 8.29 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 0.00 0.00 0.00 *163 K 7.64 4.76 0.00 1.89 1.86 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.14 0.76 7.81 164 N 6.54 3.82 0.00 2.32 1.83 0.00 0.00 6.89 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 P 0.00 4.39 0.00 2.09 1.83 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.58 0.00 166 I 8.01 4.48 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.22 0.91 0.00 0.00 167 A 8.20 4.30 1.24 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 0.00 0.00 0.00 *185 I 7.02 4.17 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.74 0.91 0.00 0.00 186 F 9.13 4.94 0.00 3.50 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 E 8.37 4.34 0.00 2.09 2.12 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 2.42 2.43 0.00 188 W 8.35 4.30 0.00 3.06 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 F 8.21 4.11 0.00 3.25 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.39 4.61 4.39 0.00 0.00 0.00 0.00 0.00 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 *191 T 7.24 4.07 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 1.21 0.00 0.00 192 D 8.38 4.62 0.00 2.55 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.51 0.00 1.88 1.81 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 2.19 2.29 0.00 194 L 8.66 4.16 0.00 1.68 1.78 1.10 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 *195 Q 7.94 4.16 0.00 2.18 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.13 1.87 0.00 196 D 8.79 4.84 0.00 2.61 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 *197 K 7.50 4.62 0.00 1.81 0.77 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.36 1.00 7.81 198 P 0.00 5.02 0.00 2.08 1.99 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 199 D 8.60 4.83 0.00 3.34 3.07 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 0.00 200 V 7.51 3.33 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.43 0.00 0.00 201 G 7.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 E 8.21 4.21 0.00 2.50 2.11 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 0.00 2.39 2.44 0.00 203 L 7.60 4.03 0.00 1.49 1.41 0.66 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 204 I 6.79 3.80 1.63 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.34 0.81 0.00 0.00 205 R 9.94 3.63 0.00 1.81 1.72 0.00 2.91 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.40 0.00 *206 R 8.27 4.32 0.00 1.93 2.18 0.00 3.24 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.02 0.00 207 E 8.09 4.97 0.00 2.16 2.12 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 2.35 2.42 0.00 208 I 7.69 4.71 1.94 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.52 1.05 0.00 0.00 209 W 8.59 4.30 0.00 3.41 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 H 8.68 4.30 0.00 3.22 3.44 0.00 5.92 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 N 7.79 4.72 0.00 2.45 2.63 0.00 0.00 6.98 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 P 0.00 4.73 0.00 2.22 2.40 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.85 0.00 213 L 8.00 4.17 0.00 1.79 1.87 1.10 1.08 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 0.00 214 S 8.04 4.04 0.00 3.71 3.64 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 0.00 215 Y 7.82 4.29 0.00 3.12 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 0.00 216 Y 8.07 4.25 0.00 2.50 3.14 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 0.00 0.00 0.00 0.00 217 L 7.43 4.08 0.00 1.58 1.42 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.