NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.5080 0.0000 0.0000 62.7117 33.2129 174.8954 6 S 5.3306 8.5041 116.0631 55.9730 66.6973 167.5420 7 V 5.0902 9.8590 121.9580 61.6518 35.8142 174.9049 8 F 5.4612 9.6577 126.7677 56.1863 40.8412 174.3051 9 L 5.2306 9.3372 127.1952 53.3511 44.4379 175.0392 10 I 5.2877 8.7918 126.7836 58.6608 40.4548 173.9862 11 D 4.9029 8.5333 124.4034 53.5398 43.4415 174.7919 12 D 4.3609 8.8931 123.6625 56.2201 41.8415 176.2583 13 D 4.5437 8.4597 118.8689 53.1019 41.2276 176.1292 14 R 3.8830 8.5752 127.9068 59.8108 30.0756 177.8068 15 D 4.3163 8.0961 117.8267 57.2806 40.8626 178.3409 16 L 3.9454 8.4672 121.0687 58.1014 41.9968 178.9427 17 R 3.9341 8.3512 119.0202 59.4364 30.0021 178.7119 18 K 3.9685 8.1519 118.1255 59.2831 32.0424 179.2618 19 A 4.0144 8.0939 121.1188 55.4249 18.2797 179.6175 20 M 4.1044 8.4761 117.6484 58.5620 31.9612 178.7714 21 Q 3.9611 8.4297 120.0123 59.2911 29.1699 178.3611 22 Q 4.0043 8.2586 119.0492 59.2379 28.6158 178.8597 23 T 3.8967 8.0378 116.6615 66.7417 68.4828 176.7155 24 L 4.0576 8.1141 120.8610 57.8886 41.6474 179.4590 25 E 4.6912 8.4887 120.1820 58.9819 29.2216 179.1581 26 L 4.2260 8.2120 117.2086 56.3890 41.7947 178.0655 27 A 4.6110 7.5653 119.7129 51.6999 19.2111 177.6882 28 G 3.8455 8.1716 106.5237 45.1520 0.0000 173.9247 29 F 4.7678 8.5375 118.7551 56.9125 41.1940 174.9003 30 T 4.7915 9.1160 119.2281 62.4047 69.8833 173.8859 31 V 4.9331 8.5278 126.4841 61.1549 34.2404 174.8351 32 S 4.6056 9.1312 123.6962 56.7739 65.2302 172.9825 33 S 5.1896 8.1738 119.8004 56.6775 64.7832 173.6128 34 F 4.9578 9.5781 120.6459 55.8906 42.8181 175.4614 35 A 4.7860 8.9490 123.0997 52.4868 19.9113 177.9745 36 S 4.6883 7.7329 111.0003 55.5422 66.8299 174.8257 37 A 3.9843 8.6505 127.0323 55.3626 18.1346 179.9215 38 T 3.7491 7.8115 113.9579 66.8222 68.3737 176.2414 39 E 3.8974 7.6862 119.7384 59.0168 29.9659 178.4197 40 A 2.5800 7.3276 120.3069 54.6151 18.4026 179.2407 41 L 3.7787 8.0216 118.9358 58.3240 41.8092 178.9940 42 A 4.1104 7.6635 119.6897 54.3811 18.3263 178.2369 43 G 4.0236 7.7850 103.8061 45.5407 0.0000 173.6009 44 L 4.0973 7.3645 120.2396 53.4250 43.2730 175.7178 45 S 4.4755 7.7724 114.2027 57.2927 65.4405 175.1521 46 A 4.1619 8.4700 122.8423 54.3226 18.0887 178.0788 47 D 4.5668 7.6927 114.1256 54.6984 41.4711 176.7907 48 F 4.1332 7.9827 122.3727 58.6499 39.4225 174.4080 49 A 4.2437 8.0753 129.7699 52.1302 19.2799 176.7297 50 G 4.4209 5.4947 104.7628 43.9555 0.0000 172.3244 51 I 4.9536 8.3431 113.2793 59.1064 41.8776 174.5273 52 V 4.9716 8.7397 121.7725 61.1839 34.5073 174.2283 53 I 5.0877 9.0325 127.9507 59.7051 40.3318 174.3891 54 S 5.2214 9.0870 121.7284 56.1319 66.0058 172.8109 55 D 4.8979 8.8965 125.8250 54.4464 41.8449 176.9184 56 I 3.9720 8.9498 124.9793 62.9894 39.2551 175.7400 57 R 4.9045 8.2718 120.6575 54.5034 30.8208 175.2577 58 M 4.9184 8.1457 120.3817 52.9511 36.1364 174.3686 59 P 4.5731 0.0000 0.0000 64.9581 32.9978 177.2246 60 G 3.9646 6.8682 102.6375 45.1547 0.0000 176.5491 61 M 4.0260 8.9584 126.1724 55.0623 32.3254 175.6738 62 D 4.8418 8.5871 126.7692 52.5029 42.3444 177.2575 63 G 3.7733 8.6026 107.4950 47.3907 0.0000 175.9125 64 L 4.2817 8.1220 120.4232 57.2704 41.8974 179.1433 65 A 3.9886 8.7934 121.5279 55.0201 18.2582 179.4332 66 L 3.9078 8.0189 118.9771 58.0350 42.1275 178.8299 67 F 4.2827 8.3018 120.6354 61.6498 39.3498 177.3044 68 R 3.4204 8.0956 117.6170 59.0256 29.7628 179.2937 69 K 3.9307 7.8680 117.9940 59.4458 31.9770 179.5418 70 I 3.6837 7.9015 120.3281 64.1204 36.7807 178.0564 71 L 3.8285 7.7958 120.5214 58.2127 41.8427 178.7111 72 A 4.0782 7.4684 119.2534 54.8808 18.3389 179.4302 73 L 4.2867 7.4524 116.4043 56.5016 42.1697 177.2914 74 D 4.2689 8.1937 117.7612 52.8438 43.0792 174.2198 75 P 4.3797 0.0000 0.0000 65.1682 31.3671 176.7860 76 D 4.6606 8.4434 118.1113 53.9204 40.7151 176.0812 77 L 4.3909 7.6886 122.7079 52.7100 41.5831 174.3112 78 P 4.4276 0.0000 0.0000 63.0649 32.6160 175.0345 79 M 5.1608 8.9292 123.5757 53.8325 35.2107 173.8678 80 I 5.0160 9.0018 127.3090 59.6335 40.0388 174.4805 81 L 4.9767 8.7285 127.3916 53.5481 43.6534 175.6576 82 V 4.7778 8.8473 124.4109 61.9241 33.2524 174.5737 83 T 4.9247 9.1264 121.8565 60.2863 71.5569 173.5137 84 G 4.1505 8.5796 114.9406 44.7576 0.0000 174.1605 85 H 4.0236 9.0569 119.3908 59.1161 29.8649 177.5992 86 G 3.7338 8.2392 106.5229 48.3902 0.0000 174.0345 87 D 4.6851 7.9136 117.3210 54.0198 40.9962 178.1057 88 I 3.1865 7.4279 123.0031 64.1079 37.0753 176.2455 89 P 4.2002 0.0000 0.0000 65.9354 31.1327 178.5613 90 M 4.0270 7.8537 116.7638 58.1460 31.9438 178.5103 91 A 3.8507 7.6343 121.0836 54.9331 18.4636 179.8418 92 V 3.5176 7.8738 117.2707 66.1589 31.6003 178.1053 93 Q 3.9302 8.0720 119.1642 58.9941 28.7812 177.9489 94 A 3.9225 7.9053 121.9125 55.1321 18.3550 179.7053 95 I 3.9953 7.6554 119.6084 64.1760 36.9572 178.7110 96 Q 4.0592 7.8595 117.8141 58.7243 28.6047 177.8181 97 D 4.7340 8.0046 117.7073 54.5880 41.2817 175.8598 98 G 3.6848 7.7863 108.7578 45.2114 0.0000 174.5974 99 A 4.0181 7.9467 125.0084 52.2109 19.0257 177.8058 100 Y 3.9642 8.6279 122.9312 60.2845 39.4959 174.8474 101 D 4.5543 7.6761 116.0535 53.9028 44.8361 173.3317 102 F 5.5259 8.1895 113.3422 55.3660 41.3259 173.9501 103 I 4.5290 9.1143 120.4301 59.5224 40.4589 174.5048 104 A 5.1175 8.8949 128.7206 51.2331 19.9775 176.5657 105 K 4.5605 9.1407 122.0696 54.6633 33.3822 175.2980 106 P 4.3231 0.0000 0.0000 62.0849 32.4218 175.3943 107 F 5.0103 7.3247 114.0016 54.3744 41.2079 174.8636 108 A 4.4563 8.4868 123.0341 51.2539 20.8398 178.4384 109 A 4.0778 8.6941 124.6041 55.6053 18.5168 180.2826 110 D 4.4104 8.1420 116.7531 56.4905 39.4481 178.8342 111 R 3.9554 7.8571 119.3923 58.8395 30.2009 178.3202 112 L 3.6406 7.8365 120.2128 57.9368 41.9303 179.2605 113 V 3.5728 7.7301 118.1768 66.1994 31.6060 178.1177 114 Q 4.0096 8.1083 117.8491 58.8215 28.5912 178.7470 115 S 4.0580 8.0746 114.1133 61.3147 62.4010 176.0566 116 A 3.9514 8.0367 123.5258 55.2571 18.0715 179.8412 117 R 4.1166 8.4896 116.8995 59.4725 30.0891 179.5648 118 R 3.9982 8.0605 117.3332 59.1561 30.1069 178.9643 119 A 3.1049 7.9403 120.1961 54.8124 18.3351 179.3074 120 E 3.8740 8.5846 118.3088 59.2093 29.6768 178.6407 121 E 3.8733 8.2575 119.4495 59.0522 29.6385 178.6696 122 K 3.8701 7.8576 119.6108 59.5910 32.1852 178.6823 123 R 3.7855 7.8678 118.8909 59.3127 29.9499 178.3652 124 R 3.8076 8.3805 118.9151 59.4515 29.9892 178.5461 125 L 3.9737 8.0373 118.7966 57.6940 41.6064 179.6683 126 V 3.5640 8.0384 118.4719 66.3776 31.4412 178.0987 127 M 4.0898 8.3161 118.6790 58.2786 31.6880 178.6616 128 E 3.9340 8.3462 118.9994 59.2105 29.6320 178.8077 129 N 4.2733 8.4193 117.3835 56.8409 38.9933 177.1916 130 R 3.9336 8.1011 119.4585 59.2362 30.1176 178.9813 131 S 4.0685 8.2885 113.1099 61.3673 62.3967 176.2800 132 L 4.0024 8.1323 121.7898 57.8799 41.3870 179.7327 133 R 3.9696 8.1383 118.0527 59.1009 29.8753 179.2992 134 R 3.9029 8.2595 117.8916 59.2645 30.0521 178.9438 135 A 3.9548 8.0355 120.3019 55.0249 18.2577 179.5522 136 A 3.9224 8.1085 119.2670 55.4604 18.4015 179.8062 137 E 3.8984 8.3422 116.9074 59.3377 29.5003 179.4400 138 A 3.9594 8.3243 120.9555 55.0201 18.4295 179.6229 139 A 3.9131 8.2322 119.4642 55.2960 18.2690 179.7688 140 S 4.0462 8.1229 110.8848 61.6230 62.5162 175.9964 141 E 4.2145 8.3844 120.7504 59.2623 29.2784 179.1406 142 G 3.7776 7.8318 104.8430 47.7416 0.0000 175.5733 143 L 4.0584 7.7918 122.7991 57.8227 41.9468 177.9714 *144 K 4.1220 7.8432 122.8484 54.7778 32.4373 177.4852 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 5 P 0.00 4.51 0.00 1.78 2.13 0.00 3.41 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.30 0.00 6 S 8.50 5.33 0.00 4.14 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 7 V 9.86 5.09 2.16 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 1.08 0.00 0.00 0.86 0.00 0.00 8 F 9.66 5.46 0.00 2.94 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 9 L 9.34 5.23 0.00 1.76 1.56 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.79 5.29 1.94 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 1.09 1.78 0.97 0.00 0.00 11 D 8.53 4.90 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.89 4.36 0.00 2.68 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 13 D 8.46 4.54 0.00 2.77 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 14 R 8.58 3.88 0.00 1.88 1.93 0.00 3.39 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 15 D 8.10 4.32 0.00 2.85 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 16 L 8.47 3.95 0.00 1.72 1.82 0.80 1.13 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 17 R 8.35 3.93 0.00 2.05 2.07 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 18 K 8.15 3.97 0.00 1.95 1.84 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.82 1.59 7.81 19 A 8.09 4.01 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 20 M 8.48 4.10 0.00 2.12 2.37 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.88 0.00 21 Q 8.43 3.96 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 22 Q 8.26 4.00 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 23 T 8.04 3.90 4.43 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 1.26 0.00 0.00 24 L 8.11 4.06 0.00 1.67 1.59 0.78 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.49 4.69 0.00 2.17 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 2.52 2.45 0.00 26 L 8.21 4.23 0.00 1.79 1.76 0.95 0.85 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 27 A 7.57 4.61 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.17 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.54 4.77 0.00 3.18 3.01 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 30 T 9.12 4.79 4.34 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 1.29 0.00 0.00 31 V 8.53 4.93 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 0.83 0.00 0.00 1.00 0.00 0.00 32 S 9.13 4.61 0.00 3.47 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 33 S 8.17 5.19 0.00 3.78 3.76 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 34 F 9.58 4.96 0.00 2.89 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 35 A 8.95 4.79 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.73 4.69 0.00 4.01 3.95 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 37 A 8.65 3.98 1.37 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 0.00 0.00 38 T 7.81 3.75 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 1.19 0.00 0.00 39 E 7.69 3.90 0.00 1.98 2.20 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 2.65 2.43 0.00 40 A 7.33 2.58 0.82 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 0.00 0.00 41 L 8.02 3.78 0.00 1.75 1.78 0.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.66 4.11 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.78 4.02 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 0.00 0.00 0.00 44 L 7.36 4.10 0.00 1.57 1.32 0.72 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.77 4.48 0.00 3.95 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 46 A 8.47 4.16 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.69 4.57 0.00 2.70 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 48 F 7.98 4.13 0.00 2.81 2.96 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 49 A 8.08 4.24 1.09 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 0.00 0.00 50 G 5.49 4.42 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 0.00 51 I 8.34 4.95 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.82 0.86 0.00 0.00 52 V 8.74 4.97 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 1.01 0.00 0.00 0.92 0.00 0.00 53 I 9.03 5.09 1.89 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.65 0.89 0.00 0.00 54 S 9.09 5.22 0.00 3.89 3.69 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 55 D 8.90 4.90 0.00 3.05 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 56 I 8.95 3.97 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.40 0.91 0.00 0.00 57 R 8.27 4.90 0.00 1.84 1.82 0.00 3.20 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 58 M 8.15 4.92 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.49 0.00 59 P 0.00 4.57 0.00 2.18 2.20 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 60 G 6.87 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 61 M 8.96 4.03 0.00 1.99 2.00 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 2.58 2.54 0.00 62 D 8.59 4.84 0.00 3.13 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 63 G 8.60 3.77 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 0.00 0.00 0.00 64 L 8.12 4.28 0.00 1.90 1.84 0.94 0.80 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 65 A 8.79 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.02 3.91 0.00 1.81 1.90 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.30 4.28 0.00 3.17 3.23 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 0.00 68 R 8.10 3.42 0.00 1.93 1.83 0.00 3.14 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.92 0.00 69 K 7.87 3.93 0.00 1.93 1.80 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.59 7.81 70 I 7.90 3.68 2.02 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 0.83 0.94 0.00 0.00 71 L 7.80 3.83 0.00 1.02 1.52 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.47 4.08 1.28 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 0.00 0.00 0.00 73 L 7.45 4.29 0.00 1.74 1.70 0.85 1.25 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 74 D 8.19 4.27 0.00 2.58 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 75 P 0.00 4.38 0.00 2.25 2.18 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 76 D 8.44 4.66 0.00 2.83 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 77 L 7.69 4.39 0.00 1.70 1.72 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.43 0.00 1.89 1.41 0.00 3.55 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.88 0.00 79 M 8.93 5.16 0.00 2.30 2.05 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.70 0.00 80 I 9.00 5.02 1.88 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 1.38 0.63 0.89 0.00 0.00 81 L 8.73 4.98 0.00 1.66 1.60 0.78 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.85 4.78 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 1.27 0.00 0.00 0.97 0.00 0.00 83 T 9.13 4.92 4.22 0.00 0.00 0.00 0.00 0.00 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 84 G 8.58 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 9.06 4.02 0.00 3.20 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.24 3.73 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 0.00 0.00 0.00 87 D 7.91 4.69 0.00 2.67 2.62 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 88 I 7.43 3.19 1.73 0.00 0.00 0.80 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 0.70 0.57 0.00 0.00 89 P 0.00 4.20 0.00 2.09 2.05 0.00 3.56 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 90 M 7.85 4.03 0.00 2.01 2.17 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 2.64 2.57 0.00 91 A 7.63 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.87 3.52 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 0.98 0.00 0.00 0.84 0.00 0.00 93 Q 8.07 3.93 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 94 A 7.91 3.92 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 0.00 0.00 0.00 0.00 0.00 95 I 7.66 4.00 2.02 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 2.02 0.89 0.00 0.00 96 Q 7.86 4.06 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 97 D 8.00 4.73 0.00 3.01 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 98 G 7.79 3.68 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 0.00 0.00 0.00 99 A 7.95 4.02 0.68 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 0.00 0.00 100 Y 8.63 3.96 0.00 3.03 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 0.00 101 D 7.68 4.55 0.00 2.51 2.46 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 0.00 102 F 8.19 5.53 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 0.00 103 I 9.11 4.53 1.67 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.57 0.54 0.00 0.00 104 A 8.89 5.12 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 0.00 105 K 9.14 4.56 0.00 1.64 1.68 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.58 7.81 106 P 0.00 4.32 0.00 2.08 1.95 0.00 3.72 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 1.97 1.92 0.00 107 F 7.32 5.01 0.00 3.04 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.49 4.46 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.69 4.08 1.39 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 0.00 0.00 0.00 110 D 8.14 4.41 0.00 2.98 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 0.00 111 R 7.86 3.96 0.00 1.90 2.00 0.00 3.31 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.68 0.00 112 L 7.84 3.64 0.00 1.39 1.81 0.55 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.73 3.57 2.30 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 1.18 0.00 0.00 1.06 0.00 0.00 114 Q 8.11 4.01 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 115 S 8.07 4.06 0.00 3.80 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.04 3.95 1.02 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 0.00 0.00 117 R 8.49 4.12 0.00 2.00 2.06 0.00 3.22 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.12 0.00 118 R 8.06 4.00 0.00 2.17 2.22 0.00 3.18 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 119 A 7.94 3.10 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.58 3.87 0.00 2.30 2.20 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 2.31 2.46 0.00 121 E 8.26 3.87 0.00 2.18 2.16 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 2.31 2.31 0.00 122 K 7.86 3.87 0.00 1.86 1.62 0.00 1.91 0.00 0.00 1.46 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.46 7.81 123 R 7.87 3.79 0.00 1.87 1.94 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 124 R 8.38 3.81 0.00 1.90 2.02 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 125 L 8.04 3.97 0.00 1.89 1.69 0.93 0.68 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 0.00 126 V 8.04 3.56 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 1.02 0.00 0.00 0.95 0.00 0.00 127 M 8.32 4.09 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.83 0.00 128 E 8.35 3.93 0.00 2.21 1.98 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 2.30 2.43 0.00 129 N 8.42 4.27 0.00 2.81 2.99 0.00 0.00 7.23 8.50 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 0.00 130 R 8.10 3.93 0.00 2.03 1.95 0.00 3.17 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 131 S 8.29 4.07 0.00 3.91 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 0.00 132 L 8.13 4.00 0.00 1.89 1.69 0.91 0.78 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 0.00 133 R 8.14 3.97 0.00 2.00 1.97 0.00 3.13 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 134 R 8.26 3.90 0.00 2.15 1.97 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 135 A 8.04 3.95 1.37 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 0.00 0.00 136 A 8.11 3.92 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 0.00 137 E 8.34 3.90 0.00 2.17 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 2.33 2.50 0.00 138 A 8.32 3.96 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 0.00 139 A 8.23 3.91 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 0.00 140 S 8.12 4.05 0.00 3.96 4.04 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 0.00 141 E 8.38 4.21 0.00 1.96 1.99 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 2.34 2.51 0.00 142 G 7.83 3.78 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 0.00 0.00 0.00 143 L 7.79 4.06 0.00 1.78 1.73 0.92 0.90 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 *144 K 7.84 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.