NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4969 8.3193 115.4122 58.5016 63.6793 173.4098 10 D 4.6782 8.5269 115.3454 52.7776 41.0475 174.9738 11 M 4.2008 8.6716 120.9152 54.3023 33.6632 175.3073 12 P 4.8022 0.0000 0.0000 63.1013 32.6677 175.7666 13 V 5.0629 8.5402 122.5395 60.6982 35.5463 173.6591 14 A 4.6887 8.8785 121.9421 51.5522 23.1922 175.3280 15 H 4.7212 9.0339 121.6144 54.7220 31.0354 172.6074 16 V 4.5204 8.6484 116.7231 60.5789 33.4689 175.2527 17 V 5.3842 8.8991 115.7188 59.3355 35.6520 174.8533 18 A 4.1201 8.7125 124.9626 51.5700 19.1944 177.0762 19 N 4.1340 8.6373 121.5530 53.1113 38.9792 173.8433 20 P 3.8039 0.0000 0.0000 65.3226 31.5934 177.7981 21 Q 4.1783 7.8476 113.8082 56.3914 29.0688 176.6200 22 A 4.3877 7.2097 123.1126 50.4852 17.2412 176.5582 23 E 4.4622 7.9552 120.5889 56.2471 31.2931 179.1841 24 G 4.0343 9.6750 107.3722 45.8179 0.0000 173.0318 25 Q 4.4375 7.5656 114.9490 54.7486 31.7432 173.8816 26 L 4.1578 8.2187 119.9247 53.2474 42.7660 175.1651 27 Q 4.4767 7.7830 128.0741 53.7023 31.4154 174.3734 28 W 5.0983 9.2077 128.0551 56.8204 29.8237 176.0611 29 L 5.1188 9.5314 123.9564 53.0866 44.8226 176.8925 30 N 4.8092 8.9171 116.6856 53.3028 39.6639 175.6983 31 R 4.3773 7.7786 119.2847 54.2164 28.8697 175.3249 32 R 4.6434 7.4071 117.9307 54.1236 34.7596 174.8746 33 A 4.1888 8.4059 123.2054 53.9666 18.7406 177.9719 34 N 4.2480 8.8429 116.5046 53.5375 36.5318 174.0858 35 A 5.0186 7.6703 119.8525 50.7529 21.2927 176.6861 36 L 4.7340 8.2070 117.7599 53.3896 46.7612 175.9857 37 L 4.7433 8.3970 117.6197 55.2476 43.9900 172.6409 38 A 4.3776 8.6996 126.9353 51.1629 23.6387 175.0159 39 N 4.4080 9.6501 113.1221 55.3512 35.8530 175.2059 40 G 4.1703 8.6791 108.7922 46.0027 0.0000 175.7728 41 V 3.8669 7.6721 119.4813 63.0555 32.0695 175.4667 42 E 4.7191 8.5810 125.6250 54.5521 33.2228 174.9348 43 L 4.8352 8.4636 122.9551 53.4083 43.5275 175.2972 44 R 4.6192 8.6221 124.3326 55.3556 33.6817 175.7534 45 D 4.4503 9.3917 120.3857 56.2683 38.3508 173.0805 46 N 4.4305 8.4722 110.2364 54.5080 38.1440 172.7610 47 Q 5.0048 8.0501 113.2780 53.5267 33.2057 174.3573 48 L 4.8837 8.4916 121.7201 53.7694 43.3019 175.9106 49 V 4.6767 8.1456 123.5599 60.6776 33.7303 174.9355 50 V 3.6815 8.1643 129.2380 63.0275 31.6449 175.2892 51 P 4.4221 0.0000 0.0000 64.7069 31.9030 176.2513 52 S 4.6114 7.4494 110.4722 56.5838 65.7129 173.6760 53 E 5.0123 8.1134 122.4323 56.0748 30.1483 175.0745 54 G 4.1458 8.6642 106.5833 43.0820 0.0000 173.1615 55 L 4.7987 8.2584 119.4976 54.8485 43.3735 176.0602 56 Y 5.0668 9.4042 119.5221 56.0264 42.2495 174.4300 57 L 4.5582 8.8424 127.4960 55.2509 43.5390 175.5410 58 I 5.0335 9.1827 127.3938 59.7093 40.2469 174.2587 59 Y 5.4551 8.2792 124.5020 55.7132 42.2318 173.9206 60 S 5.0502 8.1321 110.9071 57.8304 66.7072 174.4248 61 Q 5.2739 7.7238 125.9564 53.3026 32.7557 174.1199 62 V 4.7408 8.0198 116.0092 59.4186 36.9130 173.8767 63 L 5.0558 7.8484 122.2669 53.5148 45.2975 174.9059 64 F 5.5594 9.1712 124.8762 56.1096 41.9096 174.8634 65 S 4.7746 8.4705 115.9997 56.6209 65.8941 173.5412 66 G 3.4401 5.3917 107.8233 44.3057 0.0000 172.8747 67 Q 3.9913 8.5725 121.2855 57.1777 29.6110 175.2846 68 G 4.1544 7.6147 104.1158 45.3352 0.0000 172.7368 69 C 4.9132 8.5786 116.8273 54.2604 35.8761 172.7646 70 P 4.5602 0.0000 0.0000 62.4704 31.4851 177.6747 71 S 4.3713 8.6109 115.0153 60.1962 62.7415 174.6085 72 T 4.3892 7.2956 111.1238 60.0992 70.3216 174.8891 73 H 4.4774 7.9305 118.9000 54.2806 27.6379 174.2048 74 V 3.7074 7.8292 126.2794 62.9180 32.0062 174.8081 75 L 4.8223 8.2880 126.8322 52.7978 44.8761 175.6934 76 L 4.6626 8.5679 121.9359 53.0197 44.8095 175.4882 77 T 5.0923 9.1042 114.6791 60.0675 71.7027 172.7267 78 H 5.5436 9.3828 124.5080 54.8276 33.2310 172.4285 79 T 4.9121 8.7973 121.6884 62.4401 73.3171 172.8034 80 I 4.6277 8.8204 128.9724 60.0428 38.4198 175.1217 81 S 5.0590 8.7187 122.6242 56.5800 66.2054 173.0358 82 R 4.7568 8.7826 121.8090 54.7699 32.5853 174.6133 83 I 4.2624 8.7537 128.2742 60.0919 37.8872 174.7995 84 A 4.9010 8.3343 129.1115 50.5951 20.4794 178.2695 85 V 3.5494 8.5230 120.4903 65.9471 31.7039 177.8211 86 S 4.3067 8.0443 111.4249 59.6323 63.0712 173.7198 87 Y 4.3777 7.2698 118.9570 57.8122 40.0115 173.3521 88 Q 4.5047 8.0287 127.9756 53.5570 27.5778 174.9295 89 T 4.6251 7.4455 108.0185 59.4147 71.9018 172.5169 90 P 4.4627 0.0000 0.0000 63.3789 32.2692 175.8440 91 V 4.3822 8.5391 123.5754 60.7763 34.6130 174.3321 92 N 4.5503 8.9881 125.8832 54.1433 38.3522 174.5944 93 L 4.4336 8.8690 124.1650 56.0295 43.2555 177.3357 94 L 4.9283 7.4902 117.3092 53.1059 45.8075 175.6220 95 S 5.1760 8.6496 116.0142 57.4471 65.6247 172.7805 96 A 4.7794 8.9721 125.4310 50.9970 22.7686 175.2757 97 I 5.0850 8.3110 119.9864 59.6448 40.9662 175.0784 98 R 4.6927 8.9117 124.2268 54.7426 33.9944 174.0300 99 S 4.5929 8.4770 119.6341 56.2491 64.1869 171.9170 100 P 4.0518 0.0000 0.0000 63.3043 31.5686 177.0460 101 C 4.7482 7.6030 115.1290 55.2242 41.8513 173.2741 102 Q 3.8895 8.5167 122.8422 56.1367 30.4477 175.4292 *111 A 4.1638 7.7313 117.5496 51.8414 19.0532 175.7530 112 N 4.7988 8.5907 117.7479 52.8542 40.0103 173.7967 113 P 4.8042 0.0000 0.0000 62.2055 32.6667 175.6553 114 W 5.5071 8.2940 118.8171 55.1813 32.0319 173.4880 115 Y 5.2806 9.0704 118.1576 56.5354 41.1825 174.7962 116 E 4.7748 9.9318 123.1816 54.1857 32.7626 173.2693 117 P 5.1354 0.0000 0.0000 62.1358 33.1627 176.2182 118 I 4.7376 8.4941 122.6364 59.9382 41.0151 173.5203 119 Y 5.1415 8.9413 127.9968 55.7863 41.2487 174.6337 120 L 4.9151 7.8121 125.0121 53.0026 46.1596 175.8057 121 G 4.9421 8.5023 105.2053 45.8602 0.0000 172.6342 122 G 4.2242 8.2990 109.8596 45.7037 0.0000 171.9437 123 V 4.7629 8.1813 120.2878 61.9014 32.7688 175.1710 124 F 4.9462 9.1178 125.0278 55.7797 43.6831 173.4828 125 Q 4.8141 8.8968 123.6028 55.9868 29.9254 174.7006 126 L 5.1614 8.9079 124.4588 53.1931 46.7444 174.9922 127 E 5.0516 9.5904 118.5646 53.7567 34.1431 173.9376 128 P 4.4823 0.0000 0.0000 64.6772 31.8202 176.1585 129 G 4.0311 8.5308 111.2367 45.3082 0.0000 173.7314 130 D 4.5647 8.1332 120.2084 55.1977 41.8429 175.9706 131 R 4.9829 8.8650 122.7389 54.5844 32.6377 175.2857 132 L 5.2781 9.0399 123.6151 52.9269 44.9497 175.6655 133 S 4.9710 8.8644 116.5813 56.4272 66.6820 172.7269 134 A 4.8028 8.4303 123.9581 50.3410 20.5558 175.0440 135 E 5.0091 9.2670 121.5371 55.0754 33.8689 175.2751 136 I 5.8883 8.4074 113.5139 58.3645 40.5892 174.7742 137 N 4.5464 8.3900 117.5315 54.2572 38.3045 175.8275 138 R 4.9304 7.6236 117.1829 52.2903 30.3156 174.0519 139 P 4.3812 0.0000 0.0000 64.7667 31.9324 177.9555 140 D 4.6080 8.2100 116.6803 54.6672 40.0438 176.5330 141 Y 4.6478 8.3208 117.6578 57.7429 39.3342 175.6215 142 L 4.4718 7.3761 118.4937 54.4762 42.8325 176.4938 143 D 4.0336 7.5843 119.1938 52.8522 43.4042 174.5328 144 F 4.9790 8.0546 124.5998 57.1397 39.8205 176.6969 145 A 4.1719 8.6501 126.6965 54.8799 18.0788 178.4057 146 E 4.7897 7.8152 111.6589 53.9924 33.1783 175.4583 147 S 4.4308 8.4136 115.0924 58.5158 64.0611 174.5977 148 G 4.0317 8.7713 105.3716 46.6147 0.0000 174.2490 149 Q 4.4883 7.9253 118.8598 56.1384 30.3047 175.7688 150 V 4.7016 7.9063 116.9606 61.2978 34.3659 173.8146 151 Y 5.7857 8.4253 125.5049 55.7074 42.4841 174.2355 152 F 5.1195 8.9357 121.6696 57.1590 42.7350 173.1693 153 G 3.8941 8.6183 112.9305 44.6467 0.0000 171.1275 154 I 5.5346 8.2421 113.8934 58.7063 41.9700 173.8011 155 I 4.8704 8.0336 120.3143 59.8572 41.4122 173.0948 156 A 3.6930 8.7433 132.6809 51.6643 18.7050 177.5034 157 L 4.1147 8.0039 122.2098 54.9533 41.8219 176.6952 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 9 S 8.32 4.50 0.00 3.98 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 10 D 8.53 4.68 0.00 2.83 2.76 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 11 M 8.67 4.20 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 12 P 0.00 4.80 0.00 2.29 2.10 0.00 3.49 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 2.19 2.24 0.00 13 V 8.54 5.06 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 0.71 0.00 0.00 1.05 0.00 0.00 14 A 8.88 4.69 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 15 H 9.03 4.72 0.00 3.31 3.17 0.00 5.78 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.65 4.52 2.40 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 0.65 0.00 0.00 0.65 0.00 0.00 17 V 8.90 5.38 2.28 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 0.94 0.00 0.00 1.04 0.00 0.00 18 A 8.71 4.12 1.18 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 0.00 0.00 0.00 19 N 8.64 4.13 0.00 2.82 2.50 0.00 0.00 6.88 7.32 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 20 P 0.00 3.80 0.00 2.04 2.13 0.00 3.62 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 2.01 2.09 0.00 21 Q 7.85 4.18 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.16 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 22 A 7.21 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.96 4.46 0.00 2.24 2.22 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 2.36 2.31 0.00 24 G 9.68 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.57 4.44 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.46 2.22 0.00 26 L 8.22 4.16 0.00 1.42 1.39 0.24 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.78 4.48 0.00 2.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 28 W 9.21 5.10 0.00 3.33 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 29 L 9.53 5.12 0.00 1.58 1.55 0.90 0.30 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 30 N 8.92 4.81 0.00 2.81 2.92 0.00 0.00 6.09 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 31 R 7.78 4.38 0.00 1.84 1.95 0.00 3.23 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 32 R 7.41 4.64 0.00 1.83 1.79 0.00 3.32 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 33 A 8.41 4.19 1.25 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 0.00 0.00 34 N 8.84 4.25 0.00 2.91 2.96 0.00 0.00 6.86 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 35 A 7.67 5.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 4.73 0.00 1.69 1.51 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.40 4.74 0.00 1.56 1.54 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.70 4.38 1.23 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 0.00 0.00 39 N 9.65 4.41 0.00 2.99 3.08 0.00 0.00 7.09 7.65 0.00 0.00 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 G 8.68 4.17 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 0.00 0.00 0.00 41 V 7.67 3.87 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 0.70 0.00 0.00 0.99 0.00 0.00 42 E 8.58 4.72 0.00 1.92 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 43 L 8.46 4.84 0.00 1.59 1.57 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.62 4.62 0.00 1.88 1.76 0.00 3.33 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 45 D 9.39 4.45 0.00 2.82 2.74 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 46 N 8.47 4.43 0.00 2.86 2.95 0.00 0.00 7.04 7.08 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 47 Q 8.05 5.00 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.99 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 48 L 8.49 4.88 0.00 1.43 1.35 -0.10 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.15 4.68 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 0.96 0.00 0.00 0.91 0.00 0.00 50 V 8.16 3.68 2.07 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 0.52 0.00 0.00 0.65 0.00 0.00 51 P 0.00 4.42 0.00 2.12 2.16 0.00 3.87 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 2.08 2.20 0.00 52 S 7.45 4.61 0.00 4.10 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.11 5.01 0.00 2.10 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 0.00 2.35 2.62 0.00 54 G 8.66 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 55 L 8.26 4.80 0.00 1.59 1.61 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.40 5.07 0.00 2.87 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 57 L 8.84 4.56 0.00 1.91 1.68 1.11 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 58 I 9.18 5.03 2.03 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.04 0.89 0.00 0.00 59 Y 8.28 5.46 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 60 S 8.13 5.05 0.00 3.96 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 7.72 5.27 0.00 2.19 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.39 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 62 V 8.02 4.74 1.61 0.00 0.00 0.00 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 0.52 0.00 0.00 63 L 7.85 5.06 0.00 1.70 1.38 1.10 0.97 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 64 F 9.17 5.56 0.00 3.28 3.22 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 0.00 65 S 8.47 4.77 0.00 2.72 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 66 G 5.39 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.57 3.99 0.00 1.86 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 68 G 7.61 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 69 C 8.58 4.91 0.00 3.00 3.03 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 0.00 0.00 0.00 0.00 70 P 0.00 4.56 0.00 2.20 2.03 0.00 3.66 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 71 S 8.61 4.37 0.00 3.86 3.91 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 72 T 7.30 4.39 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 1.18 0.00 0.00 73 H 7.93 4.48 0.00 3.19 3.32 0.00 5.52 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.83 3.71 1.77 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 0.29 0.00 0.00 0.85 0.00 0.00 75 L 8.29 4.82 0.00 1.42 1.40 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.57 4.66 0.00 0.95 0.13 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.10 5.09 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 1.18 0.00 0.00 78 H 9.38 5.54 0.00 3.35 3.24 0.00 5.76 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.80 4.91 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 80 I 8.82 4.63 1.72 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.41 0.80 0.00 0.00 81 S 8.72 5.06 0.00 3.85 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 82 R 8.78 4.76 0.00 1.65 1.70 0.00 2.99 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 83 I 8.75 4.26 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 1.17 0.53 0.92 0.00 0.00 84 A 8.33 4.90 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.52 3.55 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 0.82 0.00 0.00 1.04 0.00 0.00 86 S 8.04 4.31 0.00 4.08 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 87 Y 7.27 4.38 0.00 2.84 2.84 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 0.00 0.00 0.00 0.00 88 Q 8.03 4.50 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.43 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 89 T 7.45 4.63 4.30 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 1.15 0.00 0.00 90 P 0.00 4.46 0.00 1.97 2.05 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 91 V 8.54 4.38 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 0.84 0.00 0.00 1.04 0.00 0.00 92 N 8.99 4.55 0.00 2.63 2.73 0.00 0.00 7.11 7.85 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 93 L 8.87 4.43 0.00 1.15 0.61 0.20 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.49 4.93 0.00 1.48 1.51 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.65 5.18 0.00 3.81 3.67 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 96 A 8.97 4.78 1.27 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 0.00 0.00 0.00 97 I 8.31 5.09 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.72 0.87 0.00 0.00 98 R 8.91 4.69 0.00 1.87 1.59 0.00 3.06 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 99 S 8.48 4.59 0.00 3.71 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.05 0.00 0.49 0.97 0.00 3.23 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.38 0.00 101 C 7.60 4.75 0.00 2.70 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.52 3.89 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 *111 A 7.73 4.16 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 0.00 112 N 8.59 4.80 0.00 2.71 2.84 0.00 0.00 7.21 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 0.00 113 P 0.00 4.80 0.00 2.12 1.95 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 114 W 8.29 5.51 0.00 3.39 3.15 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 0.00 115 Y 9.07 5.28 0.00 2.87 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 0.00 116 E 9.93 4.77 0.00 2.18 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 2.50 2.32 0.00 117 P 0.00 5.14 0.00 2.05 2.08 0.00 3.75 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 118 I 8.49 4.74 2.01 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 1.25 1.37 1.06 0.00 0.00 119 Y 8.94 5.14 0.00 3.03 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 0.00 120 L 7.81 4.92 0.00 1.46 1.46 0.71 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.50 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.30 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 0.00 0.00 0.00 0.00 123 V 8.18 4.76 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 0.82 0.00 0.00 0.94 0.00 0.00 124 F 9.12 4.95 0.00 3.08 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 0.00 125 Q 8.90 4.81 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 126 L 8.91 5.16 0.00 1.45 1.31 0.47 0.54 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 0.00 127 E 9.59 5.05 0.00 1.94 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 128 P 0.00 4.48 0.00 2.04 2.02 0.00 3.66 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 2.05 2.13 0.00 129 G 8.53 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.13 4.56 0.00 2.67 2.56 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 0.00 0.00 0.00 0.00 131 R 8.87 4.98 0.00 1.75 1.82 0.00 3.26 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 132 L 9.04 5.28 0.00 1.52 1.64 0.73 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.86 4.97 0.00 3.87 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 0.00 134 A 8.43 4.80 0.22 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 0.00 0.00 0.00 135 E 9.27 5.01 0.00 1.88 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 136 I 8.41 5.89 2.17 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 1.07 0.56 1.08 0.00 0.00 137 N 8.39 4.55 0.00 2.83 2.99 0.00 0.00 6.72 7.54 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 0.00 138 R 7.62 4.93 0.00 1.91 2.30 0.00 3.65 0.00 0.00 3.32 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.41 0.00 139 P 0.00 4.38 0.00 2.42 2.14 0.00 3.66 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 140 D 8.21 4.61 0.00 2.66 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 0.00 141 Y 8.32 4.65 0.00 3.38 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 0.00 142 L 7.38 4.47 0.00 1.34 0.71 1.02 0.54 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 0.00 143 D 7.58 4.03 0.00 2.43 2.38 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 0.00 144 F 8.05 4.98 0.00 3.04 2.94 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 0.00 0.00 0.00 145 A 8.65 4.17 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 0.00 146 E 7.82 4.79 0.00 1.98 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 2.22 2.28 0.00 147 S 8.41 4.43 0.00 4.08 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 0.00 148 G 8.77 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 7.93 4.49 0.00 2.44 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 150 V 7.91 4.70 2.29 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 1.07 0.00 0.00 0.94 0.00 0.00 151 Y 8.43 5.79 0.00 3.14 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 0.00 152 F 8.94 5.12 0.00 1.51 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 8.62 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 0.00 154 I 8.24 5.53 1.85 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 0.78 0.74 0.51 0.00 0.00 155 I 8.03 4.87 1.93 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 1.25 1.19 1.00 0.00 0.00 156 A 8.74 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.00 4.11 0.00 1.63 1.55 0.94 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 * Residues marked with a * may have inaccurate shift predictions.