NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3258 8.2893 120.3502 56.1278 32.1712 174.5350 2 S 4.7448 8.0687 118.3323 57.7256 64.2628 175.0490 3 N 4.9867 9.1971 122.5590 51.8754 43.3378 175.8606 4 T 4.3263 8.2117 117.0976 63.8553 69.2505 174.7552 5 L 4.8244 8.7301 119.1793 53.6537 44.5595 176.4325 6 F 4.7838 7.7470 121.0328 58.0017 42.3999 172.0536 7 D 4.9547 7.2118 124.6685 53.2785 44.1012 173.5941 8 D 4.3681 8.4981 121.9858 53.7823 45.4496 174.3206 9 I 5.0911 7.8803 124.7678 60.0423 39.8817 174.7973 10 F 5.2739 8.9814 123.8137 54.8445 43.1571 173.5416 11 Q 5.4400 8.4762 118.8638 53.5279 32.4177 173.5809 12 V 4.0432 8.8845 126.4549 63.6636 31.8781 176.2445 13 S 4.1972 9.4309 124.6244 60.2507 63.4356 174.5605 14 E 5.0704 7.4899 121.0037 55.5825 32.3825 175.3173 15 V 4.6272 8.4366 124.1521 61.2551 34.2075 174.2696 16 D 4.9237 8.8253 125.5465 51.3431 44.7922 174.2808 17 P 4.7899 0.0000 0.0000 61.6280 31.8812 173.8958 18 G 4.1561 7.4148 110.3220 47.5514 0.0000 172.9611 19 R 3.8121 8.3561 122.3946 56.9101 28.0473 176.6679 20 Y 4.9500 7.5907 117.1834 55.7295 37.7892 175.9454 21 N 4.2957 8.7209 122.8301 55.9699 38.6929 176.2646 22 K 4.7810 7.9361 113.8933 55.8050 35.3779 175.7897 23 V 4.9832 7.9340 118.7014 61.9270 34.9690 173.7452 24 C 5.1076 9.3820 123.1424 58.1417 32.7541 172.9212 25 R 4.4707 8.6904 123.8677 55.6063 31.5711 175.2607 26 I 5.1547 8.4609 125.8162 60.2900 42.3067 173.5528 27 E 5.6575 8.6378 118.7096 56.7844 34.5910 174.6816 28 A 5.2618 8.6588 122.2157 50.9449 23.5962 174.2711 29 A 5.1762 8.6819 119.8921 50.6196 22.6327 175.1048 30 S 4.1434 7.8287 113.4799 56.3885 64.2384 173.8808 31 T 4.5821 7.5930 122.5085 64.1547 69.7030 175.1652 32 T 4.4915 6.7887 124.4633 62.1878 71.2195 176.9551 33 Q 3.9983 9.1857 132.5359 58.2521 28.9019 175.9926 34 D 4.8667 8.7092 124.2066 54.9144 40.8604 176.7598 35 Q 4.4594 7.8905 117.3186 56.0015 29.6420 176.2549 36 C 5.2374 7.8021 121.2983 58.1741 30.2657 172.8582 37 K 4.8409 8.1187 122.5286 55.3204 33.8107 175.4330 38 L 4.8661 8.5526 122.2389 54.0612 46.0009 174.8461 39 T 5.0551 8.6607 121.1303 61.8512 72.8798 172.8557 40 L 4.4945 8.3791 122.8893 54.5013 46.3487 174.7780 41 D 5.0437 8.4354 127.5271 56.1377 42.4461 175.2651 42 I 4.2023 7.3452 123.2790 61.7715 41.7700 172.9830 43 N 4.9751 9.1150 124.8788 54.1166 37.3011 174.3494 44 V 4.4076 8.0020 124.7974 63.0477 31.3780 176.3312 45 E 4.5243 8.2452 118.8652 55.5103 30.7362 176.2284 46 L 4.6098 7.9418 116.3264 54.3392 42.8606 176.6058 47 F 4.6865 7.6017 114.8204 56.4822 40.5080 171.1328 48 P 4.3439 0.0000 0.0000 62.4532 32.0674 176.0762 49 V 4.1810 7.8981 117.9021 61.6620 34.3216 173.5684 50 A 4.7114 7.8505 128.9866 49.5553 21.4677 175.9505 51 A 3.8049 8.4325 122.4835 53.5433 18.6801 174.9828 52 Q 3.6284 9.0844 128.0961 56.1313 27.2888 172.8181 53 D 4.8788 8.1453 120.9938 52.8889 45.7693 174.8751 54 S 5.6477 8.6447 117.7578 57.2299 64.4055 173.4189 55 L 5.1533 8.4134 124.1017 51.7345 45.6907 175.8418 56 T 4.4426 8.8093 121.1921 63.5745 69.8703 173.5246 57 V 4.8486 9.0871 128.0335 61.9643 33.2380 174.9507 58 T 5.4553 8.6571 123.2470 62.4601 73.3697 172.8237 59 I 5.1077 8.2932 121.9145 60.6379 42.1644 173.9237 60 A 4.6808 8.2896 126.1015 51.9398 21.9687 175.7600 61 S 5.0252 8.6641 116.3918 56.1082 62.0279 172.8480 62 S 4.5368 7.4867 121.5684 58.2163 66.4073 177.7494 63 L 4.4095 8.0058 130.0688 55.0376 38.7762 180.3794 64 N 4.6188 8.3843 118.9559 52.1071 40.0940 172.8418 65 L 3.9027 8.6619 126.3935 55.8200 39.9915 176.1720 66 E 3.5053 7.5731 114.8017 60.2731 29.6256 179.7537 *76 T 4.0503 7.5624 118.4472 62.7592 68.9586 173.7362 77 R 4.0891 8.5340 117.9372 55.2721 28.2723 175.0865 78 S 4.2167 8.3068 113.1212 58.5876 62.3270 173.9426 79 W 4.7752 8.2759 130.8206 54.2088 30.4106 173.9269 80 R 3.8507 8.1100 121.5129 55.3742 31.8198 173.4877 81 P 4.0348 0.0000 0.0000 62.0477 31.3206 176.5089 82 P 3.9772 0.0000 0.0000 63.0937 30.0830 177.0332 83 Q 3.4930 9.6135 119.2255 57.2786 26.9795 175.5539 84 A 4.0223 7.7581 116.2490 53.2623 18.5230 179.1134 85 G 3.9417 8.4482 108.6843 48.8209 0.0000 175.0181 86 D 4.5144 8.1852 117.6806 55.9040 40.3685 176.4617 87 R 3.7268 6.8872 115.8757 52.5227 31.8057 176.0802 88 S 4.2902 8.3371 114.0948 59.0188 63.6232 174.7267 89 L 4.7249 8.0309 120.2937 53.0420 41.8538 178.3274 90 A 4.3929 10.6000 120.1238 52.3495 17.9248 178.1331 91 D 4.9239 9.6752 116.9954 54.9974 40.1198 177.0308 92 D 4.6955 8.0015 120.1639 54.3709 39.7861 174.1968 93 Y 4.5599 7.2883 115.0030 57.7954 41.1366 172.3551 94 D 4.8842 8.5213 116.5944 56.6244 42.9708 175.8028 95 Y 4.1432 7.3655 117.6487 57.4293 40.2930 174.4750 96 V 5.5875 8.3941 125.8062 60.9085 32.1168 174.2747 97 M 4.6983 8.0592 125.6135 54.8661 35.0581 173.6638 98 Y 5.0279 8.7354 117.1973 57.4683 41.3420 173.9491 99 G 3.2032 7.8386 114.9941 45.8598 0.0000 171.3199 100 T 5.0064 9.5601 118.9158 60.4534 73.2612 172.8611 101 A 4.1889 7.3344 126.4021 50.7401 19.9323 175.2747 102 Y 4.1747 9.9402 123.8769 57.1038 39.1054 175.3269 103 K 4.4887 7.3052 119.6659 54.4820 35.2704 175.3756 104 F 5.0894 8.7417 124.0025 55.7131 38.9714 174.6979 105 E 4.3079 9.0014 124.8959 55.6156 31.5165 174.9954 106 E 4.7682 8.2448 120.8781 53.8524 29.3975 176.8411 107 V 3.9815 7.7314 124.1369 63.8582 28.9128 175.4434 108 S 3.5263 8.5522 121.0574 57.5208 64.8539 175.7908 109 K 3.7988 8.8441 119.0928 56.8612 31.0457 175.6482 110 D 4.4870 8.4588 116.4335 53.7497 41.1258 177.7418 111 L 5.2578 7.9445 119.1978 53.8108 40.6910 176.6575 112 I 4.0573 7.1222 120.7759 61.9770 39.4555 177.0255 113 A 4.8316 8.2629 124.9097 50.8252 22.5005 175.8517 114 V 4.5755 8.1153 115.7358 59.9593 35.0064 174.3549 115 Y 5.1843 8.8844 121.0958 56.6030 40.2183 174.3268 116 Y 4.9704 9.1947 122.1409 56.4337 40.2695 174.6934 117 S 5.0367 9.2918 120.5266 56.9046 64.9882 172.9654 118 F 4.5999 10.1102 125.6180 56.5271 38.6577 175.1701 119 G 3.9105 8.3956 105.4276 45.8014 0.0000 170.4698 120 G 4.0732 8.2083 113.5085 45.4550 0.0000 174.0122 121 L 4.6259 7.3475 119.4456 53.1180 43.3896 175.6922 122 L 5.0593 9.4574 123.3548 54.1340 44.8998 174.6939 123 M 4.8608 8.6016 115.9364 55.2593 36.2602 173.2621 124 R 4.9182 8.9048 123.6422 54.8850 34.2545 173.5475 125 L 4.9407 7.6959 126.8561 53.5437 46.1162 174.0131 126 E 5.2499 6.9579 116.2570 57.0785 32.6386 175.3649 127 G 4.3673 8.6914 118.8087 45.1153 0.0000 173.7822 128 N 5.1462 8.0651 135.0000 54.7743 39.7346 173.0193 129 Y 4.8038 7.1141 115.2722 57.5392 38.5458 175.6180 130 R 4.8273 7.6839 117.6372 56.6014 32.0731 178.5047 131 N 4.4854 8.7545 114.8153 56.0359 37.4669 176.9262 132 L 4.6331 9.1103 117.7792 56.0462 42.1876 176.8136 133 N 4.7755 8.3911 115.7030 54.9628 40.4451 175.3140 134 N 4.6315 8.4556 120.8191 52.7264 37.6762 174.5584 135 L 4.4710 8.2532 124.8955 54.3226 42.5100 177.9338 136 K 3.8283 8.5696 119.2996 58.0534 32.4181 177.6027 137 Q 3.9470 7.9645 118.2032 55.4638 29.5284 177.4174 138 E 3.8477 8.6090 120.2410 58.7379 30.2762 175.9986 139 N 4.5627 7.4731 115.6256 51.9163 39.4073 174.8426 140 A 5.7507 8.3761 135.0000 52.6606 19.7858 175.1477 141 Y 4.3328 8.6026 119.4813 58.1284 39.6450 174.9305 142 L 4.9892 9.0220 124.9441 53.9354 45.2436 175.0002 143 L 5.0532 8.1516 121.3839 53.4934 46.4859 175.1656 144 I 5.5881 8.9346 122.3371 59.0779 41.5250 174.3198 145 R 4.9696 8.7017 118.8902 56.5342 32.7571 175.2527 146 R 4.3238 8.5699 118.9812 56.8041 30.4919 176.2748 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 1 M 8.29 4.33 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 2 S 8.07 4.74 0.00 4.06 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 3 N 9.20 4.99 0.00 2.71 2.73 0.00 0.00 7.21 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 4 T 8.21 4.33 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 1.34 0.00 0.00 5 L 8.73 4.82 0.00 1.78 1.89 1.02 0.84 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 6 F 7.75 4.78 0.00 3.18 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 7 D 7.21 4.95 0.00 2.62 2.34 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 8 D 8.50 4.37 0.00 2.44 2.44 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 9 I 7.88 5.09 1.89 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 1.43 0.71 1.06 0.00 0.00 10 F 8.98 5.27 0.00 2.97 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 11 Q 8.48 5.44 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 12 V 8.88 4.04 2.27 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 1.06 0.00 0.00 1.10 0.00 0.00 13 S 9.43 4.20 0.00 3.88 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 14 E 7.49 5.07 0.00 2.08 1.82 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 2.13 2.09 0.00 15 V 8.44 4.63 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 0.86 0.00 0.00 1.01 0.00 0.00 16 D 8.83 4.92 0.00 2.80 2.57 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 17 P 0.00 4.79 0.00 2.27 2.24 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 18 G 7.41 4.16 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 0.00 0.00 0.00 19 R 8.36 3.81 0.00 1.82 2.02 0.00 3.33 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 1.50 1.53 0.00 20 Y 7.59 4.95 0.00 3.03 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 21 N 8.72 4.30 0.00 2.72 2.95 0.00 0.00 6.94 7.61 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 22 K 7.94 4.78 0.00 1.62 1.71 0.00 1.63 0.00 0.00 2.15 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.42 7.81 23 V 7.93 4.98 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 0.79 0.00 0.00 0.92 0.00 0.00 24 C 9.38 5.11 0.00 2.86 2.80 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 0.00 0.00 0.00 25 R 8.69 4.47 0.00 2.09 1.80 0.00 3.04 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 26 I 8.46 5.15 1.87 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 1.25 1.06 0.97 0.00 0.00 27 E 8.64 5.66 0.00 2.02 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 2.39 2.08 0.00 28 A 8.66 5.26 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 29 A 8.68 5.18 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 30 S 7.83 4.14 0.00 3.79 3.84 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 31 T 7.59 4.58 4.16 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 1.18 0.00 0.00 32 T 6.79 4.49 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 1.22 0.00 0.00 33 Q 9.19 4.00 0.00 2.39 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.12 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 34 D 8.71 4.87 0.00 2.71 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 35 Q 7.89 4.46 0.00 1.89 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.42 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 36 C 7.80 5.24 0.00 2.91 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 37 K 8.12 4.84 0.00 1.67 1.74 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.66 7.81 38 L 8.55 4.87 0.00 1.44 1.12 0.74 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.66 5.06 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 1.27 0.00 0.00 40 L 8.38 4.49 0.00 1.57 1.30 0.66 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.44 5.04 0.00 2.56 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 42 I 7.35 4.20 1.99 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 0.84 -0.06 1.22 0.00 0.00 43 N 9.11 4.98 0.00 2.77 2.92 0.00 0.00 6.45 7.80 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 44 V 8.00 4.41 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 0.80 0.00 0.00 1.14 0.00 0.00 45 E 8.25 4.52 0.00 1.99 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 0.00 2.22 2.24 0.00 46 L 7.94 4.61 0.00 1.37 1.46 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.60 4.69 0.00 2.61 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 48 P 0.00 4.34 0.00 1.91 1.92 0.00 3.53 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 49 V 7.90 4.18 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 0.78 0.00 0.00 1.08 0.00 0.00 50 A 7.85 4.71 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 51 A 8.43 3.80 1.26 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 0.00 0.00 0.00 52 Q 9.08 3.63 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 53 D 8.15 4.88 0.00 2.61 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 54 S 8.64 5.65 0.00 3.93 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 5.15 0.00 1.70 1.71 1.13 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.81 4.44 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 1.33 0.00 0.00 57 V 9.09 4.85 2.52 0.00 0.00 0.00 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 0.83 0.00 0.00 58 T 8.66 5.46 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 1.32 0.00 0.00 59 I 8.29 5.11 1.91 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.56 0.86 0.00 0.00 60 A 8.29 4.68 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 61 S 8.66 5.03 0.00 4.04 4.07 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 62 S 7.49 4.54 0.00 3.77 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 63 L 8.01 4.41 0.00 1.69 0.69 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.38 4.62 0.00 2.64 2.78 0.00 0.00 6.81 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 65 L 8.66 3.90 0.00 1.79 1.80 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.57 3.51 0.00 1.93 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 2.31 2.25 0.00 *76 T 7.56 4.05 4.29 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 1.25 0.00 0.00 77 R 8.53 4.09 0.00 2.06 2.15 0.00 3.33 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 78 S 8.31 4.22 0.00 3.88 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 79 W 8.28 4.78 0.00 3.27 3.18 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 80 R 8.11 3.85 0.00 1.55 1.84 0.00 3.56 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 81 P 0.00 4.03 0.00 2.06 1.27 0.00 3.78 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 82 P 0.00 3.98 0.00 2.16 1.87 0.00 3.82 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 1.92 1.94 0.00 83 Q 9.61 3.49 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.04 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 84 A 7.76 4.02 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 85 G 8.45 3.94 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 86 D 8.19 4.51 0.00 2.76 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 87 R 6.89 3.73 0.00 1.92 1.88 0.00 3.11 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 88 S 8.34 4.29 0.00 3.95 3.86 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 89 L 8.03 4.72 0.00 1.78 1.73 0.93 0.90 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 90 A 10.60 4.39 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 91 D 9.68 4.92 0.00 2.90 2.83 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 92 D 8.00 4.70 0.00 2.61 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 93 Y 7.29 4.56 0.00 2.88 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 94 D 8.52 4.88 0.00 2.42 2.61 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 0.00 0.00 0.00 0.00 95 Y 7.37 4.14 0.00 2.36 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 0.00 0.00 0.00 0.00 96 V 8.39 5.59 2.21 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 1.39 0.00 0.00 1.00 0.00 0.00 97 M 8.06 4.70 0.00 2.03 1.68 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 98 Y 8.74 5.03 0.00 2.56 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 99 G 7.84 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 0.00 0.00 0.00 100 T 9.56 5.01 3.93 0.00 0.00 0.00 0.00 0.00 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 0.00 101 A 7.33 4.19 0.09 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 0.00 102 Y 9.94 4.17 0.00 2.98 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 0.00 103 K 7.31 4.49 0.00 1.61 1.54 0.00 1.54 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.44 7.81 104 F 8.74 5.09 0.00 2.81 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 0.00 105 E 9.00 4.31 0.00 2.34 1.92 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 2.35 2.36 0.00 106 E 8.24 4.77 0.00 1.84 1.82 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 2.21 2.30 0.00 107 V 7.73 3.98 2.21 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 0.77 0.00 0.00 0.92 0.00 0.00 108 S 8.55 3.53 0.00 4.17 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 0.00 109 K 8.84 3.80 0.00 1.87 1.67 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.40 7.81 110 D 8.46 4.49 0.00 2.72 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 0.00 111 L 7.94 5.26 0.00 1.82 1.63 0.91 1.12 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 0.00 112 I 7.12 4.06 1.77 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.69 0.74 0.00 0.00 113 A 8.26 4.83 0.97 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 0.00 114 V 8.12 4.58 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 -0.42 0.00 0.00 0.86 0.00 0.00 115 Y 8.88 5.18 0.00 2.15 2.35 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 0.00 116 Y 9.19 4.97 0.00 3.04 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 0.00 117 S 9.29 5.04 0.00 3.11 3.13 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 0.00 0.00 0.00 118 F 10.11 4.60 0.00 2.75 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 0.00 119 G 8.40 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 0.00 0.00 0.00 120 G 8.21 4.07 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 0.00 121 L 7.35 4.63 0.00 1.68 1.66 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.46 5.06 0.00 1.68 1.90 1.10 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.60 4.86 0.00 2.69 2.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.48 0.00 124 R 8.90 4.92 0.00 1.73 1.54 0.00 2.90 0.00 0.00 2.91 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 125 L 7.70 4.94 0.00 1.51 1.20 0.81 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 126 E 6.96 5.25 0.00 1.90 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 0.00 2.10 2.19 0.00 127 G 8.69 4.37 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 0.00 128 N 8.07 5.15 0.00 2.98 2.89 0.00 0.00 6.84 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 0.00 129 Y 7.11 4.80 0.00 3.07 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 0.00 130 R 7.68 4.83 0.00 1.83 1.92 0.00 3.01 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.74 0.00 131 N 8.75 4.49 0.00 2.82 2.67 0.00 0.00 7.03 6.74 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 0.00 132 L 9.11 4.63 0.00 1.69 1.74 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.39 4.78 0.00 2.80 3.23 0.00 0.00 6.82 7.80 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 0.00 134 N 8.46 4.63 0.00 2.59 2.88 0.00 0.00 7.37 7.74 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 0.00 135 L 8.25 4.47 0.00 1.83 1.69 1.01 1.04 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 0.00 136 K 8.57 3.83 0.00 1.50 1.23 0.00 1.60 0.00 0.00 1.28 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.47 1.32 7.81 137 Q 7.96 3.95 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.93 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 138 E 8.61 3.85 0.00 1.90 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 2.23 2.11 0.00 139 N 7.47 4.56 0.00 2.89 2.97 0.00 0.00 6.74 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 0.00 140 A 8.38 5.75 1.66 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 0.00 0.00 141 Y 8.60 4.33 0.00 2.89 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 0.00 142 L 9.02 4.99 0.00 2.20 1.59 0.99 -0.04 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 0.00 143 L 8.15 5.05 0.00 0.91 0.22 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.93 5.59 1.64 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.64 0.83 0.00 0.00 145 R 8.70 4.97 0.00 1.89 2.16 0.00 2.82 0.00 0.00 2.76 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 146 R 8.57 4.32 0.00 2.05 2.17 0.00 3.25 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.