NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3853 8.3049 120.3484 55.7154 32.9683 175.0904 2 Q 4.2574 7.5307 121.2598 54.4020 32.9722 174.2202 3 K 4.3560 8.6647 120.2763 59.4564 32.2735 178.8492 4 I 3.7281 7.8064 112.4405 63.8243 37.5311 177.0641 5 D 4.6275 7.8922 119.4634 55.5622 40.9565 178.4635 6 E 3.9764 7.8711 119.3032 59.3854 29.5592 179.4272 7 K 3.9908 7.9649 118.0012 59.3231 32.1078 179.0371 8 L 3.9751 7.8376 120.2378 58.1354 42.0543 178.6434 9 Q 3.9237 8.1336 119.6500 58.7706 28.9393 177.8609 10 L 3.9305 7.9049 121.6124 58.5424 42.1274 179.0069 11 M 4.1063 7.8767 118.1297 58.3216 31.7234 178.4848 12 N 4.3447 8.3685 117.0212 56.6276 38.6493 177.6399 13 T 3.9154 8.1313 117.2121 66.6414 68.5848 176.9259 14 I 3.6910 7.8888 121.5624 64.2154 37.0603 178.2701 15 A 4.0419 8.1629 121.6440 55.1741 18.1449 179.8951 16 K 3.9217 7.8308 117.0478 59.6117 32.1545 179.6011 17 I 3.6195 7.9061 120.1681 64.4602 37.0424 177.8184 18 Y 3.8726 8.0761 120.0898 60.8068 38.4522 178.1307 19 R 3.8286 8.0628 119.0707 59.2011 29.9693 179.4267 20 G 3.4915 8.2363 105.8192 47.7703 0.0000 176.0501 21 S 3.5715 8.1131 117.6955 60.7435 62.9131 176.3214 22 I 3.1866 7.4245 122.5296 63.2509 37.5585 177.8145 23 K 3.8523 7.3043 119.2563 59.4520 31.9431 178.7498 24 E 3.9513 7.6406 118.7501 59.2429 29.2836 179.2703 25 F 4.3164 8.4738 118.0963 60.9288 38.9355 177.5758 26 N 4.3986 8.6641 116.4136 56.1010 38.1758 177.1504 27 N 4.2589 8.2483 118.5567 56.6537 39.1394 176.8057 28 R 3.8573 8.1698 120.1650 59.6561 30.1783 178.4979 29 L 4.1125 8.2937 119.0269 57.5089 41.5865 179.9387 30 G 3.5968 8.3587 105.9587 47.8450 0.0000 176.0797 31 K 4.0772 8.1671 120.5101 58.6423 32.1372 179.0220 32 L 4.3458 7.9298 118.2444 56.4598 41.9996 177.3687 33 M 4.6615 7.7799 114.2517 53.6335 34.0038 174.4481 34 N 4.3289 8.2036 116.1767 54.8509 38.1158 173.3277 35 L 5.0187 7.6068 114.0480 52.2981 45.8737 175.7961 36 S 4.8662 8.7902 115.4726 56.6328 66.8562 174.6477 37 Y 4.4056 9.2158 122.3760 60.8168 38.3819 177.5018 38 L 3.7701 8.0267 120.9492 57.9258 42.2410 178.4564 39 D 4.2979 8.0378 119.0587 57.2717 40.7046 178.4473 40 F 4.1397 8.0992 120.7990 61.4601 39.3484 177.2666 41 S 3.3067 7.6367 114.5437 61.3300 62.4140 176.8287 42 I 3.6186 7.4476 122.3729 64.2807 36.8510 178.4957 43 L 3.9158 7.7833 119.7973 57.4850 41.1956 179.4749 44 K 3.7291 7.5673 118.3997 59.4249 32.2925 178.3513 45 A 4.3855 8.0889 121.3181 55.5070 18.5444 179.6621 46 T 4.4383 8.4016 109.5008 63.8794 68.7506 177.0471 47 S 4.2533 7.8377 116.5845 61.0402 62.9995 176.0997 48 E 4.1077 7.8055 122.3589 57.5439 29.8361 176.6311 49 E 4.7928 6.8932 113.0587 54.6443 32.5577 173.6334 50 P 4.6720 0.0000 0.0000 63.3367 32.1175 176.0159 51 R 4.6029 8.6524 122.0312 54.0708 34.0307 175.5463 52 S 5.0987 8.4004 116.7688 57.7130 64.5521 175.0871 53 M 4.1197 8.7345 120.3675 58.5309 31.6557 179.2537 54 V 3.5770 7.7420 118.0346 66.0144 31.7528 177.1810 55 Y 3.9309 8.1301 119.2941 60.6729 38.6252 178.2392 56 L 4.0664 8.1752 119.5701 57.8681 41.9058 179.3208 57 A 4.0271 7.9971 120.7167 55.1014 18.0494 179.2127 58 N 3.8413 7.8145 114.5672 56.7510 39.1036 176.8730 59 R 3.5741 7.3897 118.8648 58.5439 30.0922 177.0413 60 Y 4.6731 7.4142 113.2858 56.3840 38.9443 175.3904 61 F 3.6549 7.9261 117.2071 59.0145 36.6087 174.9347 62 V 4.6409 7.5385 110.8090 58.8602 35.6548 176.9684 63 T 4.1709 8.1284 111.7460 61.7672 70.7779 175.6089 64 Q 4.0868 8.5887 121.1428 58.8914 28.7060 179.2018 65 S 4.1641 8.0651 115.0782 61.3099 63.1451 176.2851 66 A 3.9996 8.0706 124.4356 54.8493 18.1416 179.6835 67 I 3.6713 7.8429 118.2903 64.8799 37.1567 178.7365 68 T 3.8751 8.3882 116.7269 66.5948 67.7517 176.4917 69 A 4.0981 8.2294 122.4002 55.0779 18.4157 179.5687 70 A 3.9442 8.0396 119.2508 55.4353 18.5354 180.0716 71 V 3.5536 8.2777 117.1705 66.0563 31.5536 177.7914 72 D 4.3743 8.3096 118.9102 57.4498 40.7154 179.1370 73 K 3.9953 7.7577 117.8933 59.3941 32.0531 179.4174 74 L 3.9959 8.0292 119.3228 57.9035 41.5295 179.3115 75 E 4.5151 9.1149 120.6338 58.7092 29.3471 178.6772 76 A 4.0289 7.8179 120.0303 54.7043 18.5267 178.8800 77 K 4.2771 7.9288 114.5391 56.1987 32.3868 177.6602 78 G 3.9196 7.8377 107.3417 46.3561 0.0000 174.7123 79 L 4.4020 8.0816 121.9980 56.1550 43.4816 176.7302 80 V 4.9574 7.5181 110.5451 60.1578 36.8133 173.7772 81 R 5.0690 8.9668 116.5705 55.1830 33.0422 174.1168 82 R 5.1845 8.9257 120.1969 54.8081 31.8916 175.7302 83 I 4.7741 8.8733 116.2707 59.2035 41.7168 174.3900 84 R 4.7665 8.4034 121.2383 55.1027 31.6508 176.1058 85 D 4.5265 8.7584 123.0033 54.3369 41.8336 177.1974 86 S 4.3723 8.9783 119.9395 59.7519 63.1778 174.4970 87 K 4.5081 7.9376 119.1732 55.8487 33.2620 176.0113 88 D 4.6047 7.6315 114.2817 53.5886 43.2629 176.5580 89 R 4.1042 8.4153 118.4343 57.1824 30.4492 177.5968 90 R 4.1156 7.6080 117.3645 57.6366 30.6684 175.9228 91 I 4.4306 7.9128 119.8699 59.7880 39.5095 174.9382 92 V 4.2766 8.3205 126.7885 62.2808 32.9786 174.4624 93 I 4.8412 9.1201 128.7953 59.5036 40.4935 174.5538 94 V 4.7324 8.8636 126.3196 61.2548 33.4456 173.8755 95 E 4.9956 9.0332 129.3506 54.2039 32.1746 175.0232 96 I 4.3455 8.4187 126.7968 61.1682 39.2442 174.7190 97 T 4.5640 8.2971 117.1701 59.3954 71.5997 173.6438 98 P 4.2109 0.0000 0.0000 65.7354 31.1696 178.8959 99 K 4.0794 8.0774 118.0751 59.3503 32.1149 178.9305 100 G 3.6090 8.1233 106.0843 47.9328 0.0000 175.8840 101 R 3.9474 8.2287 120.5942 58.9445 29.9019 179.0152 102 Q 3.9635 8.0027 119.0539 59.1735 29.0775 178.3818 103 V 3.6078 8.0540 119.5230 65.7646 31.5410 177.6655 104 L 4.0623 8.3339 120.5937 58.1659 41.9182 178.8969 105 L 4.0515 7.8300 118.3736 57.9111 41.5391 179.4996 106 E 3.9243 8.0373 118.2871 59.3851 29.4027 179.2111 107 A 3.9529 8.4658 121.2737 55.0928 18.3594 179.1252 108 N 4.1281 8.7622 115.9815 56.7598 39.0612 176.6575 109 E 3.8703 8.1029 120.6131 59.1935 29.7578 178.8704 110 V 3.4957 7.7927 118.1784 66.1310 31.5357 178.0645 111 L 3.5956 7.7636 118.7433 57.4391 41.2401 179.4572 112 R 3.7941 8.1129 119.0470 59.5643 30.0683 178.4094 113 N 4.3032 8.1168 116.2676 55.9995 38.5114 177.1532 114 L 4.1584 7.6995 123.0472 57.7144 42.1476 179.3142 115 V 3.6526 7.9716 118.3631 65.9152 31.2474 177.3838 116 N 4.2969 8.2521 116.4135 56.5403 38.9039 176.2577 117 E 4.1099 8.6596 119.3497 59.9090 29.4080 179.1767 118 M 4.2031 7.9547 118.6887 57.0341 32.3267 178.0969 119 L 4.7393 8.1141 118.8858 54.1463 42.9822 178.8624 120 S 4.1018 8.2795 116.3637 61.3014 62.7670 174.6440 121 D 4.7148 7.9310 117.3535 52.5863 39.4023 175.6523 122 V 3.9212 7.6127 120.4438 62.4764 31.8154 175.5607 123 E 4.5112 8.5325 126.4824 55.1917 32.0405 174.5608 124 N 4.2150 8.5417 113.3998 54.7598 36.2109 177.5271 125 V 3.5745 7.8926 118.4405 66.0565 31.9243 175.8695 126 E 3.9312 8.2088 118.5690 59.6085 29.4725 178.5768 127 E 4.0079 8.1330 117.8789 59.4076 29.4983 179.1967 128 L 4.0326 7.9038 118.8111 57.5395 41.5540 179.2957 129 L 3.9702 8.2758 120.8021 58.1933 42.0526 178.9608 130 E 4.0567 8.3291 118.6846 59.2484 29.3795 179.4774 131 G 3.6526 8.1327 105.7051 47.9556 0.0000 175.7032 132 L 4.0152 8.2422 122.2425 57.4210 41.6088 179.3957 133 N 4.3193 8.4583 116.6975 56.1138 38.5952 177.3631 134 K 3.9125 8.1962 120.9768 59.5247 32.4534 178.7505 135 I 3.6723 7.8633 120.1412 64.4277 36.8325 178.0111 136 L 3.8804 7.9085 120.1251 58.2572 41.9484 178.9216 137 S 4.2939 7.8722 113.0276 61.5000 62.9346 176.3705 138 R 4.1218 7.6484 120.2071 58.4221 29.8725 178.7443 139 I 3.7969 7.2969 119.1449 64.0587 37.2726 176.2415 *140 G 3.7279 7.9133 111.1437 45.7592 0.0000 172.3214 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 8.30 4.39 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 Q 7.53 4.26 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 3 K 8.66 4.36 0.00 1.79 1.85 0.00 1.95 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.35 7.81 4 I 7.81 3.73 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 1.64 0.52 0.91 0.00 0.00 5 D 7.89 4.63 0.00 2.65 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 6 E 7.87 3.98 0.00 2.15 2.00 0.00 0.00 0.00 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 2.62 0.00 7 K 7.96 3.99 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.49 7.81 8 L 7.84 3.98 0.00 1.75 1.80 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.13 3.92 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 10 L 7.90 3.93 0.00 1.98 1.86 0.92 0.73 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 11 M 7.88 4.11 0.00 2.08 2.20 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 2.60 2.91 0.00 12 N 8.37 4.34 0.00 2.88 2.86 0.00 0.00 7.00 7.89 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 13 T 8.13 3.92 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 1.21 0.00 0.00 14 I 7.89 3.69 2.00 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 1.46 1.05 0.90 0.00 0.00 15 A 8.16 4.04 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.83 3.92 0.00 1.90 1.85 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.72 7.81 17 I 7.91 3.62 2.02 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 1.38 0.73 0.87 0.00 0.00 18 Y 8.08 3.87 0.00 3.08 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 19 R 8.06 3.83 0.00 2.02 1.93 0.00 3.20 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.97 0.00 20 G 8.24 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.11 3.57 0.00 2.87 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 22 I 7.42 3.19 0.83 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 1.27 1.16 0.45 0.00 0.00 23 K 7.30 3.85 0.00 1.78 1.80 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.42 7.81 24 E 7.64 3.95 0.00 2.02 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 2.25 2.38 0.00 25 F 8.47 4.32 0.00 2.83 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 26 N 8.66 4.40 0.00 2.78 2.90 0.00 0.00 6.75 6.80 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 27 N 8.25 4.26 0.00 2.83 2.97 0.00 0.00 6.79 6.95 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 28 R 8.17 3.86 0.00 2.16 1.89 0.00 3.19 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 29 L 8.29 4.11 0.00 1.88 1.81 0.99 1.03 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 30 G 8.36 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.17 4.08 0.00 1.80 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.59 7.81 32 L 7.93 4.35 0.00 1.69 1.71 0.90 0.70 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 33 M 7.78 4.66 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 34 N 8.20 4.33 0.00 2.84 2.87 0.00 0.00 6.90 7.42 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 35 L 7.61 5.02 0.00 1.73 1.55 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.79 4.87 0.00 4.09 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 37 Y 9.22 4.41 0.00 3.19 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 38 L 8.03 3.77 0.00 1.83 1.66 0.80 1.30 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 39 D 8.04 4.30 0.00 3.13 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 40 F 8.10 4.14 0.00 3.15 3.24 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 41 S 7.64 3.31 0.00 3.16 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.45 3.62 1.90 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 1.48 0.71 0.89 0.00 0.00 43 L 7.78 3.92 0.00 1.72 1.65 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.57 3.73 0.00 1.03 1.58 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.37 7.81 45 A 8.09 4.39 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 0.00 0.00 0.00 0.00 0.00 46 T 8.40 4.44 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 1.30 0.00 0.00 47 S 7.84 4.25 0.00 4.04 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 48 E 7.81 4.11 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 49 E 6.89 4.79 0.00 2.10 1.93 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 1.90 1.94 0.00 50 P 0.00 4.67 0.00 1.90 2.00 0.00 3.55 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 51 R 8.65 4.60 0.00 1.72 1.72 0.00 2.21 0.00 0.00 2.75 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 52 S 8.40 5.10 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.73 4.12 0.00 2.07 2.17 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 2.70 2.71 0.00 54 V 7.74 3.58 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 1.01 0.00 0.00 0.93 0.00 0.00 55 Y 8.13 3.93 0.00 3.13 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 56 L 8.18 4.07 0.00 2.00 1.86 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.00 4.03 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 58 N 7.81 3.84 0.00 2.77 2.46 0.00 0.00 7.21 7.25 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 59 R 7.39 3.57 0.00 0.96 1.18 0.00 3.02 0.00 0.00 2.93 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.12 0.00 60 Y 7.41 4.67 0.00 3.14 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 61 F 7.93 3.65 0.00 3.09 3.11 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 0.00 0.00 0.00 62 V 7.54 4.64 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.01 0.00 0.00 63 T 8.13 4.17 4.25 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 1.23 0.00 0.00 64 Q 8.59 4.09 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 65 S 8.07 4.16 0.00 4.06 4.13 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 66 A 8.07 4.00 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 67 I 7.84 3.67 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.89 0.94 0.00 0.00 68 T 8.39 3.88 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 69 A 8.23 4.10 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 70 A 8.04 3.94 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 71 V 8.28 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 1.03 0.00 0.00 0.96 0.00 0.00 72 D 8.31 4.37 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 73 K 7.76 4.00 0.00 1.84 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 74 L 8.03 4.00 0.00 1.83 1.72 0.90 0.70 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 75 E 9.11 4.52 0.00 2.01 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 2.30 2.31 0.00 76 A 7.82 4.03 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.93 4.28 0.00 1.91 1.87 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.69 7.81 78 G 7.84 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.08 4.40 0.00 1.70 1.71 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.52 4.96 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 0.89 0.00 0.00 0.93 0.00 0.00 81 R 8.97 5.07 0.00 1.82 1.96 0.00 2.90 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 82 R 8.93 5.18 0.00 1.71 1.88 0.00 3.11 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 83 I 8.87 4.77 1.86 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 1.32 0.94 0.90 0.00 0.00 84 R 8.40 4.77 0.00 1.71 1.88 0.00 3.21 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 85 D 8.76 4.53 0.00 2.72 2.70 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 86 S 8.98 4.37 0.00 4.01 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 87 K 7.94 4.51 0.00 1.71 1.81 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.31 7.81 88 D 7.63 4.60 0.00 2.70 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.42 4.10 0.00 1.83 1.97 0.00 3.25 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 90 R 7.61 4.12 0.00 1.83 2.08 0.00 3.29 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 91 I 7.91 4.43 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 1.39 0.79 0.91 0.00 0.00 92 V 8.32 4.28 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 0.98 0.00 0.00 0.93 0.00 0.00 93 I 9.12 4.84 1.95 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 1.10 0.75 0.88 0.00 0.00 94 V 8.86 4.73 2.17 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 0.93 0.00 0.00 0.98 0.00 0.00 95 E 9.03 5.00 0.00 2.01 1.73 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 2.17 2.19 0.00 96 I 8.42 4.35 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 1.39 1.01 0.89 0.00 0.00 97 T 8.30 4.56 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 1.25 0.00 0.00 98 P 0.00 4.21 0.00 2.17 2.15 0.00 3.59 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 2.11 2.15 0.00 99 K 8.08 4.08 0.00 1.82 1.95 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 100 G 8.12 3.61 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 0.00 0.00 0.00 101 R 8.23 3.95 0.00 2.03 1.99 0.00 3.13 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 102 Q 8.00 3.96 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 103 V 8.05 3.61 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 0.98 0.00 0.00 0.98 0.00 0.00 104 L 8.33 4.06 0.00 1.84 1.85 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.83 4.05 0.00 1.95 1.72 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.04 3.92 0.00 2.14 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 2.33 2.44 0.00 107 A 8.47 3.95 1.46 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 0.00 0.00 108 N 8.76 4.13 0.00 2.98 3.12 0.00 0.00 6.85 7.62 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 0.00 109 E 8.10 3.87 0.00 2.27 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 0.00 2.29 2.34 0.00 110 V 7.79 3.50 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 0.88 0.00 0.00 0.92 0.00 0.00 111 L 7.76 3.60 0.00 1.16 1.05 -0.16 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.11 3.79 0.00 1.96 1.87 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 113 N 8.12 4.30 0.00 2.80 2.82 0.00 0.00 6.71 6.45 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 0.00 114 L 7.70 4.16 0.00 1.84 1.75 1.00 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 0.00 115 V 7.97 3.65 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 1.09 0.00 0.00 1.06 0.00 0.00 116 N 8.25 4.30 0.00 2.79 3.03 0.00 0.00 7.28 8.10 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 0.00 117 E 8.66 4.11 0.00 2.18 2.32 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 2.57 2.30 0.00 118 M 7.95 4.20 0.00 2.03 2.18 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 2.92 2.58 0.00 119 L 8.11 4.74 0.00 1.66 1.65 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.28 4.10 0.00 3.97 4.14 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 0.00 121 D 7.93 4.71 0.00 2.80 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 0.00 122 V 7.61 3.92 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 123 E 8.53 4.51 0.00 1.99 1.87 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 2.23 2.25 0.00 124 N 8.54 4.22 0.00 2.91 2.89 0.00 0.00 6.44 7.68 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 0.00 125 V 7.89 3.57 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 1.11 0.00 0.00 0.95 0.00 0.00 126 E 8.21 3.93 0.00 2.05 1.95 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 2.40 2.37 0.00 127 E 8.13 4.01 0.00 2.06 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 2.41 2.41 0.00 128 L 7.90 4.03 0.00 1.92 1.73 0.93 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.28 3.97 0.00 1.88 1.89 0.96 0.87 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 0.00 130 E 8.33 4.06 0.00 2.21 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 2.63 0.00 131 G 8.13 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.24 4.02 0.00 1.70 1.74 0.95 0.70 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 0.00 133 N 8.46 4.32 0.00 2.87 2.88 0.00 0.00 6.66 7.82 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 0.00 134 K 8.20 3.91 0.00 1.83 1.94 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 135 I 7.86 3.67 2.01 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 1.06 0.88 0.00 0.00 136 L 7.91 3.88 0.00 1.54 1.85 0.48 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 137 S 7.87 4.29 0.00 4.10 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 4.12 0.00 1.99 2.03 0.00 3.33 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 139 I 7.30 3.80 1.94 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 1.57 0.60 0.84 0.00 0.00 *140 G 7.91 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 * Residues marked with a * may have inaccurate shift predictions.