NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.1011 8.0544 120.3164 61.2778 32.8029 174.4856 4 R 4.1059 8.5616 126.0453 55.8077 31.0593 173.6865 5 S 5.6312 8.6873 121.3929 56.8522 67.5477 172.2807 6 L 4.9561 8.8741 120.3801 54.5270 44.4158 174.5554 7 N 5.6632 8.6854 116.8178 51.7718 41.2380 173.6463 8 C 4.6960 9.0949 117.5554 57.5397 34.0750 172.5086 9 G 4.6630 9.0080 105.8945 43.6388 0.0000 172.1422 10 L 5.4797 8.4842 118.2351 52.8550 46.0667 175.9447 11 R 5.2476 9.2737 122.2388 54.6354 34.0934 174.5868 12 D 4.6273 9.4107 126.6879 52.6380 40.7133 177.3117 13 S 4.1036 8.1951 112.9766 61.0757 62.9725 175.0911 14 Q 4.2331 8.0413 118.2198 55.7088 28.5934 175.8481 15 Q 3.7411 8.1274 116.0117 56.4012 26.8954 172.5137 16 K 4.4248 8.3235 119.0525 55.7717 33.3952 176.5097 17 S 4.9880 8.8653 121.8402 57.9231 64.8054 173.5508 18 L 4.8785 8.5819 123.4957 54.5441 43.0179 176.1966 19 V 4.7291 8.7940 122.1123 61.2593 35.8889 174.1877 20 M 4.4160 8.4956 122.5023 54.8553 32.0226 175.0464 21 S 4.4715 8.0612 115.4414 58.0330 64.6998 177.3322 22 G 4.3821 7.3461 115.7767 43.7490 0.0000 170.3852 23 P 4.0482 0.0000 0.0000 64.9828 31.5088 176.2708 24 Y 4.9359 7.2114 115.9743 56.7570 39.1062 174.4053 25 E 4.8424 7.9034 117.5794 55.3578 33.2698 173.5544 26 L 5.3862 8.5709 124.4627 53.0316 45.4171 175.1994 27 K 5.3092 9.0869 119.1486 55.4868 37.0270 174.6641 28 A 5.4210 8.9408 122.2140 50.1895 22.1383 175.1656 29 L 4.9457 8.6015 120.8838 54.5391 43.4343 174.2005 30 H 4.8424 9.4565 121.9556 56.1337 30.4299 173.7965 31 L 5.4109 8.2473 129.3905 55.0313 44.3033 176.2035 32 Q 3.5810 9.4975 128.5430 57.8078 26.9021 176.8280 33 G 3.9598 8.5246 103.5372 42.6096 0.0000 172.1529 34 Q 4.3198 6.8411 130.4540 55.0740 34.2087 173.2734 35 D 4.9584 6.8189 116.1952 52.5380 43.7401 176.4252 36 M 4.4388 8.8824 123.2456 55.9909 32.6905 178.3039 37 E 3.6368 7.9956 121.7178 59.0897 31.1677 177.4714 38 Q 4.2179 7.4538 118.1665 56.1775 26.7074 175.6961 39 Q 4.3615 8.0832 120.5451 55.0011 30.0721 176.3475 40 V 3.5936 7.9491 120.2564 63.1478 32.5374 175.4010 41 V 4.2257 7.9604 126.5027 61.5801 33.0241 174.7352 42 F 4.8933 9.2590 127.3567 56.3736 41.5699 175.0343 43 S 5.0434 9.1800 116.5574 56.9970 64.6376 172.3350 44 M 4.9115 9.0228 128.7795 54.1414 33.8033 174.7656 45 S 5.2077 8.7138 122.2883 57.0618 66.1791 173.8276 46 F 4.8101 8.8109 122.8558 56.8032 38.1323 176.1112 47 V 4.2331 7.9744 118.1682 60.1350 33.9976 174.8512 48 Q 4.5012 9.1355 121.5831 54.2101 30.3382 176.0244 49 G 3.8391 8.0419 110.1612 45.2319 0.0000 170.7409 50 E 3.9408 8.3894 121.0444 56.7992 29.6457 177.8778 51 E 4.6985 8.2595 129.4665 54.0423 28.3079 175.5569 52 S 4.3570 7.6641 118.1864 58.1071 63.6950 174.5006 53 N 4.1077 8.1505 116.6434 56.4863 38.5984 175.2334 54 D 5.0024 8.0255 113.6559 52.9238 41.4619 174.1124 55 K 5.0722 7.7156 118.1769 55.1566 34.7726 175.2975 56 I 4.7225 8.4485 125.0521 58.8380 41.0295 173.0638 57 P 4.9923 0.0000 0.0000 62.7545 32.5268 175.9548 58 V 4.7699 9.1393 116.3906 59.6730 36.8879 173.9761 59 A 5.3958 8.6994 122.6936 50.3059 22.4316 175.2291 60 L 4.8163 8.8957 121.1465 53.0428 44.1332 175.7251 61 G 3.3414 8.8673 111.8284 43.7272 0.0000 171.9179 62 L 4.4291 8.2279 122.9619 52.7741 42.6253 176.5039 63 K 3.8105 8.2737 125.9611 58.1215 32.2649 176.0578 64 E 3.8566 8.9335 123.6095 57.2095 26.8424 175.0143 65 K 4.3376 7.9719 118.9879 55.5772 34.1234 176.2836 66 N 4.4046 8.2177 114.9148 54.4284 35.6193 172.9680 67 L 5.3559 7.7736 116.5833 53.2535 45.0928 175.3865 68 Y 4.7889 8.9374 119.9002 55.8610 41.6700 174.9757 69 L 4.9704 8.9769 123.0444 54.9651 43.1255 176.3112 70 S 4.9434 9.4571 116.7634 57.0824 67.0527 172.3277 71 C 5.2832 8.8826 119.5975 58.3996 29.7329 173.8122 72 V 4.6790 8.5658 115.9688 59.6081 36.4255 173.8516 73 L 4.5712 8.4454 124.5312 53.9588 43.2248 176.2210 74 K 4.4328 8.3663 125.1502 56.0981 35.9456 176.1380 75 D 4.1387 9.3778 123.7352 55.7720 38.2709 173.2614 76 D 4.4013 8.3611 113.0371 54.9958 38.8757 173.5552 77 K 4.3540 7.6246 118.7518 53.5823 35.8987 173.5417 78 P 3.6362 0.0000 0.0000 62.7586 31.6187 175.8168 79 T 4.6474 8.8562 121.3229 61.4075 72.5201 172.8941 80 L 5.0357 8.6698 128.0373 54.7623 42.9744 175.6090 81 Q 4.7767 9.3613 123.5440 54.5176 32.9506 173.8684 82 L 5.1248 8.6357 119.3759 53.3079 43.5234 175.6893 83 E 4.7487 9.3212 125.8168 54.4776 32.3003 175.2485 84 S 4.9206 8.5297 120.1246 58.7175 63.8536 173.8212 85 V 4.3896 8.0744 114.7080 59.6988 36.2064 174.2905 86 D 4.6961 8.5529 121.9298 52.5705 41.7961 175.5176 87 P 4.4094 0.0000 0.0000 65.9350 31.1125 178.4482 88 K 4.1340 8.0741 117.5822 59.3972 32.1002 178.5264 89 N 4.4871 8.1697 114.3569 53.7085 39.0998 174.6158 90 Y 4.6305 7.1460 116.8882 54.9437 41.1666 174.2022 91 P 4.2596 0.0000 0.0000 66.2001 32.4092 177.7130 92 K 3.4812 8.7094 120.2852 55.3096 33.0762 172.9850 93 K 3.3430 8.3891 115.4848 57.2640 31.7663 173.7093 94 K 4.3052 8.1969 121.0020 56.8288 33.6633 175.3286 95 M 4.5352 8.2465 121.3048 52.9130 33.6243 175.5977 96 E 4.1474 8.7080 118.3007 56.2365 30.5318 178.2631 97 K 3.7738 8.9692 122.8422 59.7118 32.4449 179.3323 98 R 3.7358 7.8018 114.2187 58.5070 29.1927 177.7514 99 F 5.0919 7.7822 114.8819 57.0832 39.9057 175.7598 100 V 4.3629 7.6133 122.4413 62.1525 32.7321 174.7529 101 F 5.3480 9.4410 126.1880 55.7693 42.8234 173.8175 102 N 4.9735 9.5007 120.7113 52.2145 40.2558 174.1966 103 K 4.2700 9.1944 126.9237 55.5285 33.6218 175.2761 104 I 4.7407 8.2663 129.8295 59.9295 38.7829 175.0283 105 E 4.3697 8.8482 127.3549 56.1433 30.4342 174.4434 106 I 4.0232 8.4493 120.8300 62.3655 40.0877 175.6147 *108 N 4.7227 8.2259 122.8949 53.2898 41.4545 173.7675 109 K 4.8543 7.8561 116.3377 55.2571 36.1345 174.5152 110 L 5.2537 9.0986 120.3207 53.1502 45.5436 175.9396 111 E 5.3566 8.3847 119.7853 53.6674 33.9669 175.3467 112 F 5.0882 8.8941 119.5850 56.0129 42.4853 173.2882 113 E 4.8678 9.2535 126.0053 54.2597 31.6468 175.1131 114 S 4.1508 9.1511 122.1277 58.4990 62.2741 173.9939 115 A 4.0747 8.5259 129.9818 54.9780 18.1889 178.6888 116 Q 3.6910 7.9339 115.5453 58.3660 29.5038 175.9342 117 F 4.7272 7.7611 116.2950 53.9043 39.8065 171.1622 118 P 4.4377 0.0000 0.0000 64.3279 31.7662 176.5037 119 N 4.4176 10.4384 119.0843 53.1579 36.8799 173.7726 120 W 4.9976 8.1220 119.1400 55.3028 31.4015 174.8822 121 Y 5.4689 9.2801 121.3026 55.8895 41.8042 175.0060 122 I 4.3293 8.5515 123.4255 61.9001 37.5850 175.8649 123 S 5.6384 9.8290 122.8518 56.0353 67.7445 172.9209 124 T 5.1472 8.1422 110.3873 60.2281 72.6256 173.1814 125 S 5.0034 8.7127 118.4536 57.5959 64.3466 174.8313 126 Q 4.0544 8.7291 119.2736 58.9190 28.7299 177.5559 127 A 4.2060 7.7066 118.9296 51.8220 17.8136 176.8649 128 E 4.2725 8.5458 119.8364 56.6866 30.4214 176.3590 129 N 4.2539 8.4783 114.9842 54.8567 36.9365 174.3290 130 M 4.7854 7.1534 114.1373 52.7808 34.9832 174.2677 131 P 5.4740 0.0000 0.0000 62.5534 32.2327 176.3496 132 V 4.4559 8.4747 122.8603 63.0298 32.7908 174.6192 133 F 5.0047 8.9675 120.5239 56.1913 41.9973 172.3669 134 L 5.0836 8.8669 119.2546 53.7320 42.5215 176.8348 135 G 4.3897 9.9742 111.9012 43.6752 0.0000 172.7515 136 G 3.5281 7.7684 109.1469 44.4109 0.0000 172.6129 137 T 4.1659 7.0855 115.7837 64.6899 72.0651 176.3965 138 K 3.5702 8.2957 117.4273 56.2580 30.7107 174.6753 139 G 3.9669 7.3349 101.2386 45.1645 0.0000 173.3463 140 G 3.7771 8.3886 108.7102 44.5738 0.0000 174.1091 141 Q 4.4039 8.6507 120.8986 56.0429 29.4549 175.0074 142 D 5.0469 7.7908 118.6948 52.9164 42.9463 175.8221 143 I 4.0688 8.3079 124.5842 60.8532 37.7341 176.5681 144 T 4.7620 8.1649 112.1746 61.0480 70.2410 172.5624 145 D 5.2908 7.3216 122.6145 52.9581 43.7805 175.2329 146 F 5.3857 9.2315 120.4754 56.6958 44.5012 173.1224 147 T 5.0307 9.3767 109.4778 60.3093 72.2476 172.9247 148 M 4.7940 8.7029 122.9442 55.0140 33.1439 175.5799 149 Q 4.7960 9.1085 122.5495 53.9672 32.2161 175.2843 150 F 4.6028 8.9185 121.5643 57.2616 40.0982 175.0630 151 V 4.2325 8.5822 122.5014 63.1477 33.5718 176.9203 152 S 3.3513 9.2188 116.3288 60.4111 61.5847 172.2237 153 S 4.4931 8.8494 116.7748 59.5195 62.6572 169.4104 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 3 V 8.05 4.10 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 0.91 0.00 0.00 0.99 0.00 0.00 4 R 8.56 4.11 0.00 2.05 1.95 0.00 3.00 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 5 S 8.69 5.63 0.00 3.82 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 6 L 8.87 4.96 0.00 1.81 1.84 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.69 5.66 0.00 2.61 2.76 0.00 0.00 6.72 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 8 C 9.09 4.70 0.00 3.00 2.92 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 9 G 9.01 4.66 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 0.00 10 L 8.48 5.48 0.00 1.51 1.42 -0.34 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 11 R 9.27 5.25 0.00 1.90 1.80 0.00 3.16 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 12 D 9.41 4.63 0.00 2.32 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.20 4.10 0.00 3.94 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 14 Q 8.04 4.23 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.46 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 15 Q 8.13 3.74 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.92 0.00 0.00 0.00 0.00 0.00 2.22 2.45 0.00 16 K 8.32 4.42 0.00 1.96 1.89 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.43 7.81 17 S 8.87 4.99 0.00 3.98 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.58 4.88 0.00 1.80 1.68 0.87 0.94 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 19 V 8.79 4.73 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 1.05 0.00 0.00 1.00 0.00 0.00 20 M 8.50 4.42 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 21 S 8.06 4.47 0.00 3.82 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 22 G 7.35 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 0.00 0.00 0.00 0.00 23 P 0.00 4.05 0.00 0.80 1.75 0.00 3.37 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 24 Y 7.21 4.94 0.00 3.03 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 25 E 7.90 4.84 0.00 2.07 1.76 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 2.34 2.39 0.00 26 L 8.57 5.39 0.00 1.68 1.58 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.09 5.31 0.00 1.85 1.89 0.00 1.38 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.41 7.81 28 A 8.94 5.42 1.32 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 0.00 0.00 29 L 8.60 4.95 0.00 1.90 1.84 0.94 0.85 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 30 H 9.46 4.84 0.00 3.28 3.27 0.00 5.81 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.25 5.41 0.00 1.65 1.59 0.98 1.14 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 32 Q 9.50 3.58 0.00 2.16 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.18 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 33 G 8.52 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 34 Q 6.84 4.32 0.00 2.17 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.63 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 35 D 6.82 4.96 0.00 2.90 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 36 M 8.88 4.44 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 37 E 8.00 3.64 0.00 1.93 1.91 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 2.30 2.46 0.00 38 Q 7.45 4.22 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 39 Q 8.08 4.36 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.08 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 40 V 7.95 3.59 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 -0.09 0.00 0.00 0.72 0.00 0.00 41 V 7.96 4.23 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 0.89 0.00 0.00 0.87 0.00 0.00 42 F 9.26 4.89 0.00 2.84 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 43 S 9.18 5.04 0.00 3.79 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 44 M 9.02 4.91 0.00 2.02 1.77 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.85 0.00 45 S 8.71 5.21 0.00 3.87 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 46 F 8.81 4.81 0.00 3.17 3.10 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 0.00 0.00 0.00 47 V 7.97 4.23 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 0.65 0.00 0.00 0.99 0.00 0.00 48 Q 9.14 4.50 0.00 2.01 1.99 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 2.28 2.41 0.00 49 G 8.04 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 0.00 0.00 0.00 50 E 8.39 3.94 0.00 1.93 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 2.30 2.41 0.00 51 E 8.26 4.70 0.00 2.02 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 2.31 2.32 0.00 52 S 7.66 4.36 0.00 3.90 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 53 N 8.15 4.11 0.00 2.71 2.86 0.00 0.00 6.61 8.06 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 54 D 8.03 5.00 0.00 2.86 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 55 K 7.72 5.07 0.00 1.78 1.77 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.40 7.81 56 I 8.45 4.72 2.04 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 1.33 1.15 1.22 0.00 0.00 57 P 0.00 4.99 0.00 2.13 2.02 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 58 V 9.14 4.77 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 0.56 0.00 0.00 1.16 0.00 0.00 59 A 8.70 5.40 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 60 L 8.90 4.82 0.00 1.31 1.19 -0.36 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.87 3.34 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 0.00 62 L 8.23 4.43 0.00 1.49 1.45 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.27 3.81 0.00 1.70 1.67 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.42 7.81 64 E 8.93 3.86 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 65 K 7.97 4.34 0.00 1.67 1.80 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.41 7.81 66 N 8.22 4.40 0.00 2.96 3.15 0.00 0.00 6.96 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 67 L 7.77 5.36 0.00 1.54 1.54 0.95 1.08 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 68 Y 8.94 4.79 0.00 2.75 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 69 L 8.98 4.97 0.00 1.93 1.80 0.55 1.15 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 70 S 9.46 4.94 0.00 3.60 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 71 C 8.88 5.28 0.00 2.90 3.06 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 0.00 72 V 8.57 4.68 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 0.73 0.00 0.00 0.89 0.00 0.00 73 L 8.45 4.57 0.00 1.66 1.53 0.63 0.56 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 74 K 8.37 4.43 0.00 1.76 1.58 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.34 7.81 75 D 9.38 4.14 0.00 2.75 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 76 D 8.36 4.40 0.00 2.78 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 77 K 7.62 4.35 0.00 1.76 1.61 0.00 1.64 0.00 0.00 1.97 0.00 0.00 3.29 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.14 7.81 78 P 0.00 3.64 0.00 0.49 0.49 0.00 2.20 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.77 0.00 79 T 8.86 4.65 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 80 L 8.67 5.04 0.00 1.77 1.69 1.09 0.74 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 81 Q 9.36 4.78 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.52 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 82 L 8.64 5.12 0.00 1.69 1.81 1.01 0.89 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 83 E 9.32 4.75 0.00 2.15 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 0.00 2.30 2.29 0.00 84 S 8.53 4.92 0.00 3.80 3.79 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 0.00 0.00 0.00 85 V 8.07 4.39 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 -0.14 0.00 0.00 0.85 0.00 0.00 86 D 8.55 4.70 0.00 2.80 2.65 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 87 P 0.00 4.41 0.00 2.30 2.45 0.00 3.86 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 88 K 8.07 4.13 0.00 1.92 1.92 0.00 2.02 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.61 7.81 89 N 8.17 4.49 0.00 2.77 2.64 0.00 0.00 6.69 7.46 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 90 Y 7.15 4.63 0.00 2.90 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 91 P 0.00 4.26 0.00 2.22 2.36 0.00 3.93 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 2.04 2.06 0.00 92 K 8.71 3.48 0.00 1.72 1.69 0.00 1.84 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.31 1.33 7.81 93 K 8.39 3.34 0.00 1.71 1.66 0.00 1.04 0.00 0.00 0.76 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.10 1.21 7.81 94 K 8.20 4.31 0.00 1.80 1.77 0.00 1.54 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.41 7.81 95 M 8.25 4.54 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 96 E 8.71 4.15 0.00 2.20 1.91 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 2.49 2.47 0.00 97 K 8.97 3.77 0.00 1.69 1.86 0.00 1.58 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.40 7.81 98 R 7.80 3.74 0.00 1.80 1.98 0.00 2.61 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.00 99 F 7.78 5.09 0.00 3.13 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 0.00 100 V 7.61 4.36 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 0.97 0.00 0.00 0.98 0.00 0.00 101 F 9.44 5.35 0.00 3.16 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 0.00 102 N 9.50 4.97 0.00 2.66 2.79 0.00 0.00 6.52 8.52 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 0.00 103 K 9.19 4.27 0.00 1.85 1.89 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.23 0.83 7.81 104 I 8.27 4.74 1.86 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.00 0.92 0.00 0.00 105 E 8.85 4.37 0.00 1.83 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 2.28 2.28 0.00 106 I 8.45 4.02 2.06 0.00 0.00 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 1.16 0.58 0.92 0.00 0.00 *108 N 8.23 4.72 0.00 2.76 2.86 0.00 0.00 6.77 6.68 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 0.00 109 K 7.86 4.85 0.00 1.74 1.71 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.41 7.81 110 L 9.10 5.25 0.00 1.42 1.04 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.38 5.36 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.04 0.00 112 F 8.89 5.09 0.00 2.80 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 0.00 113 E 9.25 4.87 0.00 2.08 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 1.97 1.47 0.00 114 S 9.15 4.15 0.00 4.00 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 0.00 115 A 8.53 4.07 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 0.00 116 Q 7.93 3.69 0.00 1.76 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.10 0.00 0.00 0.00 0.00 0.00 1.84 1.16 0.00 117 F 7.76 4.73 0.00 3.04 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 0.00 118 P 0.00 4.44 0.00 2.08 2.03 0.00 3.79 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 2.02 2.23 0.00 119 N 10.44 4.42 0.00 2.97 2.97 0.00 0.00 6.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 8.12 5.00 0.00 3.39 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 0.00 121 Y 9.28 5.47 0.00 2.92 2.93 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 0.00 122 I 8.55 4.33 1.85 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.42 0.60 0.00 0.00 123 S 9.83 5.64 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 0.00 124 T 8.14 5.15 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 1.40 0.00 0.00 125 S 8.71 5.00 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 0.00 126 Q 8.73 4.05 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.61 2.31 0.00 127 A 7.71 4.21 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 0.00 128 E 8.55 4.27 0.00 2.03 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 2.42 2.29 0.00 129 N 8.48 4.25 0.00 2.89 2.91 0.00 0.00 6.85 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 0.00 130 M 7.15 4.79 0.00 1.94 2.02 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 2.55 2.89 0.00 131 P 0.00 5.47 0.00 2.04 2.25 0.00 3.75 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 132 V 8.47 4.46 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 0.86 0.00 0.00 1.02 0.00 0.00 133 F 8.97 5.00 0.00 3.13 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 0.00 134 L 8.87 5.08 0.00 1.84 2.03 0.90 1.06 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 0.00 135 G 9.97 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 G 7.77 3.53 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 0.00 0.00 0.00 137 T 7.09 4.17 4.20 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 1.20 0.00 0.00 138 K 8.30 3.57 0.00 1.48 1.67 0.00 1.55 0.00 0.00 0.68 0.00 0.00 2.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.06 0.93 7.81 139 G 7.33 3.97 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 0.00 140 G 8.39 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 0.00 141 Q 8.65 4.40 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 142 D 7.79 5.05 0.00 2.79 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 0.00 143 I 8.31 4.07 1.69 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 1.24 0.58 0.67 0.00 0.00 144 T 8.16 4.76 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 1.05 0.00 0.00 145 D 7.32 5.29 0.00 2.39 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 0.00 146 F 9.23 5.39 0.00 3.13 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 T 9.38 5.03 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 1.25 0.00 0.00 148 M 8.70 4.79 0.00 1.83 2.02 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 2.66 2.58 0.00 149 Q 9.11 4.80 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 150 F 8.92 4.60 0.00 3.05 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 0.00 151 V 8.58 4.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 152 S 9.22 3.35 0.00 4.07 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 0.00 153 S 8.85 4.49 0.00 3.91 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 * Residues marked with a * may have inaccurate shift predictions.