NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1101 8.0093 120.7836 59.9857 38.0357 174.9215 4 P 4.2751 0.0000 0.0000 61.9234 32.0940 175.1208 5 Q 4.3104 8.2692 119.7278 55.8602 30.6411 176.5956 6 T 4.7734 7.9411 110.3214 59.9758 71.2691 173.9484 7 M 4.2157 8.6810 123.1309 56.2575 32.8302 175.6063 8 Q 4.4505 8.6229 123.3878 55.2288 30.8726 174.8260 9 D 4.3992 8.7419 119.3063 55.1991 38.0189 174.2464 10 L 4.1008 8.1584 120.9890 55.5300 42.5253 176.3627 11 D 4.6498 9.5057 127.7605 52.5853 40.0784 176.1135 12 L 4.1039 8.3746 126.6819 58.0074 42.2625 178.1851 13 Q 4.0989 8.1265 117.2328 58.7825 28.4395 178.0254 14 E 4.1668 8.0518 117.9668 57.9815 29.5532 178.3976 15 V 4.3970 7.8237 111.2177 60.8141 32.3870 176.2132 16 A 4.3463 7.1561 122.5072 53.5104 19.5634 177.1593 17 G 3.8555 8.8168 105.7154 44.2211 0.0000 172.5318 18 T 4.5876 7.9838 117.0512 63.0367 69.3401 174.4626 19 W 5.1801 8.4679 124.3533 55.1725 33.6628 174.0952 20 Y 4.8573 9.5128 118.3084 56.3157 41.5478 175.5545 21 S 4.7248 8.9698 119.1998 58.4139 62.8145 173.6907 22 L 4.5026 9.2612 128.8527 57.3276 43.2230 176.3604 23 A 5.2428 7.6046 118.0051 50.8165 23.0499 174.9232 24 M 5.4292 9.2255 118.0252 53.9750 36.9485 174.3774 25 A 5.2148 9.3582 121.8265 51.1227 23.4002 175.0560 26 A 5.0809 8.8157 120.4892 50.5722 22.6157 177.7674 27 S 4.6862 8.8594 114.7925 59.7236 64.0314 174.1581 28 D 4.9466 7.9014 120.1073 51.8836 43.6899 176.0401 29 I 3.7544 8.6605 127.5517 64.5927 37.3447 178.3960 30 S 4.2153 8.5082 114.0136 61.0612 63.1044 175.5940 31 L 4.1292 7.8545 121.4061 56.9059 41.7818 178.2319 32 L 4.7300 7.8183 115.0122 54.2107 43.3440 177.2944 33 D 4.6256 8.1556 117.4499 55.5590 41.6357 174.8829 34 S 4.7614 7.6510 111.0967 57.4376 66.2271 174.4689 35 E 4.2950 8.8252 119.0669 58.1412 29.3107 177.9587 36 S 4.6607 7.4218 112.2847 57.6195 63.6734 174.2493 37 A 4.1849 7.6990 124.8666 51.5886 18.7175 177.3548 38 P 4.2317 0.0000 0.0000 65.6544 31.0994 177.2193 39 L 4.4737 7.8862 115.6000 54.2695 41.8757 177.8571 40 R 4.0802 7.4259 120.9261 55.2780 27.9730 174.4793 41 V 4.5774 7.2815 112.7342 59.0742 35.5010 174.1664 42 Y 4.5375 8.9917 123.2759 56.2145 39.8054 175.2264 43 V 4.2415 8.8327 126.1874 62.8896 31.9049 175.3696 44 E 4.6493 9.3872 125.5448 57.1840 32.2335 175.3298 45 E 5.1777 7.8914 119.0028 54.9319 33.4362 173.5403 46 L 4.9321 8.7997 125.6695 53.1075 44.6024 175.8517 47 K 4.6237 9.0552 123.3668 53.2532 32.9763 173.7268 48 P 4.8537 0.0000 0.0000 62.8129 32.5316 175.4046 49 T 4.5984 8.3551 112.3174 59.2428 71.2854 173.6424 50 P 4.2584 0.0000 0.0000 65.8633 31.4248 177.8221 51 E 4.0412 8.0549 115.6409 57.6317 29.6457 177.5613 52 G 4.0148 8.2821 107.0867 45.0590 0.0000 173.0769 53 D 5.0038 7.8955 120.1517 53.0616 43.8535 174.9726 54 L 4.5213 8.8895 120.9663 53.8148 45.0500 174.7675 55 E 4.7257 8.9283 128.3740 55.3529 31.6104 174.8968 56 I 4.8067 8.9096 126.9940 59.5379 40.4194 174.2446 57 L 5.0972 8.7758 127.7036 53.2484 43.7974 175.8410 58 L 5.2808 8.9485 122.2333 53.1104 46.7085 174.8904 59 Q 5.0299 9.4671 122.1698 54.8626 31.0145 175.6114 60 K 4.3566 9.5212 125.4109 57.7983 34.3589 176.7527 *67 A 4.1202 7.7265 120.4733 51.8277 19.9739 175.5302 68 Q 4.9894 8.6529 122.7600 54.6553 31.5782 174.5282 69 K 4.6830 8.8572 123.6009 54.6396 36.2203 174.6396 70 K 4.9214 8.7221 127.3104 54.6780 34.8339 174.9032 71 I 4.5468 8.6591 127.9565 59.5535 40.3966 174.3923 72 I 4.6792 8.4682 127.6597 59.6913 38.7907 174.8553 73 A 4.7713 9.0996 130.4722 50.5712 20.5305 175.6671 74 E 4.9370 9.1660 123.6349 55.3741 31.0663 176.9447 75 K 4.3403 9.3247 124.2498 57.7237 33.5791 175.6815 76 T 4.6828 7.5655 109.8633 60.2730 71.7121 173.3614 77 E 4.0051 8.8911 119.4210 58.4349 29.9245 177.2338 78 S 4.5527 7.6612 116.1728 56.3267 63.5854 173.5751 79 P 4.1130 0.0000 0.0000 64.5684 31.5034 176.9623 80 A 4.7631 7.8450 119.1747 51.5741 19.5949 174.9577 81 E 5.2349 7.5166 116.2626 54.8631 32.1719 175.6589 82 F 4.9865 9.3927 121.5847 55.6207 43.9562 173.4161 83 K 5.1749 9.1796 122.8066 54.9937 34.4114 175.1850 84 I 5.0302 8.5902 119.3456 59.2114 41.7458 174.4811 85 D 5.1741 8.0229 119.4796 51.1490 41.2377 173.5405 86 A 4.3321 8.6080 121.5325 52.2828 22.9180 176.6417 87 L 3.8451 9.2118 117.8851 55.5604 39.2401 174.4232 88 D 4.4682 8.3255 114.3626 55.4649 38.2527 173.2436 89 E 4.8747 8.2377 116.5132 54.7081 33.0263 176.0753 90 N 5.9960 9.0370 114.8826 51.2702 39.6383 173.8781 91 K 5.1375 7.9897 118.6839 54.8914 36.9354 175.0340 92 V 4.9972 9.0513 123.8149 61.1294 34.6637 174.1511 93 L 5.3238 9.3330 127.2209 53.0159 45.3533 175.4633 94 V 4.4714 9.1528 124.4785 62.0168 32.3338 176.3625 95 L 4.1681 9.2475 129.2488 57.3406 42.3723 176.9398 96 D 4.5393 7.8714 114.3576 54.3423 44.3200 174.5230 97 T 4.0927 8.1245 116.9965 61.1779 70.1516 172.6303 98 D 4.5668 7.0913 122.8493 52.7688 39.9903 176.8676 99 Y 4.2100 7.8951 123.3732 58.9802 37.0763 170.8054 100 K 4.3184 8.8731 117.3734 57.5651 33.1995 176.9316 101 N 5.1095 8.5747 113.9177 54.3465 41.7286 173.8836 102 Y 5.8123 8.6247 115.0092 55.6543 42.3805 173.7954 103 L 4.6592 9.0392 121.5041 53.7152 46.1866 174.1979 104 L 5.4488 9.2426 126.4720 53.0227 44.5634 175.5440 105 F 5.4941 8.7609 117.0728 55.7579 42.1843 172.4966 106 C 5.4023 9.3155 115.4732 55.5421 45.6380 173.1734 107 M 5.6272 9.0118 120.0262 53.9337 35.6586 174.5535 108 E 5.0057 8.8934 118.1056 55.4129 34.1063 173.6898 109 N 5.1205 9.1790 120.2738 51.8446 39.2728 175.0428 110 A 3.9760 9.1762 130.9477 54.8710 18.5842 178.2473 111 A 4.3646 7.8967 116.8755 53.7262 20.0694 177.8604 112 T 4.7247 8.0971 106.4216 59.6036 69.1334 172.7138 113 P 4.1970 0.0000 0.0000 66.3697 32.0402 179.5828 114 G 3.8070 8.1539 104.8279 47.9716 0.0000 173.6778 115 Q 4.5837 7.8580 116.7446 55.8001 29.2787 175.9689 116 S 4.6721 8.6127 110.4571 57.7175 66.0663 174.2384 117 L 4.3351 8.0721 123.9327 55.2478 42.9756 175.5019 118 A 5.1211 9.1694 127.9473 50.6458 22.5584 174.0614 119 C 5.2869 9.6522 119.5268 55.2251 39.2150 173.1687 120 Q 4.8572 8.4624 118.3830 54.1032 33.3298 173.9172 121 A 4.7982 7.7518 123.1953 50.2296 21.1802 175.8188 122 L 5.2998 9.1586 123.0443 53.3883 44.7771 176.2238 123 V 5.4170 9.1995 114.4269 59.9345 35.4942 177.0060 124 R 3.8387 8.9083 122.1496 58.1625 30.4773 176.9036 125 T 4.6755 7.8978 107.0428 59.6952 71.8984 174.1822 126 Q 3.9361 7.8310 120.9015 55.3650 27.6875 175.6097 127 M 4.7798 7.2068 116.3418 53.0861 36.4141 176.2567 128 V 3.7684 8.3065 121.7190 61.3414 32.6517 175.6424 129 D 4.7944 8.4777 122.9285 52.3952 43.0564 176.0934 130 D 4.4373 8.5656 128.2088 56.8104 40.8464 178.4125 131 E 3.8260 8.2166 119.6292 59.1565 29.7311 178.1929 132 A 3.6392 8.1851 120.7891 55.2921 18.3057 179.5222 133 L 4.0012 7.8484 117.1558 57.9482 41.6911 179.4545 134 E 3.9170 8.1805 119.1814 59.2509 29.5175 179.0365 135 K 3.9582 8.2557 118.8554 59.2064 31.9960 179.1043 136 F 4.2915 8.5187 121.2079 61.6091 39.1547 176.8443 137 D 4.1616 8.1961 117.2950 57.2183 40.7439 178.4966 138 K 4.0096 8.1515 119.8222 59.3779 31.9728 178.7142 139 A 3.9615 7.9731 120.2421 55.2040 18.5809 179.3790 140 L 3.9046 7.8758 116.7579 56.8698 41.3636 179.0849 141 Q 3.8318 7.3687 120.3373 58.0698 28.9457 175.3592 142 P 4.6480 0.0000 0.0000 62.3456 32.0657 175.2954 143 L 4.3122 7.6726 120.0577 53.8356 42.9506 175.7127 144 P 4.5087 0.0000 0.0000 61.7341 30.1168 174.9877 145 M 4.5235 7.3673 120.7036 55.8272 33.4336 176.2644 146 H 4.9448 8.9941 117.9120 55.4098 31.1194 173.7357 147 I 4.6778 7.5495 118.8536 59.1827 41.4528 173.5585 148 R 5.1496 8.6204 128.2305 54.6328 33.1566 173.9294 149 L 4.9070 9.3958 125.4899 52.8483 45.5954 175.6326 150 S 4.8866 8.1343 115.5077 56.5584 66.1250 172.9649 151 F 4.9822 8.9640 119.6787 55.6785 42.9082 174.5304 152 N 4.7008 8.7571 119.5775 52.0037 38.5997 174.0652 153 P 4.3858 0.0000 0.0000 65.8837 31.0699 178.4759 154 T 4.0820 7.7709 114.9261 65.9764 68.3301 176.1776 155 R 4.0103 7.8195 119.0207 59.6049 30.2697 178.5083 156 M 3.9227 7.7640 116.0763 58.2221 32.4063 175.6390 157 A 4.2381 7.4872 124.9317 52.6882 18.5681 176.8404 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 I 8.01 4.11 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 1.47 1.34 0.90 0.00 0.00 4 P 0.00 4.28 0.00 2.30 2.01 0.00 3.81 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 1.99 2.03 0.00 5 Q 8.27 4.31 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 6 T 7.94 4.77 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 7 M 8.68 4.22 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 8 Q 8.62 4.45 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 9 D 8.74 4.40 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 10 L 8.16 4.10 0.00 1.67 1.69 1.06 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 11 D 9.51 4.65 0.00 2.61 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 0.00 0.00 0.00 0.00 12 L 8.37 4.10 0.00 1.87 1.73 1.12 0.68 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 13 Q 8.13 4.10 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 14 E 8.05 4.17 0.00 1.61 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 2.14 2.16 0.00 15 V 7.82 4.40 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 0.92 0.00 0.00 1.05 0.00 0.00 16 A 7.16 4.35 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 17 G 8.82 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 0.00 0.00 0.00 18 T 7.98 4.59 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 0.82 0.00 0.00 19 W 8.47 5.18 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.51 4.86 0.00 3.01 2.89 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 21 S 8.97 4.72 0.00 3.88 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 22 L 9.26 4.50 0.00 1.87 1.73 0.94 1.38 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 23 A 7.60 5.24 1.05 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 0.00 0.00 24 M 9.23 5.43 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.44 0.00 25 A 9.36 5.21 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.82 5.08 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 27 S 8.86 4.69 0.00 3.90 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 28 D 7.90 4.95 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.66 3.75 1.88 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 1.59 0.83 0.92 0.00 0.00 30 S 8.51 4.22 0.00 3.97 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 31 L 7.85 4.13 0.00 1.80 1.77 0.98 0.46 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 32 L 7.82 4.73 0.00 1.75 1.67 0.93 0.79 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 D 8.16 4.63 0.00 2.91 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 34 S 7.65 4.76 0.00 4.09 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 35 E 8.83 4.29 0.00 2.06 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 0.00 2.52 2.52 0.00 36 S 7.42 4.66 0.00 3.94 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 37 A 7.70 4.18 1.49 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 38 P 0.00 4.23 0.00 2.19 2.23 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 39 L 7.89 4.47 0.00 1.72 1.71 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.43 4.08 0.00 1.78 1.92 0.00 3.30 0.00 0.00 3.55 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.31 0.00 41 V 7.28 4.58 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 0.78 0.00 0.00 0.95 0.00 0.00 42 Y 8.99 4.54 0.00 2.90 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 43 V 8.83 4.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.08 0.00 0.00 44 E 9.39 4.65 0.00 1.96 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 0.00 2.19 2.28 0.00 45 E 7.89 5.18 0.00 2.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 46 L 8.80 4.93 0.00 1.96 1.55 0.61 0.24 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 K 9.06 4.62 0.00 1.69 1.65 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.36 7.81 48 P 0.00 4.85 0.00 2.13 1.98 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 49 T 8.36 4.60 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 1.24 0.00 0.00 50 P 0.00 4.26 0.00 2.06 2.17 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 51 E 8.05 4.04 0.00 2.14 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 2.32 2.37 0.00 52 G 8.28 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 0.00 0.00 0.00 53 D 7.90 5.00 0.00 2.65 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 54 L 8.89 4.52 0.00 1.03 0.61 0.72 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.93 4.73 0.00 2.05 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 2.22 2.24 0.00 56 I 8.91 4.81 1.74 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.39 0.74 0.00 0.00 57 L 8.78 5.10 0.00 1.56 1.55 0.90 0.63 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 58 L 8.95 5.28 0.00 1.54 1.62 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 9.47 5.03 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 60 K 9.52 4.36 0.00 1.64 1.86 0.00 1.82 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.39 7.81 *67 A 7.73 4.12 1.30 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 0.00 0.00 0.00 68 Q 8.65 4.99 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.64 0.00 0.00 0.00 0.00 0.00 2.26 2.59 0.00 69 K 8.86 4.68 0.00 1.80 1.56 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.53 7.81 70 K 8.72 4.92 0.00 1.74 1.63 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.45 7.81 71 I 8.66 4.55 1.82 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 1.22 0.58 0.88 0.00 0.00 72 I 8.47 4.68 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 1.25 0.53 0.94 0.00 0.00 73 A 9.10 4.77 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 74 E 9.17 4.94 0.00 1.96 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 2.48 2.43 0.00 75 K 9.32 4.34 0.00 1.68 2.16 0.00 1.56 0.00 0.00 1.95 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.69 1.40 7.81 76 T 7.57 4.68 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 77 E 8.89 4.01 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 78 S 7.66 4.55 0.00 3.79 3.71 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 79 P 0.00 4.11 0.00 2.03 2.11 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 80 A 7.84 4.76 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 81 E 7.52 5.23 0.00 1.70 1.78 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 2.20 2.17 0.00 82 F 9.39 4.99 0.00 2.96 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 83 K 9.18 5.17 0.00 1.86 1.68 0.00 1.48 0.00 0.00 1.95 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.43 7.81 84 I 8.59 5.03 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.82 0.97 0.00 0.00 85 D 8.02 5.17 0.00 2.58 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 86 A 8.61 4.33 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 87 L 9.21 3.85 0.00 1.82 1.77 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.33 4.47 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.24 4.87 0.00 2.06 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 2.45 2.38 0.00 90 N 9.04 6.00 0.00 2.79 2.98 0.00 0.00 6.64 8.19 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 91 K 7.99 5.14 0.00 1.81 1.72 0.00 1.64 0.00 0.00 1.93 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.37 7.81 92 V 9.05 5.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.97 0.00 0.00 93 L 9.33 5.32 0.00 1.61 1.58 0.96 0.70 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 94 V 9.15 4.47 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.99 0.00 0.00 95 L 9.25 4.17 0.00 1.78 1.77 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 96 D 7.87 4.54 0.00 2.83 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.12 4.09 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 0.50 0.00 0.00 98 D 7.09 4.57 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.90 4.21 0.00 3.25 3.39 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 0.00 100 K 8.87 4.32 0.00 1.72 1.89 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 101 N 8.57 5.11 0.00 3.11 2.95 0.00 0.00 6.64 7.48 0.00 0.00 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 8.62 5.81 0.00 3.07 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 0.00 103 L 9.04 4.66 0.00 0.65 0.36 0.47 0.33 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 0.00 104 L 9.24 5.45 0.00 1.71 1.71 1.08 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.76 5.49 0.00 3.19 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 9.32 5.40 0.00 2.90 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 M 9.01 5.63 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.61 0.00 108 E 8.89 5.01 0.00 2.02 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 2.22 2.12 0.00 109 N 9.18 5.12 0.00 2.91 2.76 0.00 0.00 7.41 8.20 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 0.00 110 A 9.18 3.98 1.31 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 0.00 0.00 0.00 111 A 7.90 4.36 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 0.00 112 T 8.10 4.72 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 1.21 0.00 0.00 113 P 0.00 4.20 0.00 2.19 2.14 0.00 3.62 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 2.11 2.09 0.00 114 G 8.15 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 0.00 0.00 0.00 115 Q 7.86 4.58 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 116 S 8.61 4.67 0.00 3.95 3.90 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 0.00 0.00 0.00 117 L 8.07 4.34 0.00 1.89 1.58 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 118 A 9.17 5.12 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 0.00 119 C 9.65 5.29 0.00 2.82 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 0.00 120 Q 8.46 4.86 0.00 1.29 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.04 1.70 0.00 121 A 7.75 4.80 0.52 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 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.16 5.30 0.00 1.37 1.75 0.54 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 123 V 9.20 5.42 2.26 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 0.94 0.00 0.00 1.22 0.00 0.00 124 R 8.91 3.84 0.00 1.59 1.75 0.00 2.54 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.46 0.00 125 T 7.90 4.68 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 126 Q 7.83 3.94 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.87 0.00 0.00 0.00 0.00 0.00 1.33 1.16 0.00 127 M 7.21 4.78 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 128 V 8.31 3.77 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 0.69 0.00 0.00 0.94 0.00 0.00 129 D 8.48 4.79 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.57 4.44 0.00 2.73 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 0.00 131 E 8.22 3.83 0.00 2.05 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 0.00 2.32 2.26 0.00 132 A 8.19 3.64 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 0.00 133 L 7.85 4.00 0.00 1.91 1.79 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.18 3.92 0.00 2.03 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 0.00 2.28 2.33 0.00 135 K 8.26 3.96 0.00 1.74 1.75 0.00 0.98 0.00 0.00 0.97 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.43 7.81 136 F 8.52 4.29 0.00 3.04 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 0.00 137 D 8.20 4.16 0.00 2.65 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 0.00 138 K 8.15 4.01 0.00 1.95 1.96 0.00 1.50 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.49 7.81 139 A 7.97 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.88 3.90 0.00 1.62 1.49 0.29 -0.14 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 0.00 141 Q 7.37 3.83 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 142 P 0.00 4.65 0.00 2.18 2.10 0.00 3.89 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.93 0.00 143 L 7.67 4.31 0.00 1.66 1.55 0.83 1.18 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 0.00 144 P 0.00 4.51 0.00 2.20 2.18 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 145 M 7.37 4.52 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 146 H 8.99 4.94 0.00 3.08 3.29 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.55 4.68 1.88 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 1.48 1.03 0.00 0.00 148 R 8.62 5.15 0.00 1.77 1.71 0.00 3.21 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 149 L 9.40 4.91 0.00 1.38 0.96 1.14 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.13 4.89 0.00 3.75 3.71 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 0.00 151 F 8.96 4.98 0.00 3.03 3.09 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 0.00 152 N 8.76 4.70 0.00 2.79 2.76 0.00 0.00 6.93 7.71 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 0.00 153 P 0.00 4.39 0.00 1.99 2.10 0.00 3.67 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.29 0.00 154 T 7.77 4.08 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 1.19 0.00 0.00 155 R 7.82 4.01 0.00 1.78 1.97 0.00 3.35 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 156 M 7.76 3.92 0.00 1.67 1.40 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.64 0.00 157 A 7.49 4.24 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 * Residues marked with a * may have inaccurate shift predictions.