NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3668 8.2493 123.5838 52.6360 19.0023 176.0008 2 T 4.6459 8.3153 110.9376 61.5470 71.0378 172.0079 3 K 5.3200 8.3100 123.3464 55.1117 37.3409 176.1080 4 A 5.3486 9.2131 124.4705 50.8185 23.4604 174.9600 5 V 4.9952 8.7450 117.2431 60.8742 35.5098 173.6150 6 C 4.9154 9.1036 121.4601 58.0324 35.4049 172.5878 7 V 4.6399 8.4440 125.8389 61.3688 33.2085 174.1673 8 L 4.7135 8.8707 129.1520 54.0411 43.2201 176.1666 9 K 4.9476 8.9363 121.5351 55.7253 37.1766 176.1637 10 G 4.7038 7.9376 108.5939 45.3092 0.0000 172.0418 11 D 4.5255 8.8035 117.9084 55.6566 41.7397 176.8333 12 G 4.2789 7.6235 109.0600 44.0695 0.0000 171.6822 13 P 4.4869 0.0000 0.0000 63.0573 32.0610 176.0400 14 V 4.1658 7.5436 120.7721 63.1228 31.9923 174.9665 15 Q 5.0592 8.0646 124.8946 55.5402 32.3817 173.5386 16 G 4.4410 7.8626 106.0618 46.6827 0.0000 171.7529 17 I 5.0573 7.8357 120.0049 59.3031 40.5159 174.8713 18 I 4.5247 8.7359 127.7139 59.5125 40.0683 174.5143 19 N 4.8211 8.5569 125.1137 51.7039 40.6738 174.1846 20 F 5.3435 8.7863 119.7709 55.9184 43.5512 173.7371 21 E 5.2148 9.5759 122.5225 55.1024 33.5328 173.7543 22 Q 4.8527 9.3538 127.9327 54.5020 30.5959 174.7238 23 K 4.2211 8.9635 127.0714 58.0965 32.9113 177.6543 24 E 4.7513 7.8553 117.6015 53.8535 32.3486 175.4554 25 S 4.2893 8.6440 118.8138 60.3439 63.2671 174.6500 26 N 4.2176 8.9620 119.7540 53.6510 36.3688 174.5327 27 G 3.9765 8.1219 108.1059 43.7956 0.0000 171.6899 28 P 4.6096 0.0000 0.0000 62.5582 32.2858 176.4494 29 V 4.5936 8.8370 123.5679 61.4170 33.5875 174.6031 30 K 5.0441 9.3629 128.2017 55.3974 34.1531 175.7620 31 V 4.8347 9.2361 125.0269 60.8135 34.1440 174.2577 32 W 5.6033 8.7495 124.2069 54.7338 32.0041 175.6537 33 G 3.9150 7.4782 105.9339 46.0146 0.0000 170.8834 34 S 5.0960 7.7234 113.2320 56.8053 66.4940 174.2135 35 I 4.9690 8.8123 126.3427 59.3401 40.7919 174.6559 36 K 4.7846 9.2053 125.0408 55.5945 36.3549 176.8964 37 G 3.7096 8.8481 105.9655 45.7698 0.0000 173.4969 38 L 4.4490 7.5752 119.8504 53.0876 43.0289 176.3451 39 T 4.2804 8.1557 111.2357 60.9372 69.5738 174.1116 40 E 4.0110 8.7596 124.7405 57.5915 30.1711 175.0917 41 G 3.7388 8.4829 111.0048 43.8678 0.0000 172.2681 42 L 4.7873 8.1930 118.9174 54.8106 42.8011 176.6528 43 H 5.0104 9.0617 119.2471 53.6645 33.0593 173.2301 44 G 4.0486 9.2025 111.0980 46.9404 0.0000 172.1918 45 F 5.6111 9.1521 125.1691 56.7206 42.1753 173.1913 46 H 5.3775 8.9103 122.8487 53.9699 33.5028 172.8326 47 V 4.4057 8.6909 122.3658 62.5788 32.7659 174.8649 48 H 5.1816 9.2705 125.1396 54.1121 31.1165 175.5858 49 E 3.6365 8.9099 122.3877 58.9401 29.7960 177.0672 50 F 4.9408 8.0391 118.1746 54.8921 41.4681 176.9493 51 G 4.3752 8.2865 112.6651 44.1938 0.0000 174.4128 52 D 4.7475 7.8445 117.0292 52.7447 42.7413 174.1633 53 N 5.2304 8.7786 124.6039 52.6600 39.3009 175.7071 54 T 3.9512 8.4618 109.7851 63.3161 69.1559 174.3604 55 A 4.6966 8.0523 125.1205 51.2105 19.6283 176.0166 56 G 3.9798 7.9347 111.8649 46.9659 0.0000 175.6074 57 C 4.3908 8.5886 115.2738 59.7627 39.6110 175.7080 58 T 3.8065 7.5319 117.8294 66.1207 67.7732 175.6610 59 S 4.5734 7.8823 112.8980 58.9716 63.8566 175.3209 60 A 4.4734 7.3951 126.6894 54.5204 18.2818 178.7025 61 G 4.2603 7.9739 104.4970 44.4283 0.0000 171.5864 62 P 4.5850 0.0000 0.0000 61.6105 32.6035 174.6380 63 H 3.6746 8.5842 117.2723 56.3205 30.0450 174.1204 64 F 4.3874 9.0774 129.7227 58.3548 39.5982 173.9797 65 N 4.2230 7.7806 123.0170 52.0319 39.6324 171.7840 66 P 4.0811 0.0000 0.0000 64.2944 31.9020 176.9959 *79 R 4.0789 7.6585 113.3385 55.5309 30.6148 175.6266 80 R 4.1713 8.0527 118.9762 55.8446 30.9710 177.7189 81 V 3.4406 8.1586 121.2524 66.1970 31.5456 177.7535 82 G 3.7495 8.3881 107.0768 46.4757 0.0000 172.4882 83 D 4.9652 7.9706 120.3854 54.3122 40.5373 175.2454 84 L 4.7505 8.6166 126.7129 54.3809 43.1154 178.7205 85 G 4.0453 8.8891 108.2393 46.5283 0.0000 173.6474 86 N 5.6293 8.6503 121.1528 51.4951 42.4857 173.6781 87 V 4.3601 8.6266 113.3282 59.9432 35.5451 175.1519 88 T 5.0080 8.1681 118.0407 61.8590 71.2566 173.0583 89 A 4.7828 8.8783 129.7178 50.9218 20.6928 177.2453 90 D 4.9324 8.8308 122.7259 51.9209 41.1841 177.2123 91 K 4.1912 8.4786 117.3133 59.4798 32.4440 177.2146 92 D 4.4983 8.2615 117.8122 54.3702 41.4139 177.0170 93 G 4.1592 8.7422 108.8638 44.4262 0.0000 172.4427 94 V 4.7230 8.2739 120.0970 60.8359 33.6557 174.3842 95 A 5.3381 9.0693 130.1917 49.5441 20.8868 175.0047 96 D 4.7530 8.6462 122.8292 54.2892 42.1063 176.2915 97 V 4.2662 8.7652 124.3306 61.1470 33.9718 174.7683 98 S 4.9808 8.5104 122.8425 57.7168 64.1135 172.8024 99 I 4.8440 9.3422 128.2565 59.3291 41.5443 174.1497 100 E 5.2103 8.8608 125.2124 54.5154 32.2122 174.4702 101 D 4.8707 9.1688 125.6628 52.9019 44.4846 175.7197 102 S 4.6733 9.0357 120.3669 58.6503 63.7311 174.7240 103 V 4.0973 7.9772 120.4096 64.4035 32.2327 176.4088 104 I 4.0758 8.0773 111.8345 61.0069 38.2637 174.6364 105 S 4.6895 8.5287 114.3281 57.3623 65.5436 174.0237 106 L 4.5270 8.5821 122.0488 53.9821 41.5269 176.2934 107 S 4.4211 7.9912 112.5580 58.5729 66.2446 176.0243 108 G 3.8798 8.4164 108.5348 45.0954 0.0000 173.7211 109 D 4.4243 8.7891 117.4213 57.3833 41.2255 176.9003 110 H 5.0098 8.1127 114.2317 55.4494 29.0279 174.0139 111 C 4.5008 8.0380 121.4402 59.7747 31.8053 173.4210 112 I 3.9345 8.2022 118.8302 60.2574 37.9689 175.5080 113 I 3.7652 7.2437 123.0394 62.8476 37.5098 176.3821 114 G 3.8137 9.4200 113.4030 45.4057 0.0000 173.0469 115 R 4.7805 7.4642 119.2968 54.8692 33.7037 174.5713 116 T 4.9754 8.1012 115.6566 62.1051 71.3916 173.5785 117 L 4.7956 8.6394 128.4671 53.9058 44.0751 175.3198 118 V 5.0136 8.7876 125.8929 60.9675 35.2156 174.1555 119 V 5.0785 8.5380 126.8841 60.5099 33.4365 175.0424 120 H 5.1129 9.1304 122.8082 54.5999 29.9181 175.2374 121 E 4.1940 9.2822 122.1654 58.9487 29.9912 176.8876 122 K 4.7353 8.2831 117.4427 53.8560 35.8612 175.8017 123 A 4.3891 8.3597 124.3114 52.1845 18.8805 176.7254 124 D 4.6300 9.1669 123.0400 53.4738 41.8616 176.1320 125 D 4.5313 8.7877 124.9313 53.2881 39.8213 176.5857 126 L 3.6288 9.4556 118.7324 55.8726 39.7764 175.3288 127 G 3.9582 8.8697 104.5795 45.9274 0.0000 174.8076 128 K 4.6363 8.2269 118.0282 55.6806 32.5705 177.0182 129 G 3.7762 8.2211 105.7588 45.6740 0.0000 174.8624 130 G 3.9929 9.7675 107.9831 45.3290 0.0000 172.7837 131 N 4.8489 7.7376 115.2053 54.8186 45.2254 176.1560 *140 A 4.1227 7.8729 119.9018 51.7166 20.3200 177.6299 141 G 4.0901 8.2962 110.2559 47.2659 0.0000 173.9400 142 S 4.3987 8.2778 113.7076 58.6624 64.7190 173.8717 143 R 4.5199 8.3024 119.4941 54.9654 30.1807 176.6064 144 L 4.2902 8.8700 125.8709 57.5526 43.0175 177.2435 145 A 5.0495 7.7572 117.5456 51.4549 22.7088 174.0980 146 C 5.5381 8.4452 113.8707 55.8297 46.9835 172.6688 147 G 4.6077 8.0466 103.6128 46.1102 0.0000 172.7126 148 V 4.3505 8.2968 121.3595 62.3760 32.7775 175.5005 149 I 4.1855 8.8066 129.4633 60.9178 38.1550 175.3232 150 G 4.4408 8.9015 113.9334 43.8119 0.0000 171.9695 151 I 4.2927 8.3322 121.1612 61.1559 37.5790 175.5796 152 A 4.8320 8.4770 127.8293 49.6684 22.1558 176.0633 153 Q 4.0704 8.5479 119.0228 56.4243 29.2116 176.0439 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 A 8.25 4.37 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 2 T 8.32 4.65 4.43 0.00 0.00 0.00 0.00 0.00 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 3 K 8.31 5.32 0.00 1.87 1.73 0.00 1.70 0.00 0.00 1.91 0.00 0.00 3.05 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.57 1.52 7.81 4 A 9.21 5.35 1.14 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 0.00 0.00 5 V 8.74 5.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.91 0.00 0.00 6 C 9.10 4.92 0.00 3.12 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 7 V 8.44 4.64 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 8.87 4.71 0.00 1.63 1.58 1.04 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.94 4.95 0.00 1.67 1.63 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 7.94 4.70 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 0.00 0.00 0.00 11 D 8.80 4.53 0.00 2.68 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 12 G 7.62 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 0.00 0.00 0.00 0.00 13 P 0.00 4.49 0.00 2.18 2.16 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 14 V 7.54 4.17 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 0.83 0.00 0.00 0.92 0.00 0.00 15 Q 8.06 5.06 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.49 0.00 0.00 0.00 0.00 0.00 2.44 2.15 0.00 16 G 7.86 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.84 5.06 1.82 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 1.32 1.44 0.82 0.00 0.00 18 I 8.74 4.52 1.82 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 1.25 1.17 0.48 0.00 0.00 19 N 8.56 4.82 0.00 1.44 1.42 0.00 0.00 6.34 6.48 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 20 F 8.79 5.34 0.00 2.81 2.90 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 21 E 9.58 5.21 0.00 2.48 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 0.00 2.33 2.56 0.00 22 Q 9.35 4.85 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 23 K 8.96 4.22 0.00 1.81 1.87 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 24 E 7.86 4.75 0.00 2.04 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 2.29 2.35 0.00 25 S 8.64 4.29 0.00 3.86 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 26 N 8.96 4.22 0.00 2.89 2.96 0.00 0.00 7.00 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.12 3.98 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 0.00 0.00 0.00 28 P 0.00 4.61 0.00 1.99 2.04 0.00 3.69 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 2.05 2.11 0.00 29 V 8.84 4.59 2.24 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 1.29 0.00 0.00 1.10 0.00 0.00 30 K 9.36 5.04 0.00 1.85 1.83 0.00 1.61 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.43 7.81 31 V 9.24 4.83 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 0.60 0.00 0.00 1.08 0.00 0.00 32 W 8.75 5.60 0.00 3.48 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 33 G 7.48 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 34 S 7.72 5.10 0.00 3.85 3.62 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 35 I 8.81 4.97 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.65 0.91 0.00 0.00 36 K 9.21 4.78 0.00 1.71 1.87 0.00 1.34 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.33 7.81 37 G 8.85 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 0.00 0.00 0.00 38 L 7.58 4.45 0.00 1.84 1.46 0.80 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.16 4.28 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 1.24 0.00 0.00 40 E 8.76 4.01 0.00 1.95 1.94 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 2.30 2.34 0.00 41 G 8.48 3.74 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 0.00 0.00 0.00 42 L 8.19 4.79 0.00 1.51 1.59 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.06 5.01 0.00 3.01 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.20 4.05 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 0.00 45 F 9.15 5.61 0.00 2.98 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 46 H 8.91 5.38 0.00 3.14 2.84 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.69 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 0.91 0.00 0.00 0.87 0.00 0.00 48 H 9.27 5.18 0.00 3.00 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.91 3.64 0.00 1.67 1.12 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 1.47 1.99 0.00 50 F 8.04 4.94 0.00 3.05 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 51 G 8.29 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 52 D 7.84 4.75 0.00 2.63 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 53 N 8.78 5.23 0.00 2.69 2.74 0.00 0.00 7.37 7.70 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 54 T 8.46 3.95 4.23 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 1.22 0.00 0.00 55 A 8.05 4.70 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 56 G 7.93 3.98 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 0.00 0.00 0.00 57 C 8.59 4.39 0.00 2.95 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 58 T 7.53 3.81 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 1.23 0.00 0.00 59 S 7.88 4.57 0.00 4.12 3.98 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 60 A 7.40 4.47 1.40 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 0.00 0.00 61 G 7.97 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.58 0.00 2.23 2.23 0.00 3.70 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 2.04 1.96 0.00 63 H 8.58 3.67 0.00 3.00 3.20 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.08 4.39 0.00 2.77 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 65 N 7.78 4.22 0.00 2.48 2.50 0.00 0.00 7.19 7.69 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 66 P 0.00 4.08 0.00 1.97 2.06 0.00 3.12 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 *79 R 7.66 4.08 0.00 1.94 1.97 0.00 3.05 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 80 R 8.05 4.17 0.00 1.77 1.95 0.00 2.74 0.00 0.00 2.69 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 81 V 8.16 3.44 1.47 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 0.59 0.00 0.00 0.47 0.00 0.00 82 G 8.39 3.75 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 0.00 0.00 0.00 83 D 7.97 4.97 0.00 2.77 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 84 L 8.62 4.75 0.00 1.99 1.86 0.87 1.03 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 85 G 8.89 4.05 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 0.00 86 N 8.65 5.63 0.00 2.59 2.71 0.00 0.00 6.59 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 87 V 8.63 4.36 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 -0.21 0.00 0.00 0.75 0.00 0.00 88 T 8.17 5.01 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 89 A 8.88 4.78 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.83 4.93 0.00 2.88 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 91 K 8.48 4.19 0.00 1.88 1.99 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 8.26 4.50 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 93 G 8.74 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 94 V 8.27 4.72 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 0.99 0.00 0.00 0.92 0.00 0.00 95 A 9.07 5.34 1.11 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 0.00 0.00 96 D 8.65 4.75 0.00 2.56 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 97 V 8.77 4.27 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 0.87 0.00 0.00 0.63 0.00 0.00 98 S 8.51 4.98 0.00 3.91 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 99 I 9.34 4.84 1.99 0.00 0.00 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 1.18 0.57 1.01 0.00 0.00 100 E 8.86 5.21 0.00 1.97 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 2.22 2.31 0.00 101 D 9.17 4.87 0.00 2.81 2.54 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 0.00 0.00 0.00 0.00 102 S 9.04 4.67 0.00 3.92 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 0.00 103 V 7.98 4.10 2.23 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 0.82 0.00 0.00 0.96 0.00 0.00 104 I 8.08 4.08 1.94 0.00 0.00 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 1.53 0.81 1.04 0.00 0.00 105 S 8.53 4.69 0.00 3.89 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 0.00 106 L 8.58 4.53 0.00 1.80 1.62 0.99 0.54 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 0.00 107 S 7.99 4.42 0.00 3.87 3.80 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 0.00 108 G 8.42 3.88 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 0.00 0.00 0.00 109 D 8.79 4.42 0.00 2.67 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 0.00 110 H 8.11 5.01 0.00 3.23 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.04 4.50 0.00 3.12 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.20 3.93 1.58 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 1.28 0.25 0.88 0.00 0.00 113 I 7.24 3.77 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.37 0.83 0.00 0.00 114 G 9.42 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 R 7.46 4.78 0.00 1.52 1.79 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.31 0.00 116 T 8.10 4.98 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 117 L 8.64 4.80 0.00 1.75 1.51 0.33 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.79 5.01 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 0.71 0.00 0.00 0.76 0.00 0.00 119 V 8.54 5.08 2.30 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 0.82 0.00 0.00 0.96 0.00 0.00 120 H 9.13 5.11 0.00 3.20 3.59 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.28 4.19 0.00 2.10 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 0.00 2.36 2.34 0.00 122 K 8.28 4.74 0.00 1.73 1.69 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.38 7.81 123 A 8.36 4.39 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 0.00 124 D 9.17 4.63 0.00 2.71 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 0.00 125 D 8.79 4.53 0.00 2.95 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 0.00 126 L 9.46 3.63 0.00 1.79 1.79 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.87 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 0.00 128 K 8.23 4.64 0.00 1.67 1.76 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.49 7.81 129 G 8.22 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 0.00 130 G 9.77 3.99 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 0.00 0.00 0.00 131 N 7.74 4.85 0.00 2.64 2.76 0.00 0.00 7.01 7.96 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 *140 A 7.87 4.12 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 0.00 141 G 8.30 4.09 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 0.00 142 S 8.28 4.40 0.00 3.97 4.05 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 0.00 143 R 8.30 4.52 0.00 1.67 1.84 0.00 3.17 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.64 0.00 144 L 8.87 4.29 0.00 1.72 1.70 0.97 0.66 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 0.00 145 A 7.76 5.05 1.19 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 0.00 0.00 146 C 8.45 5.54 0.00 3.02 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 0.00 147 G 8.05 4.61 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 0.00 148 V 8.30 4.35 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.94 0.00 0.00 149 I 8.81 4.19 1.79 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.31 0.45 0.00 0.00 150 G 8.90 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.33 4.29 1.86 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 1.25 0.54 0.91 0.00 0.00 152 A 8.48 4.83 1.16 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 0.00 153 Q 8.55 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.