NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3675 8.2649 123.5812 51.9733 19.9499 175.9478 2 E 4.6128 8.4988 118.4727 54.5696 32.9905 175.0257 3 C 5.4332 8.3296 119.7049 56.2975 43.2425 173.0958 4 S 4.0781 7.7813 111.3666 56.8029 65.8850 173.2905 5 V 4.4207 7.9965 119.3527 60.2506 34.8602 173.5381 6 D 5.1585 8.5183 122.6780 52.9710 42.5710 175.6454 7 I 4.8149 8.6647 122.3873 59.3541 42.0708 173.7238 8 Q 5.2354 9.5519 126.3434 54.0693 32.6556 174.5148 9 G 4.3895 9.1790 110.1546 44.5609 0.0000 172.3450 10 N 5.6218 8.3014 122.7437 50.4007 40.3114 175.0331 11 D 4.5030 8.8517 117.0495 56.9207 41.0869 177.1295 12 Q 4.3048 8.0585 117.2784 55.3265 28.7779 175.1892 13 M 3.0159 7.6258 116.1020 57.0053 31.0698 176.6881 14 Q 4.5786 7.7104 115.1766 53.8998 32.5653 175.6630 15 F 5.8095 8.8713 120.1589 56.7729 40.0247 174.8568 16 N 4.9652 8.8300 119.3993 52.7677 37.4493 174.5193 17 T 4.7447 7.7530 111.1239 61.6480 70.3983 172.5068 18 N 5.3911 8.8479 121.7611 52.3211 39.1842 173.3631 19 A 5.0613 8.4502 120.8614 51.8072 22.4606 176.3153 20 I 4.5377 9.3213 124.4627 59.9863 40.1450 174.9267 21 T 5.0006 8.5420 122.6811 61.7274 70.9988 173.7104 22 V 3.9541 8.5633 126.5555 60.4976 33.8571 174.4389 23 D 4.5971 8.9221 130.5312 54.9203 41.3318 177.6929 24 K 4.0114 8.9538 129.3018 57.2160 31.7754 174.4599 25 S 4.4600 8.6528 111.9569 60.2854 63.1651 174.1110 26 C 4.3920 8.0663 119.6259 56.9880 38.9976 173.7350 27 K 4.2293 8.7622 126.1036 58.9242 32.9210 176.2431 28 Q 4.9366 7.8032 114.8298 54.4201 32.1633 174.1624 29 F 4.8140 8.5536 121.5235 56.6279 43.3581 173.4466 30 T 4.7067 7.0842 120.5908 61.5282 72.0908 172.8301 31 V 4.1185 8.2992 126.3335 61.0812 33.7643 174.1113 32 N 4.9368 8.7198 126.5543 51.5940 39.8062 173.2524 33 L 4.9593 8.7892 127.5297 54.1071 44.1201 175.6017 34 S 5.1523 9.0011 119.3678 57.5866 67.5284 172.7823 35 H 6.0722 8.4603 117.5188 53.2163 30.4623 170.6540 36 P 4.5553 0.0000 0.0000 62.8127 32.8999 175.0364 37 G 4.0749 9.0012 105.1955 44.5019 0.0000 172.8742 38 N 4.9634 9.4717 114.2681 52.4410 40.9739 174.6791 39 L 4.2647 8.3659 120.0967 53.3002 42.5765 175.1315 40 P 4.8157 0.0000 0.0000 61.6320 32.4583 176.9030 41 K 3.8290 8.6862 120.0909 59.5989 31.8803 176.9960 42 N 4.7204 8.0925 112.6887 53.3090 37.9891 174.9085 43 V 4.1808 7.7276 117.2540 64.5056 33.8101 175.5635 44 M 4.8148 8.2139 116.2320 53.9405 31.9862 174.6165 45 G 4.1164 7.8205 106.7816 46.1559 0.0000 172.6984 46 H 5.4279 9.2449 119.6998 53.8376 32.7891 172.4917 47 N 5.4433 8.7731 117.7439 50.9812 41.6234 172.0460 48 W 5.4232 9.1347 127.5836 55.9408 33.9385 174.4371 49 V 4.5047 7.8822 126.3766 60.6932 34.7615 173.6323 50 L 4.8013 8.2311 128.8061 53.1116 44.9165 175.2702 51 S 5.1046 8.8135 119.5423 56.7301 67.4100 173.4798 52 T 4.2919 8.6908 109.5609 61.4876 69.2811 174.9330 53 A 3.9401 8.9480 125.2832 55.5905 18.1099 180.2215 54 A 3.9387 7.8910 117.3150 55.1075 18.7067 178.7165 55 D 4.5092 7.8550 115.7091 55.6993 41.0808 178.3166 56 M 3.6722 7.6465 119.4062 58.6927 32.0636 177.7812 57 Q 3.8518 7.9324 119.0040 59.1316 29.1668 178.4285 58 G 3.5069 7.8855 106.2036 47.6242 0.0000 175.6259 59 V 3.6040 7.9193 120.9804 65.7009 31.5887 178.2600 60 V 3.5410 7.7510 117.9807 66.3316 31.3777 178.1677 61 T 3.8221 7.9789 115.4617 66.8506 68.1182 176.6053 62 D 4.4897 8.1868 119.7776 57.0815 41.0965 178.8733 63 G 4.0353 8.3605 107.9471 47.7131 0.0000 175.5620 64 M 4.2911 8.5977 122.1994 58.0198 31.8147 178.8500 65 A 4.1391 7.8677 119.3344 54.9220 18.6553 179.3562 66 S 4.2834 8.2584 113.6073 58.7297 63.1219 175.4900 67 G 3.9492 7.8473 107.1857 44.5405 0.0000 174.2447 68 L 2.7033 7.7770 119.7846 57.4148 42.1583 178.4629 69 D 4.2762 7.9505 116.7814 55.9453 39.2970 177.2594 70 K 4.2944 7.9284 117.5425 55.7517 31.9085 176.4008 71 D 4.4807 8.4740 117.1427 54.7203 40.1402 173.3439 72 Y 3.7163 7.4873 112.0117 58.5467 35.6107 170.1640 73 L 4.8964 7.6515 116.2701 52.2947 46.0096 176.9305 74 K 4.1510 8.5328 123.0922 55.2260 32.5309 174.4383 75 P 4.4463 0.0000 0.0000 64.1973 31.7266 175.4978 76 D 4.3703 8.9013 119.9217 55.0032 38.7314 173.0740 77 D 4.3630 7.8768 119.2516 54.4823 41.0639 177.3878 78 S 4.3013 8.6571 121.9956 60.7792 63.2302 175.4697 79 R 4.0259 8.2435 119.2549 57.4766 30.1267 176.4750 80 V 4.1689 7.4263 118.3298 61.5115 31.2913 175.4560 81 I 3.9734 8.6697 130.0838 64.3288 37.5001 176.6158 82 A 4.7397 7.6394 120.2516 51.6426 22.1966 174.9401 83 H 5.4756 8.5813 114.0934 54.9706 31.4477 173.2835 84 T 4.6762 8.7654 111.6680 60.3585 70.8766 173.9410 85 K 4.7177 9.3104 122.1401 55.6097 34.0141 176.2341 86 L 4.7679 8.1202 123.1268 54.6971 42.7944 175.8959 87 I 4.8233 9.1697 119.4057 59.3170 41.2942 175.3129 88 G 4.4876 9.3528 112.4431 44.2490 0.0000 172.8313 89 S 4.3159 8.0957 114.8062 59.7889 62.9827 175.3401 90 G 3.9092 8.8954 111.3350 45.6965 0.0000 173.1998 91 E 4.6015 7.7129 119.0425 55.0774 31.3563 174.8335 92 K 4.9079 8.0109 117.7251 56.4444 35.6316 174.5695 93 D 4.7794 8.9738 119.2235 53.4550 44.9869 174.0932 94 S 5.3818 8.6241 119.0049 56.6764 66.7248 173.7487 95 V 4.5682 8.5653 121.0190 60.3684 34.6794 174.3527 96 T 5.1042 8.6174 119.5284 61.8374 71.1746 173.3218 97 F 5.1159 8.3829 118.9371 55.0744 42.3522 173.5629 98 D 4.7228 8.8409 120.2359 54.0913 41.2609 177.9927 99 V 3.8723 8.5116 124.7602 65.2424 31.7483 177.8724 100 S 4.2680 8.0170 113.0175 60.5331 63.0369 175.3612 101 K 4.1552 8.0565 120.1278 58.0807 32.0177 176.7440 102 L 4.5004 7.7665 119.7146 53.1442 42.1320 174.9256 103 K 4.3487 8.8809 121.7730 57.3406 35.3040 175.6662 *106 E 3.8947 7.7655 121.7982 56.1859 31.1639 175.0631 107 Q 4.5038 7.8626 122.0884 54.3818 31.2475 174.1165 108 Y 5.3080 8.3818 120.3480 56.4637 41.9477 174.4164 109 M 5.3935 9.1965 121.6716 53.5410 36.1021 174.6892 110 F 5.3386 8.6455 117.0939 54.6459 41.1933 174.2459 111 F 5.2263 6.9541 112.3906 56.4046 41.1231 172.0049 112 C 5.2497 9.3774 121.4007 57.9586 30.7091 174.4484 113 S 4.3725 9.7465 122.5208 60.9777 62.8423 174.9791 114 P 4.0623 0.0000 0.0000 64.6134 31.1866 176.5017 115 H 4.8470 7.4486 112.2110 55.2380 29.5345 175.5798 116 Q 4.1698 8.0745 123.8053 59.1707 28.8871 178.8263 117 G 3.5709 7.9898 104.8621 47.3819 0.0000 173.6873 118 A 4.4207 7.5280 121.6028 51.8893 19.0120 177.4438 119 G 4.0688 7.6779 104.3384 46.1917 0.0000 175.5022 120 M 4.5443 7.8521 121.0238 53.1645 30.7988 174.9751 121 K 4.5952 7.8504 119.2320 56.4809 35.7589 174.8724 122 G 3.7634 7.1212 107.1865 46.2868 0.0000 172.2784 123 T 5.0945 8.1452 109.7953 60.4392 71.2184 173.7051 124 L 5.4784 8.6991 124.6177 53.8508 45.1440 175.8298 125 T 4.7513 8.8663 121.8242 61.7437 72.7577 172.7577 126 L 4.7013 8.7921 128.8418 54.2238 42.8595 176.2130 127 K 4.2524 9.1456 128.1124 56.5363 32.3023 176.1553 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 8.26 4.37 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 2 E 8.50 4.61 0.00 2.02 1.79 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 2.19 2.34 0.00 3 C 8.33 5.43 0.00 2.71 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 4 S 7.78 4.08 0.00 3.48 3.36 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 5 V 8.00 4.42 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 0.70 0.00 0.00 0.86 0.00 0.00 6 D 8.52 5.16 0.00 2.50 2.55 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 0.00 0.00 0.00 0.00 7 I 8.66 4.81 1.57 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.55 0.62 0.00 0.00 8 Q 9.55 5.24 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 9 G 9.18 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 10 N 8.30 5.62 0.00 2.89 3.00 0.00 0.00 6.87 8.18 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 11 D 8.85 4.50 0.00 2.72 2.79 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 12 Q 8.06 4.30 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 13 M 7.63 3.02 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.35 0.00 14 Q 7.71 4.58 0.00 2.23 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.82 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 15 F 8.87 5.81 0.00 3.25 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 16 N 8.83 4.97 0.00 2.89 2.97 0.00 0.00 5.79 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 17 T 7.75 4.74 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 18 N 8.85 5.39 0.00 2.90 3.07 0.00 0.00 5.70 7.84 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 19 A 8.45 5.06 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 20 I 9.32 4.54 1.92 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.58 0.87 0.00 0.00 21 T 8.54 5.00 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 1.21 0.00 0.00 22 V 8.56 3.95 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 0.63 0.00 0.00 -0.03 0.00 0.00 23 D 8.92 4.60 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.95 4.01 0.00 1.77 1.72 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.29 7.81 25 S 8.65 4.46 0.00 3.82 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 26 C 8.07 4.39 0.00 3.04 3.25 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 27 K 8.76 4.23 0.00 1.83 1.77 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.43 7.81 28 Q 7.80 4.94 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.50 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 29 F 8.55 4.81 0.00 2.72 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 0.00 0.00 0.00 30 T 7.08 4.71 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 1.08 0.00 0.00 31 V 8.30 4.12 1.20 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 -0.31 0.00 0.00 -0.07 0.00 0.00 32 N 8.72 4.94 0.00 2.66 2.64 0.00 0.00 6.17 7.18 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 33 L 8.79 4.96 0.00 1.75 1.72 1.22 0.85 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 34 S 9.00 5.15 0.00 3.91 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 H 8.46 6.07 0.00 3.26 3.29 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.56 0.00 2.17 2.01 0.00 3.84 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.15 0.00 37 G 9.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 9.47 4.96 0.00 2.63 2.80 0.00 0.00 6.95 8.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.37 4.26 0.00 1.84 1.59 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.82 0.00 2.22 2.18 0.00 3.72 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 2.19 1.95 0.00 41 K 8.69 3.83 0.00 1.76 1.92 0.00 1.92 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.51 7.81 42 N 8.09 4.72 0.00 2.90 2.93 0.00 0.00 5.76 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 43 V 7.73 4.18 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 0.83 0.00 0.00 0.95 0.00 0.00 44 M 8.21 4.81 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 45 G 7.82 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 0.00 0.00 0.00 46 H 9.24 5.43 0.00 3.17 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.77 5.44 0.00 2.97 3.24 0.00 0.00 5.54 8.88 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 48 W 9.13 5.42 0.00 3.50 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 49 V 7.88 4.50 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 0.62 0.00 0.00 0.94 0.00 0.00 50 L 8.23 4.80 0.00 1.01 1.05 0.86 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.81 5.10 0.00 4.08 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 0.00 52 T 8.69 4.29 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 1.24 0.00 0.00 53 A 8.95 3.94 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 54 A 7.89 3.94 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 55 D 7.86 4.51 0.00 2.85 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 56 M 7.65 3.67 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 2.02 0.00 57 Q 7.93 3.85 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 58 G 7.89 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.92 3.60 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 1.03 0.00 0.00 60 V 7.75 3.54 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 0.84 0.00 0.00 0.41 0.00 0.00 61 T 7.98 3.82 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 1.19 0.00 0.00 62 D 8.19 4.49 0.00 2.72 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 63 G 8.36 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 M 8.60 4.29 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.41 0.00 65 A 7.87 4.14 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 66 S 8.26 4.28 0.00 4.07 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 67 G 7.85 3.95 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 0.00 0.00 0.00 68 L 7.78 2.70 0.00 1.42 1.48 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.95 4.28 0.00 2.77 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 70 K 7.93 4.29 0.00 1.93 1.92 0.00 1.78 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.47 7.81 71 D 8.47 4.48 0.00 2.93 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 72 Y 7.49 3.72 0.00 3.22 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 73 L 7.65 4.90 0.00 1.57 1.48 0.82 0.84 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 74 K 8.53 4.15 0.00 1.80 1.85 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.44 7.81 75 P 0.00 4.45 0.00 2.08 1.98 0.00 3.89 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 2.03 2.11 0.00 76 D 8.90 4.37 0.00 2.82 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 77 D 7.88 4.36 0.00 2.94 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.66 4.30 0.00 4.03 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 79 R 8.24 4.03 0.00 1.99 2.06 0.00 3.16 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.58 0.00 80 V 7.43 4.17 2.22 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 0.81 0.00 0.00 0.96 0.00 0.00 81 I 8.67 3.97 1.72 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 1.12 0.63 0.60 0.00 0.00 82 A 7.64 4.74 1.21 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 0.00 0.00 0.00 83 H 8.58 5.48 0.00 3.17 3.25 0.00 5.72 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.77 4.68 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 85 K 9.31 4.72 0.00 1.79 1.94 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.68 1.29 7.81 86 L 8.12 4.77 0.00 2.04 1.68 1.16 1.06 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 87 I 9.17 4.82 1.95 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 1.42 0.91 1.04 0.00 0.00 88 G 9.35 4.49 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 89 S 8.10 4.32 0.00 4.08 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 0.00 90 G 8.90 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 91 E 7.71 4.60 0.00 2.13 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 2.28 2.40 0.00 92 K 8.01 4.91 0.00 1.83 1.74 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.44 7.81 93 D 8.97 4.78 0.00 2.84 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 94 S 8.62 5.38 0.00 3.67 3.63 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 95 V 8.57 4.57 2.25 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 0.88 0.00 0.00 1.08 0.00 0.00 96 T 8.62 5.10 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 1.12 0.00 0.00 97 F 8.38 5.12 0.00 3.07 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 98 D 8.84 4.72 0.00 2.82 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.51 3.87 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.84 0.00 0.00 100 S 8.02 4.27 0.00 4.05 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 0.00 101 K 8.06 4.16 0.00 1.97 1.91 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.56 7.81 102 L 7.77 4.50 0.00 1.71 1.51 0.91 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.88 4.35 0.00 1.73 1.70 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.60 7.81 *106 E 7.77 3.89 0.00 1.82 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 1.76 1.48 0.00 107 Q 7.86 4.50 0.00 1.84 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.60 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 108 Y 8.38 5.31 0.00 3.16 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 0.00 109 M 9.20 5.39 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 110 F 8.65 5.34 0.00 1.93 2.79 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 0.00 111 F 6.95 5.23 0.00 3.12 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 C 9.38 5.25 0.00 3.12 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 9.75 4.37 0.00 4.17 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 0.00 114 P 0.00 4.06 0.00 1.46 0.97 0.00 3.78 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 1.74 1.85 0.00 115 H 7.45 4.85 0.00 3.10 3.21 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 0.00 116 Q 8.07 4.17 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.01 0.00 117 G 7.99 3.57 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 0.00 0.00 0.00 118 A 7.53 4.42 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 0.00 119 G 7.68 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 M 7.85 4.54 0.00 1.26 1.99 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.22 0.00 121 K 7.85 4.60 0.00 1.68 1.76 0.00 1.52 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.30 7.81 122 G 7.12 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 0.00 0.00 0.00 123 T 8.15 5.09 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 124 L 8.70 5.48 0.00 1.98 1.74 1.20 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.87 4.75 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 126 L 8.79 4.70 0.00 1.70 1.65 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 127 K 9.15 4.25 0.00 1.83 1.63 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.