NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3266 8.1749 110.9400 60.4296 70.1212 173.5997 3 P 4.2035 0.0000 0.0000 61.3783 31.9123 174.1494 4 T 4.7282 8.3825 110.6830 59.6310 72.5853 172.6892 5 L 4.7162 8.3013 123.4255 53.3116 44.9159 175.2121 6 E 4.9346 8.6942 125.0029 54.9301 32.1325 174.9591 7 T 5.2049 8.3564 112.2609 60.0317 72.9123 172.8940 8 K 4.6301 8.9666 122.8366 54.7577 35.6788 174.6731 9 Y 4.3355 8.9062 129.1097 58.0080 38.6612 174.9521 10 V 4.2320 7.4192 124.7443 64.0185 34.9006 174.7572 11 F 4.8664 6.1339 112.1012 56.5064 41.0367 172.7689 12 T 5.1698 9.5088 117.3299 62.0297 70.9390 174.1605 13 I 4.5623 9.0080 127.5716 61.1850 39.7909 175.6989 14 T 5.4905 8.6383 119.9469 63.0949 71.1477 171.1037 15 A 4.5551 8.1596 127.0453 50.3004 20.5515 176.5072 16 R 4.4137 8.7724 123.2229 56.8847 30.8361 176.7708 17 I 4.5867 8.3134 118.4975 59.8006 39.9781 175.2228 18 G 4.4465 7.7246 109.8666 44.5811 0.0000 172.8009 19 D 4.5565 8.6551 119.3585 54.3988 41.4481 176.0330 20 V 3.9777 8.1431 122.6730 62.7768 32.6846 175.0911 21 T 4.6463 8.7550 124.3245 61.7858 71.0610 172.9437 22 S 5.1753 8.8027 120.5912 56.6599 64.1886 173.2874 23 A 4.3992 9.2882 127.6777 51.8874 20.7575 177.2364 24 G 3.7364 7.5993 101.1444 44.0311 0.0000 171.7929 25 E 4.4942 8.4703 118.7963 56.7961 29.6872 176.8096 26 I 4.1694 8.5750 124.2939 60.8387 37.4970 176.0485 27 G 4.2822 8.2869 112.2814 45.5882 0.0000 174.7966 28 T 4.3386 8.9515 106.7043 60.1181 69.1584 173.5301 29 G 4.2331 6.6311 107.7719 43.6472 0.0000 172.6370 30 V 4.6622 8.2142 120.6385 61.1963 33.2199 174.5835 31 R 5.0109 8.5114 128.9399 55.7349 31.3396 175.2631 32 R 5.2031 8.9350 121.7560 54.6601 33.6821 173.8489 33 I 4.8085 9.1356 120.8860 59.7861 41.0119 174.9651 34 I 4.7582 8.7929 126.6939 58.3084 39.4185 173.1156 35 P 4.6435 0.0000 0.0000 62.9411 32.9502 175.1643 36 I 4.9251 8.2721 121.6254 59.6441 39.7347 175.3513 37 L 4.5540 9.5475 126.3741 54.6959 41.6006 177.2651 38 G 3.6431 8.1035 106.3105 45.5878 0.0000 170.4225 39 G 3.9927 8.0538 105.2133 44.1037 0.0000 171.9243 40 E 4.6205 8.5579 115.6466 54.3817 32.6504 175.4570 41 V 4.5249 7.7823 121.7804 61.7971 34.0885 174.6545 42 K 4.5830 7.7070 122.6739 54.6583 36.9520 176.2718 43 G 4.0342 8.0503 110.1023 46.2632 0.0000 170.6263 44 E 4.1731 7.7022 121.1666 56.4735 29.8745 177.6135 45 G 4.0494 9.0246 111.2332 46.0079 0.0000 173.6743 46 I 4.5602 7.4816 112.4134 58.6730 37.1245 174.0097 47 S 4.5688 7.9239 123.2616 58.0700 64.9211 172.6447 48 G 4.0852 7.9101 111.1013 46.2771 0.0000 171.4256 49 Q 5.0848 8.4816 118.5733 53.5995 31.5985 176.0797 50 V 4.2853 9.6023 125.3267 63.0286 32.1901 175.5286 51 L 4.3161 9.1773 128.6436 52.3791 42.8075 175.3093 52 P 4.4951 0.0000 0.0000 61.6639 31.0423 174.7953 53 F 4.7086 7.0007 111.4142 57.6308 41.0051 173.8400 54 G 4.0964 10.6631 107.2169 45.4860 0.0000 171.4394 55 A 4.5991 7.9411 116.8958 51.0639 23.3161 174.9705 56 D 4.7640 8.6042 120.1552 53.3178 42.5797 175.1357 57 F 5.2079 8.6993 125.2878 56.0828 40.5814 175.3321 58 Q 5.0633 9.7332 122.5774 54.0940 33.2311 174.4129 59 I 5.0148 8.3663 120.8045 59.6998 41.0311 174.7634 60 I 4.7783 8.6176 127.7598 59.4736 38.8423 176.0091 61 R 4.3793 8.9033 127.2326 55.1974 30.6476 176.0827 62 P 4.2497 0.0000 0.0000 65.9386 31.3213 177.2152 63 N 4.5611 7.9980 112.1052 53.2978 37.6195 175.4772 64 E 4.0902 8.7796 118.6479 55.9658 28.2111 174.4674 65 L 4.4939 8.0548 122.0547 55.3356 43.5271 175.6071 66 I 4.9460 8.7741 126.8224 59.5078 39.8306 174.2324 67 E 4.8910 8.9069 126.3790 55.1891 31.3060 175.2879 68 L 4.9550 8.9044 124.8052 53.3910 45.1020 175.9926 69 E 5.2714 9.0733 120.5920 55.2731 32.4284 172.6376 70 A 5.1615 9.1795 126.1560 50.4847 20.7252 175.9095 71 K 4.9897 8.9075 122.3545 55.1405 35.2938 175.0535 72 Y 5.2250 8.5321 123.1999 56.6220 41.6748 173.1120 73 A 5.2353 8.7929 118.8987 50.7980 23.0071 175.3512 74 F 5.3788 8.6589 114.8258 54.9240 42.0760 173.3023 75 E 5.0124 9.0571 120.3572 54.8494 32.6082 176.0406 76 T 4.9285 8.2191 117.3207 60.5543 71.4863 174.7740 77 D 4.4754 8.0783 119.8863 57.8547 40.9292 177.8733 78 D 4.4172 8.1746 117.6965 56.2542 40.8989 177.4677 79 G 4.0709 7.7081 104.9446 44.8566 0.0000 173.2289 80 A 4.1399 7.6855 120.8928 51.5269 19.6574 177.5364 81 V 4.3524 8.2322 121.7288 61.2547 33.2434 174.9233 82 V 4.0926 8.0770 129.4715 61.2874 33.0810 173.8802 83 Y 4.8935 8.7256 130.1613 56.8296 40.2763 174.0041 84 V 4.3227 8.2172 126.5772 60.7924 34.6079 173.8525 85 E 4.6892 8.2786 126.7531 54.5477 32.5562 174.5128 86 N 4.9825 9.5234 125.0291 51.8286 41.0958 172.7328 87 V 4.7494 7.9994 126.7578 61.7034 33.7903 175.1656 88 G 4.4597 8.4989 113.3114 45.9915 0.0000 171.6116 89 I 5.3633 8.5256 112.1902 59.0456 41.4507 174.5207 90 R 5.1710 9.0114 124.0266 54.7824 32.8459 174.0031 91 F 5.5796 10.0850 128.0120 56.2707 44.0243 173.0927 92 G 4.0113 6.6439 107.3867 45.0970 0.0000 170.3114 93 P 4.2751 0.0000 0.0000 62.4144 31.9567 177.7478 94 V 3.5369 8.2968 120.1887 65.9239 31.3002 178.1136 95 E 3.9409 8.1499 118.0955 59.5643 29.1550 179.1536 96 L 4.0099 7.3465 117.2589 57.7669 41.9790 179.3565 97 L 4.1313 7.7850 118.4979 57.8693 40.8655 179.5714 98 R 4.0396 8.1138 117.7313 58.7840 30.0566 179.1835 99 K 4.3020 7.9120 118.5117 59.1002 31.8208 179.0846 100 L 4.1549 7.6631 118.3201 56.5262 41.7646 178.7337 101 K 4.2399 7.8453 118.5385 59.2293 33.2129 178.7890 102 R 4.1034 7.2076 118.5074 57.1861 30.2852 176.8957 103 G 3.8692 7.8952 104.9576 46.1209 0.0000 173.0961 104 E 4.5348 7.5689 117.7625 53.0426 31.4530 174.6107 105 P 4.2438 0.0000 0.0000 63.2521 30.9441 175.5320 106 V 4.3266 7.9766 123.0632 60.3490 33.8891 174.6407 107 D 4.4688 8.5714 126.6676 53.6643 41.5513 175.1893 108 P 4.4788 0.0000 0.0000 64.9806 31.7028 178.6962 109 K 3.9951 7.5095 118.0911 58.7578 31.9733 178.0594 110 V 4.2365 7.7026 116.1624 61.3194 31.7085 175.5027 111 I 4.6627 7.3525 120.9422 59.8887 40.7314 174.4907 112 Y 4.3954 8.8319 128.0712 56.8873 39.8343 174.3575 113 F 5.7506 8.2517 129.7285 56.3601 41.6964 172.6513 114 R 5.0945 8.4082 123.9376 54.2765 33.7447 174.5266 115 T 5.0226 9.0180 111.6448 60.3212 73.2549 172.6544 116 R 4.6717 9.2930 121.4467 53.9151 31.9284 171.7704 117 P 4.5890 0.0000 0.0000 61.7531 32.9553 175.3223 118 R 4.3896 8.3866 122.7942 54.4907 32.8283 174.5027 119 F 5.4887 8.4054 122.0552 55.7654 42.8865 174.4345 120 E 4.8528 9.3215 120.8268 55.0433 33.1088 174.8037 121 T 4.8463 8.5562 113.8589 60.1084 71.6597 174.2764 122 G 3.7979 8.8102 111.1192 46.7867 0.0000 173.7663 123 H 4.1897 8.1363 121.3725 55.4834 30.1357 174.1367 124 P 4.3980 0.0000 0.0000 65.1739 31.4338 177.0912 125 N 4.4873 8.2702 115.6733 55.1564 39.0522 175.2655 126 Y 4.7952 7.7534 114.9279 57.7549 38.1978 177.5991 127 Q 4.1254 8.4011 121.9415 58.6589 27.5466 178.2206 128 W 4.6775 8.5815 114.5108 59.1180 28.3074 178.4486 129 L 3.9556 7.0535 118.6738 55.1316 39.8742 177.6784 *131 Q 4.4172 8.0851 115.7729 55.6477 30.5409 174.3849 132 Y 4.7959 7.9800 114.3720 56.0303 42.3122 174.4916 133 L 4.7449 8.3932 122.3203 54.3804 44.0565 175.2018 134 F 5.3854 8.8754 122.0515 55.6973 43.1363 174.2927 135 V 4.5594 9.1426 121.7180 61.1557 34.4860 174.4407 136 G 4.3250 8.9558 115.4478 44.2056 0.0000 172.2711 137 S 4.9528 8.8826 118.8469 56.3362 64.4971 172.8243 138 A 5.0283 8.9028 128.3088 49.2153 21.6673 174.6381 139 A 4.7249 7.8198 118.2729 50.8709 22.7896 175.1966 140 R 4.8884 8.7834 121.9376 55.1002 31.8956 174.8331 141 H 5.1398 8.4250 122.5911 53.8228 32.3244 173.2568 142 A 4.2157 8.6293 121.8581 54.4684 18.8822 177.9306 143 D 4.7526 8.0782 113.9612 54.4134 42.9800 175.3497 144 R 5.0053 7.5984 113.8075 54.3878 33.9519 174.3348 145 V 4.6362 8.1500 118.0447 61.4275 34.9534 173.7591 146 V 4.6336 8.1220 127.3988 61.5186 33.6901 174.5539 147 I 4.5181 9.0278 128.6927 59.4186 40.0114 174.5722 148 D 4.9836 8.7332 128.8508 53.8231 41.6602 175.8615 149 V 4.4450 8.6660 125.4968 61.9459 33.1871 174.3833 150 H 5.2473 9.0483 124.6393 53.9503 32.1324 172.6242 151 Q 4.0213 9.2643 125.0088 55.3596 30.3518 174.5644 152 V 4.2767 8.2324 127.0342 61.9672 32.7250 175.7301 153 L 4.5673 8.6875 127.1198 54.9040 41.4577 176.3179 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 2 T 8.17 4.33 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 3 P 0.00 4.20 0.00 2.15 2.05 0.00 3.62 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 2.04 2.14 0.00 4 T 8.38 4.73 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 5 L 8.30 4.72 0.00 1.56 1.55 0.94 0.91 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 6 E 8.69 4.93 0.00 1.92 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 2.31 2.23 0.00 7 T 8.36 5.20 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 1.22 0.00 0.00 8 K 8.97 4.63 0.00 1.77 1.59 0.00 1.56 0.00 0.00 1.48 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.37 7.81 9 Y 8.91 4.34 0.00 2.91 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 10 V 7.42 4.23 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 1.47 0.00 0.00 1.01 0.00 0.00 11 F 6.13 4.87 0.00 3.03 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 12 T 9.51 5.17 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 1.26 0.00 0.00 13 I 9.01 4.56 1.97 0.00 0.00 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 1.17 1.08 1.03 0.00 0.00 14 T 8.64 5.49 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 1.20 0.00 0.00 15 A 8.16 4.56 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.77 4.41 0.00 1.84 1.86 0.00 3.09 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 17 I 8.31 4.59 1.81 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 1.12 0.73 0.87 0.00 0.00 18 G 7.72 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.66 4.56 0.00 2.67 2.61 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 20 V 8.14 3.98 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 0.75 0.00 0.00 0.91 0.00 0.00 21 T 8.76 4.65 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 1.22 0.00 0.00 22 S 8.80 5.18 0.00 3.85 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 23 A 9.29 4.40 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 24 G 7.60 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 25 E 8.47 4.49 0.00 1.98 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 2.32 2.28 0.00 26 I 8.57 4.17 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 1.24 0.53 0.91 0.00 0.00 27 G 8.29 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 28 T 8.95 4.34 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 1.26 0.00 0.00 29 G 6.63 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 0.00 0.00 0.00 0.00 30 V 8.21 4.66 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 1.01 0.00 0.00 0.93 0.00 0.00 31 R 8.51 5.01 0.00 2.04 1.81 0.00 3.28 0.00 0.00 3.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 32 R 8.94 5.20 0.00 2.00 1.95 0.00 2.75 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 33 I 9.14 4.81 1.83 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.84 0.53 0.00 0.00 34 I 8.79 4.76 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.79 0.88 0.00 0.00 35 P 0.00 4.64 0.00 2.02 1.97 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 36 I 8.27 4.93 1.74 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.57 0.68 0.00 0.00 37 L 9.55 4.55 0.00 1.58 1.70 0.90 0.39 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 38 G 8.10 3.64 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 0.00 0.00 0.00 39 G 8.05 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 40 E 8.56 4.62 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.33 0.00 41 V 7.78 4.52 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 0.08 0.00 0.00 -0.25 0.00 0.00 42 K 7.71 4.58 0.00 1.72 1.65 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.50 7.81 43 G 8.05 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.70 4.17 0.00 1.85 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 2.37 2.44 0.00 45 G 9.02 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 46 I 7.48 4.56 1.85 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.57 1.35 0.00 0.00 47 S 7.92 4.57 0.00 3.93 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.91 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 49 Q 8.48 5.08 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 50 V 9.60 4.29 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 0.85 0.00 0.00 1.09 0.00 0.00 51 L 9.18 4.32 0.00 1.25 0.63 1.00 -0.02 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 52 P 0.00 4.50 0.00 2.17 2.17 0.00 3.19 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 53 F 7.00 4.71 0.00 3.15 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 54 G 10.66 4.10 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 0.00 0.00 0.00 55 A 7.94 4.60 0.74 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 56 D 8.60 4.76 0.00 2.62 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.70 5.21 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 58 Q 9.73 5.06 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 59 I 8.37 5.01 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 1.26 1.30 0.92 0.00 0.00 60 I 8.62 4.78 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 1.23 1.01 0.92 0.00 0.00 61 R 8.90 4.38 0.00 2.02 1.85 0.00 3.03 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 62 P 0.00 4.25 0.00 2.03 2.15 0.00 3.66 0.00 0.00 3.70 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 63 N 8.00 4.56 0.00 2.93 2.95 0.00 0.00 6.21 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 64 E 8.78 4.09 0.00 2.19 2.36 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 2.24 2.26 0.00 65 L 8.05 4.49 0.00 1.25 1.45 0.40 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.77 4.95 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.89 0.00 0.00 67 E 8.91 4.89 0.00 2.08 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 2.41 2.30 0.00 68 L 8.90 4.96 0.00 1.74 2.00 1.11 1.02 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 69 E 9.07 5.27 0.00 2.17 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 2.28 2.32 0.00 70 A 9.18 5.16 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.91 4.99 0.00 1.95 2.01 0.00 1.79 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.45 1.55 7.81 72 Y 8.53 5.22 0.00 3.08 3.04 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 73 A 8.79 5.24 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 74 F 8.66 5.38 0.00 3.20 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 9.06 5.01 0.00 2.02 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 2.16 2.27 0.00 76 T 8.22 4.93 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 0.80 0.00 0.00 77 D 8.08 4.48 0.00 2.74 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 78 D 8.17 4.42 0.00 2.81 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 79 G 7.71 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 80 A 7.69 4.14 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.23 4.35 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 0.77 0.00 0.00 0.91 0.00 0.00 82 V 8.08 4.09 0.67 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 0.56 0.00 0.00 0.03 0.00 0.00 83 Y 8.73 4.89 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 84 V 8.22 4.32 0.95 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 0.47 0.00 0.00 1.00 0.00 0.00 85 E 8.28 4.69 0.00 1.70 1.70 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 2.12 1.80 0.00 86 N 9.52 4.98 0.00 2.70 2.81 0.00 0.00 6.32 8.35 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 87 V 8.00 4.75 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 0.76 0.00 0.00 0.95 0.00 0.00 88 G 8.50 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.53 5.36 1.97 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.06 0.96 0.00 0.00 90 R 9.01 5.17 0.00 1.09 1.52 0.00 2.82 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.42 0.00 91 F 10.08 5.58 0.00 3.03 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 92 G 6.64 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 93 P 0.00 4.28 0.00 2.35 2.10 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.89 0.00 94 V 8.30 3.54 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 1.08 0.00 0.00 0.93 0.00 0.00 95 E 8.15 3.94 0.00 2.07 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 2.39 2.45 0.00 96 L 7.35 4.01 0.00 1.71 1.71 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.78 4.13 0.00 1.80 1.72 1.05 0.97 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 98 R 8.11 4.04 0.00 1.99 1.97 0.00 3.12 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 99 K 7.91 4.30 0.00 1.93 1.92 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.70 7.81 100 L 7.66 4.15 0.00 1.86 1.71 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.85 4.24 0.00 1.96 2.03 0.00 1.51 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.51 7.81 102 R 7.21 4.10 0.00 1.99 2.05 0.00 3.15 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 103 G 7.90 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 0.00 0.00 0.00 104 E 7.57 4.53 0.00 2.18 1.86 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 2.25 2.21 0.00 105 P 0.00 4.24 0.00 2.16 2.09 0.00 3.71 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 1.98 1.95 0.00 106 V 7.98 4.33 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 0.93 0.00 0.00 107 D 8.57 4.47 0.00 2.72 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 0.00 108 P 0.00 4.48 0.00 2.24 2.14 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 109 K 7.51 4.00 0.00 1.86 1.89 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.53 7.81 110 V 7.70 4.24 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 0.73 0.00 0.00 0.93 0.00 0.00 111 I 7.35 4.66 1.94 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 1.12 0.69 1.03 0.00 0.00 112 Y 8.83 4.40 0.00 3.18 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 0.00 113 F 8.25 5.75 0.00 2.99 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 0.00 114 R 8.41 5.09 0.00 1.58 1.64 0.00 3.11 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 115 T 9.02 5.02 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 116 R 9.29 4.67 0.00 1.80 1.82 0.00 3.26 0.00 0.00 3.20 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 117 P 0.00 4.59 0.00 1.52 1.86 0.00 3.91 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 118 R 8.39 4.39 0.00 1.70 1.57 0.00 3.03 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 119 F 8.41 5.49 0.00 2.73 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 0.00 120 E 9.32 4.85 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 121 T 8.56 4.85 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 1.11 0.00 0.00 122 G 8.81 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 0.00 0.00 0.00 123 H 8.14 4.19 0.00 3.25 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.40 0.00 2.20 2.15 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 1.86 1.91 0.00 125 N 8.27 4.49 0.00 2.54 2.47 0.00 0.00 6.82 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 0.00 126 Y 7.75 4.80 0.00 2.92 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 0.00 127 Q 8.40 4.13 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.09 0.00 0.00 0.00 0.00 0.00 2.69 2.37 0.00 128 W 8.58 4.68 0.00 3.88 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.05 3.96 0.00 1.45 1.32 0.19 -0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *131 Q 8.09 4.42 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.08 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 132 Y 7.98 4.80 0.00 2.55 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.39 4.74 0.00 1.80 1.53 0.97 0.85 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 0.00 134 F 8.88 5.39 0.00 3.12 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 0.00 135 V 9.14 4.56 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 1.01 0.00 0.00 0.97 0.00 0.00 136 G 8.96 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 0.00 0.00 0.00 0.00 137 S 8.88 4.95 0.00 3.83 3.70 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 0.00 138 A 8.90 5.03 -0.14 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 0.00 139 A 7.82 4.72 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 0.00 140 R 8.78 4.89 0.00 1.91 1.86 0.00 3.35 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 141 H 8.43 5.14 0.00 3.29 3.17 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.63 4.22 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 0.00 143 D 8.08 4.75 0.00 2.66 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 0.00 144 R 7.60 5.01 0.00 1.86 1.97 0.00 3.04 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 145 V 8.15 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 1.14 0.00 0.00 0.94 0.00 0.00 146 V 8.12 4.63 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 0.90 0.00 0.00 0.93 0.00 0.00 147 I 9.03 4.52 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.46 0.88 0.00 0.00 148 D 8.73 4.98 0.00 2.83 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 0.00 149 V 8.67 4.44 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 0.00 0.00 0.85 0.00 0.00 0.87 0.00 0.00 150 H 9.05 5.25 0.00 3.22 3.17 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 9.26 4.02 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 152 V 8.23 4.28 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 0.82 0.00 0.00 0.94 0.00 0.00 153 L 8.69 4.57 0.00 1.55 1.58 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.