NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2588 8.2649 123.5896 53.4940 19.7525 174.4782 2 M 3.3453 8.8792 116.0199 54.5765 30.4189 174.7175 3 T 5.1914 7.2977 106.6533 60.3197 73.4834 171.2458 4 Y 5.0067 8.1687 119.1397 55.6641 42.2572 173.3283 5 H 4.9327 9.0035 120.3807 55.6122 31.7093 173.3585 6 L 5.3428 8.7203 127.6363 53.4100 44.9386 174.5309 7 D 5.5207 9.2875 125.3761 52.5070 44.6915 174.8619 8 V 4.7862 9.1388 123.2220 61.3079 34.2186 174.6590 9 V 5.1353 9.0470 120.8899 59.8534 36.2230 174.5481 10 S 5.4220 9.1009 117.3864 55.2703 65.9187 174.8462 11 A 3.8212 8.7684 122.0010 54.6331 18.2080 178.2936 12 E 4.4222 7.5368 114.1574 57.6148 30.7374 175.7373 13 Q 4.4637 8.0841 114.9683 55.2284 31.6854 173.2766 14 Q 4.6558 8.3859 117.6392 54.9073 28.8851 175.7299 15 M 4.3130 8.6999 124.2456 57.4575 32.7794 177.0688 16 F 4.7085 7.7477 118.1058 57.1516 42.4585 172.7157 17 S 4.8137 6.5935 120.1716 55.8936 65.1126 174.0031 18 G 4.0407 7.4506 116.9335 44.6580 0.0000 170.8741 19 L 4.6251 7.6112 119.5131 54.7394 42.8821 177.0691 20 V 4.6618 8.3708 115.3290 59.7872 35.6657 176.1959 21 E 4.5391 9.5216 123.1275 57.4993 30.3611 176.5723 22 K 4.7323 7.1759 116.6611 56.7222 35.2296 173.6837 23 I 4.9997 7.5885 112.9345 59.2215 41.6717 173.9354 24 Q 5.2112 9.0503 122.2260 54.2012 32.2266 174.9097 25 V 4.6650 8.5875 121.9630 60.7367 35.5411 173.4217 26 T 4.5468 8.5298 119.8259 62.8163 69.7420 175.3057 27 G 4.1610 9.0085 117.2000 44.2008 0.0000 174.2348 28 S 4.1753 8.3876 113.7002 60.4276 63.0133 175.1183 29 E 4.4178 8.5496 117.7782 55.1398 30.4298 175.4689 30 G 3.9760 6.6335 106.6511 45.1736 0.0000 171.2743 31 E 4.4698 8.2854 118.7554 56.3118 30.4180 176.9988 32 L 4.7134 8.8622 122.6732 52.8789 45.5509 175.7198 33 G 4.2495 8.9123 110.9051 44.6225 0.0000 172.2764 34 I 4.4452 8.4064 128.9637 59.8840 38.7811 175.4463 35 Y 5.1487 8.5044 124.5374 55.2327 41.2639 173.5848 36 P 4.5269 0.0000 0.0000 64.3150 31.7937 177.5252 37 G 3.9576 8.8285 110.0344 45.2896 0.0000 173.3267 38 H 4.0524 7.5412 118.7838 55.8977 30.3538 174.8741 39 A 4.2326 8.0797 127.9529 51.0495 19.0054 175.4814 40 P 4.5662 0.0000 0.0000 63.4439 31.9512 175.8526 41 L 4.6995 8.8016 124.8033 53.6098 46.1946 174.2209 42 L 5.1071 8.3117 126.0626 53.8596 44.7193 175.0508 43 T 4.6816 8.7274 119.3257 60.9099 71.5677 172.4745 44 A 4.8807 8.5670 127.4355 51.4862 20.4458 176.1853 45 I 4.8634 8.3284 112.7532 59.1388 40.7374 174.8229 46 K 4.6175 8.5742 122.0991 53.9114 34.1522 175.0986 47 P 4.2975 0.0000 0.0000 62.6277 32.2901 177.1881 48 G 4.1637 7.5916 109.7881 44.6478 0.0000 171.5048 49 M 4.8790 8.0769 119.4731 54.8179 33.4603 175.9523 50 I 4.4800 8.8051 122.9977 59.2711 40.8257 173.9736 51 R 4.3373 8.9261 130.2798 54.6164 32.0021 174.5724 52 I 4.4394 8.1171 127.7536 59.5191 39.8916 175.0408 53 V 4.2553 8.4384 128.9064 61.0789 31.4926 175.4713 54 K 4.4286 8.5429 127.1580 55.3632 33.1579 176.8640 55 Q 3.7469 8.1028 123.0937 58.3901 28.8674 176.0829 56 H 4.1741 8.9608 120.6222 56.2165 25.5620 177.2816 57 G 3.9704 8.1861 108.0273 46.0414 0.0000 174.5423 58 H 4.3779 7.4240 117.7073 56.1059 29.4817 174.3553 59 E 4.7855 8.7993 124.4888 55.3373 31.1005 174.8007 60 E 4.8093 8.6867 125.4989 54.6798 33.5663 173.7324 61 F 5.3363 8.9749 123.8808 55.8526 42.4383 174.7956 62 I 4.7290 8.3800 121.6965 59.9041 41.4496 173.5968 63 Y 4.7831 8.8483 128.4194 57.0007 39.7337 174.2924 64 L 4.5885 8.0599 126.2577 52.8696 44.9097 177.5299 65 S 4.1535 8.4957 117.3244 58.6727 63.5513 172.9575 66 G 3.6568 8.2942 106.5261 43.8368 0.0000 171.4216 67 G 3.9548 7.9505 105.6577 44.4395 0.0000 171.9003 68 I 4.8896 8.3909 121.9245 59.3600 40.9575 174.4889 69 L 4.8523 9.2233 128.7687 53.2469 44.3185 174.4404 70 E 5.0978 9.1519 127.4047 54.3740 32.4975 174.3532 71 V 4.7465 9.1814 127.6142 61.1172 34.1811 174.3654 72 Q 4.9645 8.4907 124.2990 53.6283 32.5101 172.6534 73 P 4.1702 0.0000 0.0000 64.5048 33.0066 175.5914 74 G 3.8880 9.4442 115.8177 44.5388 0.0000 174.6265 75 N 4.7681 9.3590 118.3577 53.9409 41.0354 173.2272 76 V 4.8516 9.0164 125.4075 61.3926 34.6904 174.1853 77 T 5.0642 9.0859 124.1838 61.8268 72.0163 172.9034 78 V 4.3555 9.2385 127.5401 61.6937 33.2247 174.8289 79 L 4.9066 9.1665 129.8112 53.4097 41.7055 175.4541 80 A 4.7392 9.0183 126.4670 51.2371 20.1196 176.4956 81 D 4.7789 8.5621 121.2356 54.4126 41.4215 177.0657 82 T 4.2275 8.6047 110.0408 62.6051 69.7637 174.3671 83 A 4.6832 7.3906 123.1652 50.3289 22.1945 175.6105 84 I 3.9705 8.3381 121.0221 61.7141 37.4295 176.4386 85 R 4.5535 8.3367 124.5091 54.3750 32.0386 175.8446 86 G 4.0617 7.9037 109.8247 44.4446 0.0000 174.1520 87 Q 3.9189 8.1474 120.2973 59.3486 28.9757 178.3634 88 D 4.3353 8.0062 119.2295 57.2601 40.9774 178.6077 89 L 3.9751 7.8448 118.8985 57.9997 41.6601 179.1160 90 D 4.3559 8.2858 118.9118 57.4564 40.6843 178.5819 91 E 3.9059 8.5259 119.7420 59.1349 29.4650 178.6632 92 A 3.9985 8.2246 121.1902 55.2451 18.4886 179.8869 93 R 3.8988 7.9806 116.3714 59.1955 30.0585 179.0952 94 A 4.0145 8.2801 121.0337 55.2532 18.2725 179.4671 95 M 3.9619 8.3583 117.6062 58.5672 32.0626 178.5055 96 E 3.8807 7.9666 118.9670 59.3299 29.6834 178.6121 97 A 4.0275 7.8997 120.4952 55.1163 18.3065 179.8597 98 K 3.9276 8.3014 116.9791 59.7562 32.0971 179.7235 99 R 3.9169 8.6894 118.8877 59.3988 29.7659 179.2515 100 K 3.9442 8.3243 117.2725 59.4344 32.2321 178.8993 101 A 4.1978 7.7862 120.9837 54.6603 18.2311 178.9567 102 E 4.1935 8.2285 115.6908 58.0895 29.7706 178.1513 103 E 3.9384 7.6578 119.0222 56.7567 30.1463 176.6482 104 H 4.2587 7.3688 113.9972 56.2048 29.3721 173.9892 *111 D 4.0412 8.2055 121.1965 54.8956 41.8992 171.0631 112 V 2.9505 8.2876 132.9342 62.6666 30.5784 171.7751 113 D 4.4963 7.9916 127.5542 53.0554 40.4901 175.4901 114 Y 4.1068 8.0949 124.5739 60.7359 38.0493 178.1850 115 A 4.0102 8.1140 121.0434 55.2469 18.5813 179.2626 116 Q 3.8701 8.9085 118.2525 59.1722 29.1496 178.0906 117 A 3.9791 8.2577 122.1162 55.4896 18.4253 179.7384 118 S 4.0844 8.3951 113.4317 61.6532 62.8343 176.7547 119 A 3.9863 8.0011 123.3203 55.4239 18.1807 179.5269 120 E 3.9075 8.5530 117.3740 59.5299 29.4399 179.7548 121 L 3.9905 8.1322 118.8103 57.5892 41.6932 179.1269 122 A 3.9889 8.4372 121.2013 55.0682 18.2841 179.5158 123 K 3.8116 8.3176 117.8888 59.7178 32.3624 178.6660 124 A 4.0028 8.0404 120.9021 55.3342 18.2617 179.5896 125 I 3.6113 8.2104 118.3272 64.4736 37.3264 178.3156 126 A 4.0094 8.0582 121.5593 55.5670 18.1844 179.7938 127 Q 4.0043 8.2740 116.3148 58.9226 28.7243 179.0247 128 L 3.9868 7.8300 120.2167 57.6929 41.5713 179.2873 129 R 4.1631 7.9948 120.0466 58.7242 29.7070 178.6858 130 V 3.5482 7.4396 116.5389 66.0945 31.8870 177.4637 131 I 3.8431 7.6227 119.4837 64.7797 36.5103 177.6975 132 E 3.9858 8.6591 119.1913 59.8270 29.0854 179.7571 133 L 4.1799 7.9183 113.9606 55.3460 41.4286 177.5242 134 T 4.2649 7.9617 122.0143 63.9132 68.9943 171.7824 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 4.26 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 2 M 8.88 3.35 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 3 T 7.30 5.19 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 1.14 0.00 0.00 4 Y 8.17 5.01 0.00 3.13 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 5 H 9.00 4.93 0.00 3.30 3.30 0.00 5.62 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 6 L 8.72 5.34 0.00 1.82 1.53 1.02 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.29 5.52 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 9.14 4.79 2.20 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 0.99 0.00 0.00 0.89 0.00 0.00 9 V 9.05 5.14 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 0.72 0.00 0.00 0.95 0.00 0.00 10 S 9.10 5.42 0.00 3.90 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.77 3.82 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 12 E 7.54 4.42 0.00 1.80 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 2.28 2.23 0.00 13 Q 8.08 4.46 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 14 Q 8.39 4.66 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.07 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 15 M 8.70 4.31 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 16 F 7.75 4.71 0.00 3.01 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 6.59 4.81 0.00 3.77 3.52 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 18 G 7.45 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 19 L 7.61 4.63 0.00 1.57 1.53 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.37 4.66 1.88 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 0.76 0.00 0.00 0.12 0.00 0.00 21 E 9.52 4.54 0.00 1.79 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 2.42 2.00 0.00 22 K 7.18 4.73 0.00 1.36 1.40 0.00 1.27 0.00 0.00 1.51 0.00 0.00 2.62 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 0.92 7.81 23 I 7.59 5.00 1.75 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 1.39 0.84 0.81 0.00 0.00 24 Q 9.05 5.21 0.00 1.79 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.71 0.00 0.00 0.00 0.00 0.00 2.19 2.38 0.00 25 V 8.59 4.67 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 0.62 0.00 0.00 0.88 0.00 0.00 26 T 8.53 4.55 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 1.25 0.00 0.00 27 G 9.01 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 28 S 8.39 4.18 0.00 4.02 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 29 E 8.55 4.42 0.00 1.94 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 2.23 2.34 0.00 30 G 6.63 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 31 E 8.29 4.47 0.00 1.88 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 2.32 2.30 0.00 32 L 8.86 4.71 0.00 1.68 1.49 0.89 0.73 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 33 G 8.91 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 0.00 0.00 0.00 0.00 34 I 8.41 4.45 1.85 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.51 0.60 0.00 0.00 35 Y 8.50 5.15 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 36 P 0.00 4.53 0.00 2.18 2.19 0.00 4.00 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 37 G 8.83 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 38 H 7.54 4.05 0.00 3.27 3.09 0.00 5.76 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 39 A 8.08 4.23 1.22 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 0.00 0.00 0.00 40 P 0.00 4.57 0.00 1.94 2.01 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 41 L 8.80 4.70 0.00 1.73 1.39 0.92 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.31 5.11 0.00 1.60 1.47 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.73 4.68 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 1.19 0.00 0.00 44 A 8.57 4.88 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 45 I 8.33 4.86 1.95 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 1.25 0.73 0.87 0.00 0.00 46 K 8.57 4.62 0.00 1.62 1.76 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.39 7.81 47 P 0.00 4.30 0.00 1.99 2.03 0.00 3.75 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 2.05 2.26 0.00 48 G 7.59 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 49 M 8.08 4.88 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.65 0.00 50 I 8.81 4.48 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 0.94 1.50 0.88 0.00 0.00 51 R 8.93 4.34 0.00 1.77 1.61 0.00 3.19 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.63 0.00 52 I 8.12 4.44 1.43 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.18 0.29 0.00 0.00 53 V 8.44 4.26 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 0.88 0.00 0.00 0.79 0.00 0.00 54 K 8.54 4.43 0.00 1.80 1.81 0.00 2.09 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.34 7.81 55 Q 8.10 3.75 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.18 0.00 0.00 0.00 0.00 0.00 1.70 2.11 0.00 56 H 8.96 4.17 0.00 3.17 3.39 0.00 5.75 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.19 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 7.42 4.38 0.00 3.17 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.80 4.79 0.00 1.99 1.89 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 1.82 2.12 0.00 60 E 8.69 4.81 0.00 2.03 1.56 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 2.18 2.34 0.00 61 F 8.97 5.34 0.00 2.91 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 62 I 8.38 4.73 1.84 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 1.17 0.69 0.94 0.00 0.00 63 Y 8.85 4.78 0.00 3.02 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 64 L 8.06 4.59 0.00 1.29 1.32 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.50 4.15 0.00 3.98 3.93 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 66 G 8.29 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.95 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 I 8.39 4.89 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 1.10 1.01 0.90 0.00 0.00 69 L 9.22 4.85 0.00 1.67 1.59 0.87 0.84 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 70 E 9.15 5.10 0.00 1.99 1.74 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 2.16 2.34 0.00 71 V 9.18 4.75 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 0.93 0.00 0.00 0.77 0.00 0.00 72 Q 8.49 4.96 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 73 P 0.00 4.17 0.00 2.06 2.06 0.00 3.66 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 2.02 2.08 0.00 74 G 9.44 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.36 4.77 0.00 2.83 2.74 0.00 0.00 6.29 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 76 V 9.02 4.85 2.28 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 1.02 0.00 0.00 0.43 0.00 0.00 77 T 9.09 5.06 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 1.23 0.00 0.00 78 V 9.24 4.36 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 1.01 0.00 0.00 0.90 0.00 0.00 79 L 9.17 4.91 0.00 1.58 1.60 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 80 A 9.02 4.74 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 81 D 8.56 4.78 0.00 2.56 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.60 4.23 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 1.22 0.00 0.00 83 A 7.39 4.68 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 84 I 8.34 3.97 1.91 0.00 0.00 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 1.63 0.66 0.94 0.00 0.00 85 R 8.34 4.55 0.00 1.79 1.84 0.00 3.48 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.55 0.00 86 G 7.90 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.15 3.92 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 88 D 8.01 4.34 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 89 L 7.84 3.98 0.00 1.69 1.72 0.98 1.11 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 90 D 8.29 4.36 0.00 2.98 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 3.91 0.00 2.15 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 0.00 2.31 2.37 0.00 92 A 8.22 4.00 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 93 R 7.98 3.90 0.00 2.09 1.99 0.00 3.14 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 94 A 8.28 4.01 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 95 M 8.36 3.96 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.97 0.00 96 E 7.97 3.88 0.00 1.98 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 2.31 2.34 0.00 97 A 7.90 4.03 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 98 K 8.30 3.93 0.00 2.04 2.04 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.48 7.81 99 R 8.69 3.92 0.00 1.78 1.99 0.00 3.29 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.81 0.00 100 K 8.32 3.94 0.00 1.89 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.23 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.58 7.81 101 A 7.79 4.20 1.33 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 0.00 102 E 8.23 4.19 0.00 2.07 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 2.35 2.38 0.00 103 E 7.66 3.94 0.00 2.02 2.14 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 2.31 2.32 0.00 104 H 7.37 4.26 0.00 3.17 3.63 0.00 5.76 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *111 D 8.21 4.04 0.00 2.64 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 0.00 112 V 8.29 2.95 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 0.14 0.00 0.00 0.78 0.00 0.00 113 D 7.99 4.50 0.00 2.68 2.49 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 0.00 114 Y 8.09 4.11 0.00 3.14 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 0.00 115 A 8.11 4.01 1.37 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 0.00 0.00 0.00 116 Q 8.91 3.87 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 117 A 8.26 3.98 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 0.00 118 S 8.40 4.08 0.00 4.04 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 0.00 119 A 8.00 3.99 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 0.00 120 E 8.55 3.91 0.00 2.13 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 2.33 2.35 0.00 121 L 8.13 3.99 0.00 1.86 1.72 0.94 0.75 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 0.00 122 A 8.44 3.99 1.37 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 0.00 0.00 0.00 123 K 8.32 3.81 0.00 1.82 2.01 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 124 A 8.04 4.00 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 0.00 125 I 8.21 3.61 2.05 0.00 0.00 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 1.46 0.94 0.91 0.00 0.00 126 A 8.06 4.01 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 0.00 127 Q 8.27 4.00 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 128 L 7.83 3.99 0.00 1.92 1.71 0.92 0.78 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 0.00 129 R 7.99 4.16 0.00 1.94 2.14 0.00 3.32 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 130 V 7.44 3.55 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 0.89 0.00 0.00 0.97 0.00 0.00 131 I 7.62 3.84 2.05 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 1.52 1.11 0.91 0.00 0.00 132 E 8.66 3.99 0.00 2.19 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 2.34 2.53 0.00 133 L 7.92 4.18 0.00 1.71 1.69 0.92 1.16 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 T 7.96 4.26 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 * Residues marked with a * may have inaccurate shift predictions.