NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2842 8.3193 115.2903 56.3893 63.2979 172.2190 3 M 3.2478 9.3247 116.6844 54.5935 32.5310 175.3835 4 K 4.5958 9.0567 123.3243 54.5090 35.5233 177.2729 5 T 4.0410 8.3006 119.5282 62.8775 68.8525 174.4461 6 L 4.0380 8.4479 129.0723 54.4334 42.6309 174.9850 7 P 4.4838 0.0000 0.0000 62.3116 32.0762 175.6044 8 K 4.4412 8.3054 119.7513 55.1082 33.0496 176.2739 9 E 4.5992 8.3091 123.8360 54.2941 32.6774 174.5445 10 R 3.8443 8.5433 126.3570 56.3576 30.7268 175.3409 11 R 4.5312 7.7629 122.0082 54.5314 33.4910 175.1875 12 F 4.8438 8.2414 116.1506 57.1460 40.9772 176.6887 13 E 3.5745 8.4432 120.9671 57.0832 27.5909 174.8419 14 T 3.9357 8.3439 121.3718 66.3637 68.9222 174.3544 15 F 4.5138 9.0263 124.0257 57.7082 36.6385 176.0092 16 S 4.5990 8.2968 114.2450 59.5200 63.1530 174.2726 17 Y 4.3548 8.1152 117.6097 58.0394 38.4262 175.4080 18 L 4.6047 7.6325 120.2868 52.3482 43.2592 174.5811 19 P 4.2409 0.0000 0.0000 62.3424 31.7373 174.7525 20 P 4.2281 0.0000 0.0000 63.0859 31.7237 176.1284 21 L 4.3375 8.4014 123.1831 54.2558 42.3255 177.8856 22 S 4.3779 8.9603 119.0203 58.2248 65.0889 175.3211 23 D 4.4129 8.5675 121.9713 57.0649 40.6102 179.0111 24 R 4.0841 7.8976 118.5031 58.8404 30.1983 178.5990 25 Q 3.9561 7.8279 117.7039 58.6753 28.6642 178.6249 26 I 3.6825 8.1313 121.1364 64.4082 37.1239 178.3452 27 A 4.0909 8.1109 121.3801 55.0629 18.2079 179.5557 28 A 3.9754 7.9933 119.3249 55.4102 18.4074 179.9376 29 Q 4.0511 7.9561 116.3864 59.1938 28.7957 178.9492 30 I 4.0195 8.1369 120.9357 64.2226 37.0540 178.3275 31 E 4.0302 8.7005 120.1543 59.4225 29.2284 178.6056 32 Y 4.1035 8.0974 119.4130 61.1693 38.8733 177.5961 33 M 4.0156 8.2678 119.3666 58.9525 32.1585 178.6765 34 I 3.6398 7.9178 119.1272 64.6548 37.2004 178.2228 35 E 3.8495 7.9859 118.6410 59.1261 29.5301 178.1156 36 Q 3.6673 7.4302 117.9827 56.6396 29.0176 176.6497 37 G 3.7944 7.3568 107.3254 45.3089 0.0000 173.4965 38 F 4.9213 7.0531 117.7827 57.5703 40.0739 174.6584 39 H 4.9543 9.0787 119.3173 54.0510 30.3769 173.1748 40 P 4.9872 0.0000 0.0000 62.5015 32.9264 175.1196 41 L 4.9277 9.2418 124.9760 53.4853 45.9171 174.7325 42 I 5.0446 8.5520 126.0870 59.7637 39.7067 174.4017 43 E 5.5600 9.1898 125.6875 54.6410 34.0081 174.7158 44 F 5.7324 8.9461 115.9625 55.7010 41.9582 172.9938 45 N 4.9360 8.6506 117.8428 51.9984 41.8983 175.1698 46 E 4.0405 8.7530 122.3190 58.3221 30.3251 176.1184 47 H 5.1126 7.6244 114.9368 54.3013 33.1044 173.0897 48 S 4.5620 8.2518 114.6731 56.4924 61.1076 172.0168 49 N 4.8046 7.7752 119.8646 50.5713 39.7233 174.8422 50 P 4.4845 0.0000 0.0000 65.5160 31.6567 177.4703 51 E 3.8504 7.5746 118.6353 58.1851 29.7122 176.2799 *64 E 4.1107 7.7662 116.7827 56.2143 30.6942 175.8142 65 F 4.5045 8.3561 121.6316 59.4480 39.4731 175.6360 66 Y 4.9067 8.3226 117.7973 56.0057 39.6016 175.3710 67 W 4.7896 8.8640 124.0457 55.4698 32.0455 175.3671 68 T 4.2212 8.0591 117.8058 62.8091 69.3637 174.4024 69 M 4.4845 8.4154 126.2007 55.0906 33.2109 175.1523 70 W 4.7555 9.3852 135.0000 56.5167 31.4753 176.8999 71 K 3.3830 8.4928 128.2360 57.4468 30.9646 178.0220 72 L 4.8554 8.2404 124.5752 52.6256 45.3023 173.9422 73 P 4.2275 0.0000 0.0000 62.8978 31.7146 177.6870 74 L 4.3245 8.2412 122.9916 53.5048 40.0112 177.6505 75 F 4.3217 8.2185 120.6442 59.4401 39.7408 175.9035 76 A 4.8666 7.7257 122.2468 51.3735 19.1408 176.1137 77 C 4.2606 8.0766 121.8429 60.0212 32.2025 172.6581 78 A 4.5059 8.7360 129.0849 52.0035 20.5679 176.0114 79 A 4.7757 7.6777 119.0178 49.6670 21.1471 175.3943 80 P 4.2921 0.0000 0.0000 65.9136 31.3487 178.7056 81 Q 3.9532 8.0618 117.8044 59.0738 28.9152 177.6699 82 Q 4.0067 7.8820 120.8326 59.2845 29.0030 178.7952 83 V 3.6198 7.7481 118.5053 66.1493 31.7486 177.8679 84 L 4.0320 8.2397 118.9232 57.8872 41.3683 179.3206 85 D 4.3883 8.6917 119.4010 57.3796 40.6957 178.6531 86 E 4.1404 8.1427 119.1078 59.2906 29.4874 179.4338 87 V 3.4375 7.9719 118.4678 65.8888 31.6281 178.3978 88 R 3.8064 8.0814 117.7910 59.2140 29.8127 178.7279 89 E 3.9180 8.1619 118.3795 59.6679 29.4582 179.0658 90 C 2.4500 7.5970 118.8179 61.8735 31.1460 175.8604 91 R 3.7223 7.3937 119.0407 59.0679 29.6682 178.9199 92 S 4.1271 7.6076 112.9827 60.9828 63.0609 175.6019 93 E 3.9507 7.4704 122.0602 57.4087 30.6477 175.8327 94 Y 4.8012 7.9416 116.4186 57.0468 38.7387 177.0298 95 G 3.6381 7.8603 109.4868 47.7265 0.0000 174.2012 96 D 4.7443 8.0044 117.9881 53.5676 39.7853 175.4379 97 C 5.0124 7.7098 116.8600 58.0655 31.6254 173.4206 98 Y 4.4525 8.7527 119.0482 58.2551 38.9622 175.0451 99 I 5.4601 9.2088 123.5445 59.6970 41.2914 174.4301 100 R 4.9711 9.3969 126.5157 54.4974 33.7462 173.8029 101 V 4.6299 8.1268 125.4553 61.3356 33.4196 174.3976 102 A 5.1866 9.2175 129.1947 50.0337 22.7907 174.7447 103 G 4.5178 8.6828 107.1839 44.3352 0.0000 172.0332 104 F 4.8406 9.1618 125.9255 55.9868 42.4632 173.3724 105 D 5.0588 8.1221 127.1417 53.2162 41.5015 176.5332 106 N 4.9395 9.1468 123.6181 54.3618 38.4382 176.4829 107 I 4.0061 8.0844 120.1271 64.1390 37.4131 177.3027 108 K 4.0233 8.1999 116.2527 56.4685 32.8463 176.0761 109 E 3.8522 8.0504 119.0475 56.7970 27.8786 172.8084 110 C 4.5126 7.2717 118.3916 57.4990 36.3424 173.2947 111 Q 4.2364 8.3539 125.3174 56.2941 28.6305 175.3188 112 T 4.2193 8.7197 116.8932 62.2196 70.7598 174.9370 113 S 4.8967 7.3271 116.1095 56.7324 67.4965 173.4756 114 S 4.9401 8.6018 111.4797 57.8638 64.8530 175.1791 115 F 5.0916 8.0854 122.0004 55.4683 41.5491 173.8953 116 I 4.3250 8.6987 122.6523 61.8142 37.3830 176.2135 117 V 4.5051 8.6932 118.3185 61.8336 33.2506 175.6441 118 H 4.8841 8.0854 120.3492 54.7662 33.2110 172.0547 119 R 4.5431 8.1104 124.0061 53.2250 32.6610 174.0413 120 P 4.5295 0.0000 0.0000 61.6156 32.5858 175.6189 121 G 3.6544 8.7623 108.0994 46.7829 0.0000 173.7414 122 R 4.1029 8.4762 122.0629 56.1298 31.0527 176.2583 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 S 8.32 4.28 0.00 3.85 3.69 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 3 M 9.32 3.25 0.00 2.44 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 4 K 9.06 4.60 0.00 1.75 1.75 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.38 7.81 5 T 8.30 4.04 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 1.22 0.00 0.00 6 L 8.45 4.04 0.00 1.60 1.60 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.48 0.00 2.08 1.97 0.00 3.73 0.00 0.00 3.79 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 8 K 8.31 4.44 0.00 1.74 1.74 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.41 7.81 9 E 8.31 4.60 0.00 1.84 1.69 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 2.17 2.30 0.00 10 R 8.54 3.84 0.00 1.74 1.68 0.00 3.12 0.00 0.00 2.78 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.47 0.00 11 R 7.76 4.53 0.00 1.72 1.69 0.00 3.15 0.00 0.00 3.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 12 F 8.24 4.84 0.00 3.10 3.07 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 13 E 8.44 3.57 0.00 2.18 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 2.30 2.23 0.00 14 T 8.34 3.94 4.14 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 0.31 0.00 0.00 15 F 9.03 4.51 0.00 3.27 3.21 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 16 S 8.30 4.60 0.00 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 0.00 17 Y 8.12 4.35 0.00 2.98 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 18 L 7.63 4.60 0.00 1.81 1.59 0.88 1.12 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 19 P 0.00 4.24 0.00 2.02 2.02 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 20 P 0.00 4.23 0.00 2.04 2.04 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 21 L 8.40 4.34 0.00 1.62 1.51 0.57 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.96 4.38 0.00 4.03 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 23 D 8.57 4.41 0.00 2.79 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 24 R 7.90 4.08 0.00 1.84 1.95 0.00 3.12 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 25 Q 7.83 3.96 0.00 2.26 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 I 8.13 3.68 2.10 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 1.61 1.03 1.14 0.00 0.00 27 A 8.11 4.09 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 3.98 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 29 Q 7.96 4.05 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.24 1.84 0.00 30 I 8.14 4.02 2.12 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 1.70 1.31 1.00 0.00 0.00 31 E 8.70 4.03 0.00 2.25 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 0.00 2.36 2.45 0.00 32 Y 8.10 4.10 0.00 3.10 3.27 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 33 M 8.27 4.02 0.00 2.26 2.46 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.96 0.00 34 I 7.92 3.64 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.03 1.01 0.00 0.00 35 E 7.99 3.85 0.00 1.93 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 0.00 2.18 2.25 0.00 36 Q 7.43 3.67 0.00 1.25 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.51 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 37 G 7.36 3.79 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 0.00 0.00 0.00 38 F 7.05 4.92 0.00 2.96 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 39 H 9.08 4.95 0.00 3.35 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.67 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 4.99 0.00 2.11 2.02 0.00 3.83 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 41 L 9.24 4.93 0.00 1.62 1.45 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.55 5.04 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.71 0.93 0.00 0.00 43 E 9.19 5.56 0.00 2.11 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 0.00 2.28 2.24 0.00 44 F 8.95 5.73 0.00 3.04 3.08 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 45 N 8.65 4.94 0.00 1.44 1.42 0.00 0.00 7.17 7.09 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 46 E 8.75 4.04 0.00 1.89 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 2.13 2.20 0.00 47 H 7.62 5.11 0.00 3.01 3.15 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.25 4.56 0.00 2.84 3.54 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 49 N 7.78 4.80 0.00 2.76 2.69 0.00 0.00 6.74 8.03 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 50 P 0.00 4.48 0.00 2.15 2.16 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 51 E 7.57 3.85 0.00 2.18 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 2.26 2.25 0.00 *64 E 7.77 4.11 0.00 2.10 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 2.14 2.23 0.00 65 F 8.36 4.50 0.00 2.37 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 0.00 0.00 0.00 0.00 66 Y 8.32 4.91 0.00 3.07 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 67 W 8.86 4.79 0.00 3.12 3.19 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 68 T 8.06 4.22 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 0.99 0.00 0.00 69 M 8.42 4.48 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 70 W 9.39 4.76 0.00 3.72 3.32 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 71 K 8.49 3.38 0.00 1.63 0.74 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.73 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.81 0.21 7.81 72 L 8.24 4.86 0.00 1.54 1.50 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.23 0.00 0.49 1.47 0.00 3.47 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 74 L 8.24 4.32 0.00 1.71 1.63 0.98 1.37 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 75 F 8.22 4.32 0.00 3.07 3.02 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 0.00 0.00 0.00 76 A 7.73 4.87 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 77 C 8.08 4.26 0.00 3.08 2.92 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 78 A 8.74 4.51 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 79 A 7.68 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 80 P 0.00 4.29 0.00 2.20 2.19 0.00 3.63 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 81 Q 8.06 3.95 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 82 Q 7.88 4.01 0.00 2.15 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 83 V 7.75 3.62 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 1.07 0.00 0.00 1.05 0.00 0.00 84 L 8.24 4.03 0.00 1.89 1.73 0.96 1.43 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 85 D 8.69 4.39 0.00 2.85 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 86 E 8.14 4.14 0.00 2.19 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 0.00 2.64 2.62 0.00 87 V 7.97 3.44 2.21 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 0.98 0.00 0.00 0.94 0.00 0.00 88 R 8.08 3.81 0.00 2.03 1.91 0.00 3.32 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 89 E 8.16 3.92 0.00 2.34 2.27 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 2.44 2.41 0.00 90 C 7.60 2.45 0.00 1.31 2.40 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 91 R 7.39 3.72 0.00 1.85 1.78 0.00 3.08 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.17 0.00 92 S 7.61 4.13 0.00 3.98 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 93 E 7.47 3.95 0.00 1.86 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 2.14 1.47 0.00 94 Y 7.94 4.80 0.00 2.74 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 95 G 7.86 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 96 D 8.00 4.74 0.00 2.78 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 97 C 7.71 5.01 0.00 3.12 3.06 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 98 Y 8.75 4.45 0.00 2.84 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 99 I 9.21 5.46 1.97 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 1.22 0.96 0.94 0.00 0.00 100 R 9.40 4.97 0.00 1.66 1.49 0.00 2.38 0.00 0.00 2.83 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.20 0.00 101 V 8.13 4.63 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 0.76 0.00 0.00 0.81 0.00 0.00 102 A 9.22 5.19 1.17 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 0.00 0.00 103 G 8.68 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 9.16 4.84 0.00 3.18 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 0.00 105 D 8.12 5.06 0.00 2.27 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 0.00 0.00 0.00 0.00 106 N 9.15 4.94 0.00 3.05 3.27 0.00 0.00 6.32 7.81 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 0.00 107 I 8.08 4.01 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.61 0.93 0.00 0.00 108 K 8.20 4.02 0.00 1.73 1.77 0.00 1.88 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.49 7.81 109 E 8.05 3.85 0.00 2.10 1.96 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 2.44 2.66 0.00 110 C 7.27 4.51 0.00 2.81 2.41 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 0.00 111 Q 8.35 4.24 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 112 T 8.72 4.22 3.55 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 0.44 0.00 0.00 113 S 7.33 4.90 0.00 3.99 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 0.00 114 S 8.60 4.94 0.00 3.71 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 0.00 115 F 8.09 5.09 0.00 3.31 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.70 4.32 1.99 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.99 1.08 0.00 0.00 117 V 8.69 4.51 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 0.75 0.00 0.00 0.99 0.00 0.00 118 H 8.09 4.88 0.00 3.12 3.09 0.00 5.62 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 0.00 119 R 8.11 4.54 0.00 1.45 1.44 0.00 3.20 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 1.14 1.47 0.00 120 P 0.00 4.53 0.00 1.86 1.92 0.00 2.20 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 1.53 1.12 0.00 121 G 8.76 3.65 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 0.00 0.00 0.00 122 R 8.48 4.10 0.00 1.99 1.91 0.00 3.07 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.