NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 44 E 4.3212 8.4449 120.2264 56.1493 30.1890 173.9651 45 E 4.4191 8.2313 124.6621 56.1221 33.4153 172.6569 46 L 4.3181 8.9211 121.7307 55.0554 43.8301 176.8031 47 T 5.1296 8.1227 113.4015 64.0711 72.0305 174.2655 48 D 4.6659 9.1528 129.0512 54.1535 38.4275 178.0969 49 E 4.3669 9.3166 120.1520 56.3212 30.4211 176.5235 50 E 3.9402 8.1202 120.6100 59.8866 29.4393 178.8449 51 K 3.8396 8.1256 117.6653 59.7471 31.9423 178.4815 52 E 3.7587 8.1508 119.1474 59.5994 28.9449 179.0467 53 I 3.7117 7.5514 119.1985 64.0635 37.1818 178.3641 54 I 3.8561 7.9336 120.9373 64.4584 37.0616 177.9450 55 N 4.2621 8.9517 118.0913 56.4342 38.2538 177.5248 56 R 3.9197 7.5471 118.9450 59.2911 30.0974 178.9172 57 V 3.5783 7.2122 118.1502 66.2135 31.4207 177.9576 58 I 3.6528 7.9743 119.1610 64.4010 36.9057 177.9510 59 A 4.0108 8.5076 122.0944 55.2992 18.0514 179.3394 60 R 4.1804 7.9705 110.6640 57.4786 29.9233 177.6480 61 A 4.3370 7.3771 121.5009 54.6381 19.8550 179.0023 62 E 4.1120 8.5851 117.4159 58.7642 29.2344 178.5984 63 K 4.3460 7.4843 118.5151 56.8938 32.9412 177.2278 *65 E 4.3289 8.2166 120.3675 56.1521 31.3340 177.8770 66 T 3.7189 7.6459 111.2361 64.4388 68.0595 175.3936 *68 E 4.2636 8.2022 125.0651 56.3725 31.4212 177.9084 69 Q 4.0900 7.9580 117.6661 58.6192 28.6376 178.3459 70 E 4.0179 7.9891 120.1127 58.8984 29.1114 179.0960 71 R 3.8762 7.8650 118.3465 59.6015 30.2990 178.5739 72 I 3.9442 8.0144 119.8034 64.1238 37.0061 178.4603 73 G 3.7113 8.1964 106.8299 48.0664 0.0000 175.8466 74 R 3.9515 7.9467 120.5264 58.8492 30.1731 179.1894 75 L 4.0368 7.6547 118.0862 57.8426 41.6817 179.7985 76 V 3.6843 8.2787 118.5601 66.1298 31.4923 177.8130 77 D 4.3630 8.4347 119.0117 57.3374 40.4298 178.6677 78 R 3.9001 7.8803 118.2131 59.2753 30.1213 178.0277 79 L 4.1328 7.6137 118.6193 58.2379 42.3742 178.3571 80 E 4.1942 8.2457 118.4895 59.6646 29.2283 180.3892 81 T 4.1011 7.7024 114.1160 64.0469 68.9263 176.3868 *83 R 4.3033 7.9854 121.6292 56.3334 31.9908 178.2941 84 K 4.0346 8.1755 115.8261 59.1336 32.0731 177.4572 85 N 4.7226 7.6828 114.7561 52.9247 38.4807 175.2600 86 V 3.6672 7.6161 119.3908 62.9857 31.8401 175.5548 87 A 4.5718 9.0239 129.5959 51.9971 20.9061 176.0453 88 G 4.7260 7.9418 104.1771 43.4811 0.0000 172.4815 89 D 4.7190 8.5323 116.0311 52.2400 40.9875 177.0559 90 G 3.8570 8.2314 108.3072 45.6045 0.0000 174.5430 91 V 4.0257 7.3594 118.3187 63.0747 32.4357 175.9379 92 N 4.7906 8.1425 117.1573 54.1196 41.3216 175.1332 93 R 4.9758 7.7297 115.3305 54.1807 32.2720 174.7330 94 C 3.9434 8.7062 122.8975 58.3345 32.5515 174.6632 95 I 3.3320 8.5800 125.8389 64.3652 38.3982 176.7999 96 L 4.3686 8.2428 122.5292 57.1838 41.1090 179.4476 97 C 3.9796 8.0512 116.3569 62.4623 30.1447 175.0361 98 G 4.0617 8.3029 104.8640 44.4417 0.0000 173.5506 99 E 4.2123 8.1365 120.3425 56.0501 30.6036 176.7239 100 Q 4.6264 8.7267 122.2858 56.2636 29.6512 175.4903 101 L 4.6341 8.6438 121.2567 54.0706 44.0791 175.7567 102 G 3.8860 8.2216 112.1062 46.6031 0.0000 176.2918 *104 L 4.1906 7.8392 117.0846 53.4286 43.1490 177.7708 105 G 3.8051 8.0055 105.5813 45.5080 0.0000 173.9427 106 S 4.4749 7.5959 116.2242 56.3152 62.7242 173.5376 107 A 4.2573 8.2144 127.5197 52.3664 19.4745 175.6734 108 S 4.6601 8.1407 112.3474 57.2264 66.0897 172.9736 109 V 4.2635 8.3839 115.7101 60.0340 36.5271 173.6364 110 V 4.6481 7.9228 121.3433 61.3329 33.5984 174.4384 111 C 4.6160 8.9076 128.6853 58.7738 31.9394 174.3579 112 E 4.0615 9.1138 126.5941 59.0306 29.4215 177.8012 113 D 4.6279 8.1317 117.2511 55.2286 42.2047 176.7625 114 C 4.5208 7.8423 110.9091 56.9422 30.6180 174.7405 115 K 3.9029 8.1372 118.4079 57.1705 30.0908 175.4351 116 K 4.5126 7.3020 117.8783 55.2852 34.6846 175.3761 117 N 5.1100 8.6733 119.5453 53.0129 40.0644 175.0857 118 V 4.8454 8.7032 116.1267 59.4383 36.1974 175.1080 119 C 4.9811 8.8577 118.4348 57.3311 30.7770 174.6979 120 T 4.0981 8.5548 110.0805 64.0845 68.6561 175.5532 121 K 4.1152 8.1417 123.0950 59.5575 32.7275 176.9813 122 C 4.5949 8.0872 115.0768 59.5147 28.0791 172.8883 123 G 4.7614 7.8510 106.3326 44.4072 0.0000 173.1901 124 V 4.2709 8.9920 120.6255 60.4535 34.3560 174.3640 125 E 2.9228 7.9899 130.1683 55.8308 29.5279 175.9791 126 T 4.5502 7.8745 118.3225 60.8458 70.7616 174.5392 127 S 4.5883 8.2044 116.4698 56.5411 65.6555 172.8830 128 N 4.9413 8.8100 120.9170 54.3195 39.2839 175.9306 129 N 5.0237 8.3738 107.9927 51.0465 38.6422 175.1156 130 R 4.3738 7.4810 110.7019 54.5722 32.3009 173.2644 131 P 4.2151 0.0000 0.0000 63.2345 32.3316 175.1200 132 H 4.1107 8.7314 116.5008 56.7905 27.3698 172.2291 133 P 4.5234 0.0000 0.0000 63.0673 32.7652 177.9598 134 V 4.3683 8.2856 114.1974 60.4916 33.6808 175.1892 135 W 5.1660 8.8690 123.1637 55.3705 32.1565 175.0315 136 L 5.2812 8.5775 121.3361 53.0224 45.7015 176.4714 137 C 4.7705 8.7462 117.4631 57.5643 30.9674 174.5924 138 K 3.9629 8.5663 120.5649 59.8884 31.4513 179.8086 139 I 3.7408 7.7007 119.4737 64.6736 37.1526 178.1164 140 C 4.1665 8.0323 116.8023 62.1396 28.0971 175.7831 141 L 3.9588 7.7998 122.0992 58.1160 41.6854 178.5888 142 E 4.0064 8.2111 119.3139 59.0097 29.4758 178.3435 143 Q 4.0332 8.2407 119.9736 59.4787 28.9787 178.7756 144 R 4.0119 8.1408 118.8567 59.3863 30.0397 178.9194 145 E 4.0418 8.1078 117.9530 59.3941 29.5450 179.6412 146 V 3.7938 8.1439 118.4736 65.7131 31.6662 177.6904 147 W 4.3144 8.9306 117.3791 57.9745 28.8337 178.0326 148 K 4.4630 7.9904 119.3625 58.7707 32.1343 179.1015 149 R 4.1264 8.2276 116.5942 58.3966 30.1133 177.7899 150 S 4.4657 8.0691 110.6218 57.8573 64.0237 175.3681 151 G 3.8339 8.2791 109.5739 45.2601 0.0000 175.1957 152 A 3.6907 7.4318 123.0608 53.5370 18.2792 180.0879 153 W 4.4705 8.0908 113.0633 59.4880 28.3320 177.7269 154 F 3.2394 6.4490 120.8088 60.7292 38.5286 176.1001 155 F 4.0231 7.4936 116.4899 56.8621 38.9014 176.1874 156 K 4.4299 7.8488 118.9002 55.6756 29.8386 175.3396 157 G 3.5703 6.0850 106.6933 45.8879 0.0000 171.9090 158 F 4.1821 8.4360 118.8730 55.0898 38.8097 174.4954 159 P 4.4331 0.0000 0.0000 61.5850 32.4431 176.0602 160 K 4.3049 7.9385 116.5062 54.8967 33.5517 176.6319 161 Q 4.1827 8.1930 124.3142 54.7071 27.1874 175.3023 162 V 3.9545 7.6592 119.9519 61.4311 30.5374 174.8787 163 L 4.5875 7.6958 126.2366 51.0760 41.1948 174.2225 164 P 4.4031 0.0000 0.0000 62.6828 32.1010 176.2129 165 Q 4.4765 8.2384 117.4211 53.5709 29.7548 174.3753 166 P 4.4146 0.0000 0.0000 63.0223 31.4344 176.1156 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 44 E 8.44 4.32 0.00 1.97 1.83 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 2.21 2.34 0.00 45 E 8.23 4.42 0.00 1.99 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 2.39 0.00 46 L 8.92 4.32 0.00 1.63 1.63 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.12 5.13 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 1.27 0.00 0.00 48 D 9.15 4.67 0.00 2.78 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 0.00 0.00 0.00 0.00 49 E 9.32 4.37 0.00 2.21 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 0.00 2.31 2.38 0.00 50 E 8.12 3.94 0.00 2.03 2.06 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 2.41 2.74 0.00 51 K 8.13 3.84 0.00 1.79 1.88 0.00 1.68 0.00 0.00 1.98 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.53 1.52 7.81 52 E 8.15 3.76 0.00 2.00 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 0.00 2.31 2.36 0.00 53 I 7.55 3.71 2.00 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 1.64 0.89 0.91 0.00 0.00 54 I 7.93 3.86 1.99 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 0.77 0.91 0.00 0.00 55 N 8.95 4.26 0.00 2.68 3.19 0.00 0.00 7.09 5.69 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 56 R 7.55 3.92 0.00 2.10 1.97 0.00 3.14 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 57 V 7.21 3.58 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 1.03 0.00 0.00 0.98 0.00 0.00 58 I 7.97 3.65 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 1.45 0.69 0.94 0.00 0.00 59 A 8.51 4.01 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 60 R 7.97 4.18 0.00 1.98 2.06 0.00 3.06 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.64 0.00 61 A 7.38 4.34 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 62 E 8.59 4.11 0.00 2.13 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 0.00 2.32 2.46 0.00 63 K 7.48 4.35 0.00 1.82 1.79 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.44 7.81 *65 E 8.22 4.33 0.00 2.19 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 2.25 2.38 0.00 66 T 7.65 3.72 4.41 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 1.21 0.00 0.00 *68 E 8.20 4.26 0.00 2.07 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 2.42 0.00 69 Q 7.96 4.09 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.60 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 70 E 7.99 4.02 0.00 1.97 1.99 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 2.32 2.59 0.00 71 R 7.87 3.88 0.00 1.89 2.10 0.00 3.20 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 72 I 8.01 3.94 1.94 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 1.55 0.61 1.15 0.00 0.00 73 G 8.20 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 74 R 7.95 3.95 0.00 2.06 2.01 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 75 L 7.65 4.04 0.00 1.96 1.81 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.28 3.68 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 1.02 0.00 0.00 0.95 0.00 0.00 77 D 8.43 4.36 0.00 2.72 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 78 R 7.88 3.90 0.00 1.94 2.16 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 1.67 1.66 0.00 79 L 7.61 4.13 0.00 1.85 1.98 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.25 4.19 0.00 2.26 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 0.00 2.34 2.42 0.00 81 T 7.70 4.10 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 1.22 0.00 0.00 *83 R 7.99 4.30 0.00 2.11 2.02 0.00 3.30 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 84 K 8.18 4.03 0.00 1.91 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.58 7.81 85 N 7.68 4.72 0.00 2.69 2.84 0.00 0.00 6.94 7.57 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 86 V 7.62 3.67 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 0.86 0.00 0.00 1.02 0.00 0.00 87 A 9.02 4.57 1.34 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 0.00 0.00 0.00 88 G 7.94 4.73 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 0.00 0.00 0.00 89 D 8.53 4.72 0.00 2.75 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 90 G 8.23 3.86 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 0.00 0.00 0.00 91 V 7.36 4.03 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 0.80 0.00 0.00 0.98 0.00 0.00 92 N 8.14 4.79 0.00 2.67 2.82 0.00 0.00 6.39 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 93 R 7.73 4.98 0.00 1.91 2.00 0.00 3.00 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 94 C 8.71 3.94 0.00 3.04 2.85 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 0.00 0.00 0.00 0.00 95 I 8.58 3.33 1.87 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 1.06 0.92 0.00 0.00 96 L 8.24 4.37 0.00 1.71 1.58 0.94 0.96 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 97 C 8.05 3.98 0.00 3.08 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 98 G 8.30 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 99 E 8.14 4.21 0.00 1.94 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 2.40 2.34 0.00 100 Q 8.73 4.63 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 101 L 8.64 4.63 0.00 1.48 1.51 0.88 0.77 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 0.00 102 G 8.22 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 *104 L 7.84 4.19 0.00 1.66 1.75 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.01 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 0.00 106 S 7.60 4.47 0.00 3.87 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 0.00 107 A 8.21 4.26 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 0.00 108 S 8.14 4.66 0.00 3.75 3.58 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 0.00 109 V 8.38 4.26 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 -0.73 0.00 0.00 0.44 0.00 0.00 110 V 7.92 4.65 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 0.80 0.00 0.00 0.92 0.00 0.00 111 C 8.91 4.62 0.00 3.09 2.81 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 0.00 112 E 9.11 4.06 0.00 2.25 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 0.00 2.38 2.48 0.00 113 D 8.13 4.63 0.00 2.63 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 0.00 114 C 7.84 4.52 0.00 3.06 3.11 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 0.00 115 K 8.14 3.90 0.00 1.92 1.96 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.43 7.81 116 K 7.30 4.51 0.00 1.79 1.71 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.57 7.81 117 N 8.67 5.11 0.00 2.71 2.68 0.00 0.00 7.14 7.34 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 0.00 118 V 8.70 4.85 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 0.85 0.00 0.00 1.03 0.00 0.00 119 C 8.86 4.98 0.00 2.99 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 0.00 120 T 8.55 4.10 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 1.06 0.00 0.00 121 K 8.14 4.12 0.00 1.77 1.90 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.49 7.81 122 C 8.09 4.59 0.00 3.01 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 0.00 123 G 7.85 4.76 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 0.00 124 V 8.99 4.27 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 0.82 0.00 0.00 0.93 0.00 0.00 125 E 7.99 2.92 0.00 1.16 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 1.87 1.52 0.00 126 T 7.87 4.55 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 1.16 0.00 0.00 127 S 8.20 4.59 0.00 3.79 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 0.00 128 N 8.81 4.94 0.00 2.61 2.28 0.00 0.00 6.96 7.79 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 0.00 129 N 8.37 5.02 0.00 2.69 2.75 0.00 0.00 6.58 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 0.00 130 R 7.48 4.37 0.00 1.86 1.85 0.00 3.05 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 131 P 0.00 4.22 0.00 2.09 2.10 0.00 3.84 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 132 H 8.73 4.11 0.00 3.25 3.30 0.00 5.75 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 4.52 0.00 2.22 2.02 0.00 3.93 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 134 V 8.29 4.37 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 0.72 0.00 0.00 0.92 0.00 0.00 135 W 8.87 5.17 0.00 3.39 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 0.00 136 L 8.58 5.28 0.00 1.59 1.52 0.91 0.94 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 0.00 137 C 8.75 4.77 0.00 3.14 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 0.00 138 K 8.57 3.96 0.00 1.89 1.94 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.67 7.81 139 I 7.70 3.74 1.88 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 1.66 0.62 0.92 0.00 0.00 140 C 8.03 4.17 0.00 2.97 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 0.00 141 L 7.80 3.96 0.00 1.80 1.87 0.91 0.63 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 0.00 142 E 8.21 4.01 0.00 2.18 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 0.00 2.35 2.42 0.00 143 Q 8.24 4.03 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 144 R 8.14 4.01 0.00 2.10 2.00 0.00 3.18 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 1.66 1.87 0.00 145 E 8.11 4.04 0.00 2.26 2.06 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 2.57 2.49 0.00 146 V 8.14 3.79 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 1.33 0.00 0.00 1.13 0.00 0.00 147 W 8.93 4.31 0.00 3.53 3.43 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 0.00 148 K 7.99 4.46 0.00 1.97 1.85 0.00 1.57 0.00 0.00 1.58 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.82 7.81 149 R 8.23 4.13 0.00 1.96 2.07 0.00 3.19 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 150 S 8.07 4.47 0.00 4.09 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 0.00 151 G 8.28 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 0.00 0.00 0.00 152 A 7.43 3.69 -0.59 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 0.00 0.00 153 W 8.09 4.47 0.00 3.66 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 0.00 154 F 6.45 3.24 0.00 1.51 1.95 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 0.00 155 F 7.49 4.02 0.00 3.20 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 0.00 156 K 7.85 4.43 0.00 1.94 2.01 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.28 7.81 157 G 6.09 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 0.00 158 F 8.44 4.18 0.00 2.87 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 0.00 159 P 0.00 4.43 0.00 1.79 1.68 0.00 3.18 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.44 0.00 160 K 7.94 4.30 0.00 1.66 1.71 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.29 1.38 7.81 161 Q 8.19 4.18 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.27 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 162 V 7.66 3.95 2.06 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 0.79 0.00 0.00 0.91 0.00 0.00 163 L 7.70 4.59 0.00 1.63 1.56 0.91 1.10 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 0.00 164 P 0.00 4.40 0.00 2.17 2.09 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 165 Q 8.24 4.48 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.12 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 166 P 0.00 4.41 0.00 2.17 2.03 0.00 4.02 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 1.98 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.