NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.4297 0.0000 0.0000 62.2781 32.5686 178.6873 4 G 3.4996 9.2884 118.4836 47.8289 0.0000 169.9075 5 V 3.6755 8.5486 115.5701 64.8804 32.1583 176.7546 6 T 3.7219 8.1215 114.8731 66.8019 68.1256 176.0463 7 D 4.3694 8.1386 120.5539 57.4869 40.7099 178.9232 8 R 4.0424 7.8946 116.8974 59.4711 30.2352 178.6465 9 I 4.1322 8.4918 119.0170 64.6331 37.4081 178.3003 10 G 3.8413 8.1796 106.1477 47.7264 0.0000 176.4276 11 Q 4.3395 8.2306 120.1310 56.4853 28.8642 178.0643 *13 I 4.3716 7.6843 120.2827 60.9866 39.3461 177.2198 14 L 4.2169 8.2883 120.2907 57.9108 41.5562 179.1653 15 E 4.0080 8.7271 116.1214 57.1948 29.3116 177.9087 *17 F 5.0455 8.1547 120.1180 58.0686 40.8459 177.3690 18 R 3.9992 8.2477 117.1276 58.2304 30.0016 178.3904 19 T 3.7379 7.2942 107.9429 62.5825 69.2975 173.6592 20 G 3.2871 7.3691 109.1655 45.4352 0.0000 172.4445 *22 C 4.0546 7.4401 114.9369 59.4822 30.3155 174.7179 23 L 4.2296 8.6361 124.5010 53.3780 43.5413 175.1008 24 F 4.9736 8.6206 126.4209 56.4420 40.7283 175.2883 25 S 5.6448 9.1236 117.4706 55.3924 66.4961 172.8970 26 V 4.5691 8.3332 122.1922 60.9985 34.2740 173.6924 27 R 5.0708 8.6937 128.0880 54.6444 32.1762 175.3928 28 S 4.6734 8.8847 121.6514 56.0390 64.9321 173.2080 29 P 4.4571 0.0000 0.0000 64.8638 30.9470 177.6638 30 G 4.1820 7.8173 102.1534 44.9063 0.0000 172.2804 31 G 4.2802 8.1227 108.0764 44.0570 0.0000 172.2291 32 V 4.9808 8.0275 118.1719 59.7324 34.6841 174.2923 33 A 4.7304 9.0228 125.4966 50.3117 21.3587 175.2640 34 E 4.8600 8.7168 121.4964 54.3808 32.1287 175.3695 35 L 4.2556 8.7354 124.8870 52.8316 44.2790 175.3299 36 Y 5.0593 10.1048 120.6538 56.1280 41.4405 174.4329 37 G 4.5487 8.1555 106.9467 43.9943 0.0000 174.0115 38 G 3.4581 8.1663 107.4980 44.2548 0.0000 171.8012 39 E 4.6343 7.9627 118.0934 54.2845 32.3295 174.7687 40 A 4.6141 8.6571 126.9263 50.7178 20.6154 177.0893 41 R 4.1277 8.4062 121.0652 58.8174 31.0701 177.3723 42 K 4.3830 7.4350 118.2826 55.3003 35.5451 174.4757 43 V 4.8370 8.2600 126.5047 61.2955 34.8384 174.1462 44 E 4.6109 8.8417 126.0222 55.2161 33.5932 173.8059 45 I 4.7477 8.4845 127.3337 59.9660 39.3554 174.7748 46 T 4.3737 8.6361 124.9889 62.2061 70.3916 177.1192 47 G 3.9079 8.7500 119.9422 47.1128 0.0000 173.2237 48 T 4.5724 8.9021 113.5929 61.1672 70.5771 172.6650 49 S 5.2204 8.2191 119.1908 57.2057 65.2961 172.7115 50 L 5.0201 8.8674 127.1989 53.7413 44.4537 175.1703 51 T 5.0131 8.9284 121.9707 61.8599 72.5520 172.7265 52 I 4.6710 8.4343 126.9914 59.2911 40.4034 174.3888 53 E 4.7374 8.9258 126.3982 54.6583 32.3200 176.0619 54 R 4.4150 7.8757 124.2842 54.0440 32.5363 177.2064 55 E 3.7333 8.7020 120.5942 59.0390 29.3999 177.1582 56 D 4.9974 7.8134 113.8276 52.2664 40.2878 175.1043 57 W 5.3190 7.4287 115.7659 55.7153 31.1880 173.1329 58 H 5.5871 8.9038 116.4222 54.0659 32.0942 172.4949 59 L 4.8046 9.2482 123.7995 53.5621 44.8482 174.6869 60 H 5.4145 8.8549 122.3917 54.1044 31.8383 172.5917 61 C 4.6992 9.3055 122.8866 57.6299 35.1724 173.1389 62 K 4.5171 8.5569 125.5311 54.7447 31.5769 177.0424 63 L 4.0503 8.8555 126.9708 57.2545 41.9316 179.9310 64 E 4.1168 8.0953 115.7639 58.8580 29.8035 178.0973 65 T 4.0107 7.7109 109.1176 63.4172 69.2035 174.9961 66 V 3.9586 7.5274 122.9515 62.9600 31.9835 174.2971 67 E 4.6800 9.4653 128.5130 57.2201 31.5339 175.9894 68 T 4.7643 7.8129 107.8462 59.6522 72.8525 172.9252 69 V 4.6090 8.1626 122.4156 61.1755 34.5512 173.9299 70 V 4.6091 8.8044 128.6128 61.4077 33.9215 174.5288 71 F 5.2421 8.8364 127.3545 56.4387 39.6557 173.9028 72 D 5.0680 9.4439 124.4045 53.0071 42.9292 176.4932 73 L 5.1664 8.5742 127.1091 54.8073 44.0926 173.7218 74 S 5.0468 8.1777 119.7093 55.8414 67.5475 170.9818 75 P 4.5637 0.0000 0.0000 61.3192 31.9030 176.0265 *81 I 4.0419 8.1679 116.0841 60.7446 38.6233 175.3277 82 R 4.3875 8.7159 123.7228 54.5672 32.7844 174.8600 *84 A 4.6556 8.2961 118.5991 52.2898 20.5517 175.9448 85 V 4.8514 9.1797 120.5627 61.0757 34.4450 174.5960 86 V 4.7970 8.7181 127.5349 61.1929 34.4699 173.9401 87 F 5.1035 9.6811 127.8005 56.4925 40.5354 175.1743 88 R 5.1117 9.1295 123.2665 54.1149 33.2885 176.0753 89 D 4.8848 9.5862 123.2236 53.8242 42.0147 176.8606 90 K 4.0485 8.4016 118.2088 59.0611 32.6581 177.2868 91 H 4.7529 8.0263 115.9446 55.5693 28.7890 175.9315 92 Q 3.8818 7.8276 116.6926 55.9207 26.7779 173.6032 93 A 4.1920 7.4001 122.4034 50.8759 19.0304 175.5546 94 P 5.1732 0.0000 0.0000 62.9747 31.7120 176.7559 95 V 4.0090 8.5958 117.8361 63.5379 32.5029 176.3483 96 L 4.7302 7.6648 119.4521 54.1137 45.5489 173.6816 97 R 5.2321 8.8073 123.8027 54.5854 33.8409 173.4542 98 A 4.5673 9.6243 128.0624 50.0971 21.3964 174.6303 99 A 4.9031 8.4717 125.0206 50.3727 21.3539 175.7236 100 W 4.5386 9.0205 123.0133 56.0589 30.5953 176.0473 101 L 4.7457 8.3193 123.1161 52.2008 43.7101 175.7703 102 P 4.4448 0.0000 0.0000 65.3967 31.5023 178.0927 103 R 4.0319 8.0474 113.5723 58.4149 29.7709 176.8996 104 L 4.4677 7.8286 120.5118 53.3086 41.4698 174.5119 *106 P 4.2617 0.0000 0.0000 62.4155 32.7862 176.7518 107 E 4.0769 8.9095 119.7374 58.9206 29.6711 177.4501 108 T 4.5589 7.5719 112.0174 59.1607 69.6568 172.2692 109 P 4.6163 0.0000 0.0000 61.9876 33.1128 176.1156 110 S 4.3575 8.5358 113.2552 57.7470 64.8905 172.8351 111 P 4.2914 0.0000 0.0000 65.8188 31.1005 177.2799 112 P 4.3556 0.0000 0.0000 65.2525 31.1969 178.6693 113 E 3.8726 7.8331 117.8343 59.4045 29.3878 179.1432 114 Q 4.0879 8.2312 118.1241 59.1318 28.7570 178.9436 115 F 3.3107 8.2304 121.5385 60.4509 39.2512 176.9158 116 W 4.0451 8.8353 129.4959 59.9281 30.3374 177.5094 117 A 3.9941 8.3478 119.5903 55.3424 17.8972 179.2387 118 F 4.1439 8.0849 119.0160 61.7031 39.4878 177.4921 119 T 3.3944 7.4970 109.5209 64.6841 67.8901 175.8617 120 Q 3.5614 7.7833 122.5349 58.9854 28.8101 178.3345 121 R 3.5747 7.2988 117.6442 58.5036 30.3591 177.3613 122 Y 4.6236 7.7436 114.4463 57.3576 39.4688 177.2830 123 I 3.6585 7.2266 113.4155 63.0518 37.4292 176.7243 124 D 4.4387 7.9996 120.2651 57.3493 40.8111 177.2511 125 L 3.9191 7.4588 116.8426 54.9466 41.9045 176.9759 126 P 4.2077 0.0000 0.0000 63.2242 30.7533 176.0671 *128 V 3.7835 7.5412 116.9822 62.7062 32.7361 174.9863 129 V 4.1258 8.3060 125.8664 60.8801 34.2165 174.2710 130 D 4.4415 8.7856 128.8208 53.7253 41.2459 175.4116 131 A 4.8819 8.4195 130.0014 51.6322 19.8390 176.0073 132 R 4.3598 9.0612 119.7581 56.8713 30.9524 177.0472 133 N 4.6467 8.7247 122.8475 52.4105 37.7282 175.0640 134 R 3.5264 8.4819 125.7000 59.0608 29.9794 177.6313 135 Q 3.9935 7.7398 117.2355 58.8367 28.7010 178.5686 136 L 4.1210 7.8302 118.9899 56.9362 41.7510 178.9512 137 V 3.5041 7.4126 117.8893 64.3639 31.5212 175.7099 138 F 4.4040 7.6508 120.4278 57.4730 39.3903 174.8574 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 3 P 0.00 4.43 0.00 2.21 1.63 0.00 3.58 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 4 G 9.29 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 3.68 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 0.94 0.00 0.00 0.97 0.00 0.00 6 T 8.12 3.72 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 1.23 0.00 0.00 7 D 8.14 4.37 0.00 2.90 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 8 R 7.89 4.04 0.00 2.12 2.16 0.00 3.67 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 9 I 8.49 4.13 2.10 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.86 1.08 0.00 0.00 10 G 8.18 3.84 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 0.00 0.00 0.00 11 Q 8.23 4.34 0.00 2.23 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.33 0.00 0.00 0.00 0.00 0.00 2.65 2.57 0.00 *13 I 7.68 4.37 1.99 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.91 0.83 0.00 0.00 14 L 8.29 4.22 0.00 1.94 1.82 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.73 4.01 0.00 2.35 2.34 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 2.90 2.55 0.00 *17 F 8.15 5.05 0.00 3.09 3.34 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 18 R 8.25 4.00 0.00 1.92 1.98 0.00 3.30 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.94 0.00 19 T 7.29 3.74 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 1.15 0.00 0.00 20 G 7.37 3.29 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 0.00 0.00 0.00 *22 C 7.44 4.05 0.00 2.47 2.16 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 23 L 8.64 4.23 0.00 1.40 1.43 -0.16 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.62 4.97 0.00 2.71 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 25 S 9.12 5.64 0.00 3.76 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 26 V 8.33 4.57 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 1.04 0.00 0.00 0.88 0.00 0.00 27 R 8.69 5.07 0.00 1.82 1.78 0.00 3.29 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 28 S 8.88 4.67 0.00 4.02 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 29 P 0.00 4.46 0.00 2.06 2.16 0.00 3.63 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 2.03 2.10 0.00 30 G 7.82 4.18 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 0.00 0.00 0.00 31 G 8.12 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 32 V 8.03 4.98 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 0.94 0.00 0.00 33 A 9.02 4.73 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 34 E 8.72 4.86 0.00 1.85 1.67 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 2.11 2.26 0.00 35 L 8.74 4.26 0.00 0.64 0.13 0.14 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 10.10 5.06 0.00 2.89 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 37 G 8.16 4.55 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 0.00 0.00 0.00 38 G 8.17 3.46 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 39 E 7.96 4.63 0.00 1.87 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 2.17 2.19 0.00 40 A 8.66 4.61 1.18 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 0.00 0.00 41 R 8.41 4.13 0.00 1.67 1.92 0.00 3.31 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 42 K 7.43 4.38 0.00 1.66 1.45 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 1.29 7.81 43 V 8.26 4.84 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 0.81 0.00 0.00 44 E 8.84 4.61 0.00 2.01 1.66 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 2.18 2.26 0.00 45 I 8.48 4.75 1.86 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 1.33 0.77 0.91 0.00 0.00 46 T 8.64 4.37 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 1.20 0.00 0.00 47 G 8.75 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 48 T 8.90 4.57 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 49 S 8.22 5.22 0.00 3.91 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 50 L 8.87 5.02 0.00 1.67 1.41 0.88 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.93 5.01 4.18 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 1.05 0.00 0.00 52 I 8.43 4.67 1.62 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 0.80 0.36 -0.08 0.00 0.00 53 E 8.93 4.74 0.00 1.59 1.51 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 1.77 1.99 0.00 54 R 7.88 4.42 0.00 0.67 1.32 0.00 3.25 0.00 0.00 2.78 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.50 0.00 55 E 8.70 3.73 0.00 1.85 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 2.27 2.28 0.00 56 D 7.81 5.00 0.00 2.82 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 57 W 7.43 5.32 0.00 3.48 3.14 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 58 H 8.90 5.59 0.00 3.04 3.10 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 9.25 4.80 0.00 1.65 1.50 0.82 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 60 H 8.85 5.41 0.00 3.03 3.13 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 9.31 4.70 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.56 4.52 0.00 1.74 1.95 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.45 7.81 63 L 8.86 4.05 0.00 1.80 1.74 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.10 4.12 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 2.28 2.24 0.00 65 T 7.71 4.01 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 66 V 7.53 3.96 2.32 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 0.95 0.00 0.00 1.05 0.00 0.00 67 E 9.47 4.68 0.00 1.92 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 0.00 2.21 2.26 0.00 68 T 7.81 4.76 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 69 V 8.16 4.61 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 0.72 0.00 0.00 0.92 0.00 0.00 70 V 8.80 4.61 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 1.03 0.00 0.00 0.92 0.00 0.00 71 F 8.84 5.24 0.00 2.99 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 72 D 9.44 5.07 0.00 2.67 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 73 L 8.57 5.17 0.00 2.00 1.66 0.84 1.08 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 74 S 8.18 5.05 0.00 3.86 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 75 P 0.00 4.56 0.00 2.05 2.00 0.00 3.70 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 1.98 2.04 0.00 *81 I 8.17 4.04 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 1.43 0.47 0.87 0.00 0.00 82 R 8.72 4.39 0.00 1.80 2.08 0.00 3.06 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 *84 A 8.30 4.66 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 85 V 9.18 4.85 2.19 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 0.79 0.00 0.00 0.93 0.00 0.00 86 V 8.72 4.80 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 0.98 0.00 0.00 0.96 0.00 0.00 87 F 9.68 5.10 0.00 3.10 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 88 R 9.13 5.11 0.00 1.71 1.83 0.00 3.14 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 89 D 9.59 4.88 0.00 2.77 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 90 K 8.40 4.05 0.00 1.82 1.87 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.22 1.02 7.81 91 H 8.03 4.75 0.00 3.22 3.31 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 7.83 3.88 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 93 A 7.40 4.19 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 94 P 0.00 5.17 0.00 2.24 2.14 0.00 3.79 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 2.01 2.01 0.00 95 V 8.60 4.01 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 0.67 0.00 0.00 1.06 0.00 0.00 96 L 7.66 4.73 0.00 1.71 1.42 1.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.81 5.23 0.00 1.90 1.72 0.00 3.08 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 98 A 9.62 4.57 0.89 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 99 A 8.47 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 W 9.02 4.54 0.00 2.94 3.15 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 0.00 101 L 8.32 4.75 0.00 1.68 1.57 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 102 P 0.00 4.44 0.00 2.04 2.13 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 103 R 8.05 4.03 0.00 1.92 2.08 0.00 3.01 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 104 L 7.83 4.47 0.00 1.72 1.69 1.04 0.98 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 *106 P 0.00 4.26 0.00 2.39 2.12 0.00 3.81 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 1.94 2.03 0.00 107 E 8.91 4.08 0.00 1.99 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 2.32 2.25 0.00 108 T 7.57 4.56 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 1.23 0.00 0.00 109 P 0.00 4.62 0.00 2.37 2.12 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 110 S 8.54 4.36 0.00 4.06 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 0.00 111 P 0.00 4.29 0.00 2.17 2.20 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 112 P 0.00 4.36 0.00 2.04 2.04 0.00 3.49 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 113 E 7.83 3.87 0.00 2.14 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 2.07 2.15 0.00 114 Q 8.23 4.09 0.00 2.34 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 115 F 8.23 3.31 0.00 2.65 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 0.00 116 W 8.84 4.05 0.00 3.51 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 0.00 117 A 8.35 3.99 1.46 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 0.00 118 F 8.08 4.14 0.00 3.13 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 0.00 119 T 7.50 3.39 3.84 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 -0.31 0.00 0.00 120 Q 7.78 3.56 0.00 1.87 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 121 R 7.30 3.57 0.00 1.56 1.21 0.00 3.11 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.50 0.00 122 Y 7.74 4.62 0.00 3.14 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 0.00 123 I 7.23 3.66 1.77 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.57 0.77 0.00 0.00 124 D 8.00 4.44 0.00 2.65 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 0.00 125 L 7.46 3.92 0.00 1.87 1.61 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.21 0.00 2.02 2.05 0.00 3.70 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 2.06 0.00 *128 V 7.54 3.78 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 -0.13 0.00 0.00 0.55 0.00 0.00 129 V 8.31 4.13 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 0.86 0.00 0.00 0.87 0.00 0.00 130 D 8.79 4.44 0.00 2.66 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 0.00 131 A 8.42 4.88 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 0.00 132 R 9.06 4.36 0.00 2.27 2.40 0.00 3.14 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 133 N 8.72 4.65 0.00 2.79 2.86 0.00 0.00 6.39 7.64 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 0.00 134 R 8.48 3.53 0.00 1.84 1.84 0.00 3.13 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.55 0.00 135 Q 7.74 3.99 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 136 L 7.83 4.12 0.00 1.62 1.67 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.41 3.50 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 -0.48 0.00 0.00 0.83 0.00 0.00 138 F 7.65 4.40 0.00 2.90 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 * Residues marked with a * may have inaccurate shift predictions.