NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1390 8.0093 121.3622 61.4222 38.7848 174.6584 2 Q 4.3899 8.6882 121.3791 54.5175 32.2498 167.6235 3 V 5.1251 8.3679 122.8537 61.3099 35.1728 175.3242 4 T 5.1204 9.4893 117.2690 60.2647 72.4192 172.5660 5 Q 5.1056 8.4600 119.2427 54.2288 32.0478 172.5710 6 P 4.4405 0.0000 0.0000 62.6229 32.4317 177.6496 7 S 4.1637 8.7321 116.2037 60.9648 63.3985 174.0493 8 V 5.0246 7.6173 116.9423 61.0758 34.7348 174.8120 9 V 4.4421 8.7927 126.1212 61.1935 34.9513 173.8663 10 L 5.0135 8.6250 127.6678 53.1745 42.3411 176.4679 11 A 4.5111 8.7448 126.9045 51.6399 19.3641 177.2518 12 S 4.4179 9.0233 114.9953 57.4239 64.0246 175.7373 13 S 4.1869 8.6031 115.7481 61.4710 62.5749 174.8264 14 H 4.7238 8.2699 116.1286 55.4212 28.6806 175.0223 15 G 3.8572 8.7971 107.6785 47.1682 0.0000 173.0472 16 V 4.8274 7.8933 119.0750 60.6535 34.1548 174.3219 17 A 5.0251 9.2771 129.0226 50.4165 21.7494 174.8104 18 S 5.2948 8.6878 118.2733 57.1958 66.0450 173.6891 19 F 5.0287 8.5183 117.3555 55.4448 41.2634 171.3869 20 P 5.0971 0.0000 0.0000 62.2409 33.2151 175.6872 21 C 5.1952 9.3866 121.5602 55.2432 41.7352 172.5799 22 E 5.5438 9.5363 126.5257 55.0555 32.1988 174.7133 23 Y 6.0301 7.9777 118.5521 55.6159 41.6264 174.4240 24 S 4.8464 8.5717 114.9321 56.4492 67.6786 172.2570 25 P 4.8411 0.0000 0.0000 62.1961 32.3691 175.1565 26 S 5.2170 8.1144 112.2684 57.0669 66.3079 172.6218 27 H 5.0206 9.9222 117.2378 53.9639 32.6813 174.6646 28 N 4.7902 9.2137 117.9085 55.6277 38.4491 176.3168 29 T 4.6301 7.8233 105.7363 61.2074 69.2302 174.0485 30 D 4.9295 7.8824 121.3672 55.8151 41.6976 176.0974 31 E 4.8420 9.4177 121.0752 54.8757 33.5836 175.1348 32 V 4.7458 8.3018 116.7003 59.3436 36.4308 174.3219 33 R 4.7092 8.4199 122.6265 54.5910 32.3252 174.6294 34 V 4.8874 8.8022 126.6536 61.4270 34.5335 174.2784 35 T 5.0557 9.1399 123.8904 61.8116 72.4807 172.7941 36 V 4.8520 8.9529 126.7242 61.3810 33.3675 174.3775 37 L 5.2341 9.1266 127.9774 52.9284 45.3068 175.3503 38 R 4.4112 8.8435 124.2872 54.9394 31.7440 174.4639 39 Q 4.9269 8.6345 128.4971 54.7063 30.3284 174.8176 40 T 4.5918 8.3455 118.4041 60.6861 70.4105 174.4111 41 N 4.3230 8.0336 118.0813 54.7534 37.3873 175.1950 42 D 4.8037 8.7409 124.7357 54.1238 40.1791 174.4014 43 Q 4.7274 7.7085 116.4169 54.1301 31.6766 173.7987 44 M 5.2898 8.2111 117.2035 53.9915 35.9338 175.3242 45 T 4.6171 8.6327 118.4299 61.4738 71.8175 173.0851 46 E 4.3441 8.8716 127.9617 56.6181 29.8298 176.2872 47 V 4.1345 9.0052 128.1413 65.1181 32.5192 173.0718 48 C 4.1522 7.7605 111.8380 55.0088 44.2580 172.0721 49 A 5.2353 7.4829 119.1821 51.9805 21.8008 175.0229 50 T 4.1398 8.3440 112.8417 61.6185 71.4459 172.0518 51 T 4.8092 7.8475 120.6444 61.5040 71.3771 173.8223 52 F 4.9118 9.2867 124.7148 56.0662 41.3717 175.9657 53 T 4.5433 8.9063 113.1018 61.5242 70.0977 173.8503 54 E 4.8453 7.8870 118.3624 54.9490 31.8226 174.7470 55 K 4.8884 8.3962 119.2391 56.0376 33.0260 176.6067 56 N 4.4221 8.6670 113.3461 54.6738 35.8716 174.3987 57 T 4.6888 7.3550 114.4430 61.6134 71.5180 173.6116 58 V 4.3195 8.5917 125.9350 62.3649 32.2186 175.4385 59 G 3.8290 9.3664 116.9767 44.9172 0.0000 173.3809 60 F 4.1409 8.0232 116.2311 58.2866 36.5047 177.5278 61 L 3.9652 7.3888 123.6807 57.8059 41.4517 178.0603 62 D 4.5590 8.0477 115.0808 53.0042 39.6830 175.3745 63 Y 4.5270 8.1273 119.0353 55.8027 39.3293 174.7012 64 P 4.0175 0.0000 0.0000 65.0360 31.6621 177.3989 65 F 5.0547 7.8251 114.6465 57.3250 40.0857 176.0615 66 C 5.3372 8.0735 115.6428 55.5932 45.0498 173.1512 67 S 4.8282 8.2687 115.5385 57.1734 66.5102 172.6559 68 G 4.6832 8.2920 109.7390 46.7319 0.0000 171.5786 69 T 5.4384 8.1232 109.4799 58.8242 73.0562 172.4677 70 F 5.1437 8.0733 122.1214 56.8375 43.1555 172.6082 71 N 4.2183 8.3179 121.3620 51.1851 42.3490 173.1132 72 E 3.9282 8.1792 121.5132 58.0220 30.0127 177.8178 73 S 2.7900 9.5942 118.2755 58.0524 62.1653 169.6649 74 R 5.1212 8.2018 121.3415 55.4851 33.9609 173.4437 75 V 4.7998 9.1552 126.6914 61.2617 34.3822 173.9883 76 N 5.0753 9.0446 126.1763 52.1902 39.5114 174.1482 77 L 4.9260 8.4006 124.7090 53.7229 44.3536 176.3151 78 T 4.9116 8.4539 117.7120 62.0629 72.9451 172.8128 79 I 4.7534 9.1551 127.5142 59.6743 39.9078 175.1735 80 Q 4.8034 9.0651 126.2270 53.7600 32.0253 175.3501 81 G 3.7974 8.7295 104.8510 46.5596 0.0000 173.8312 82 L 4.2382 7.8758 119.3835 54.2168 42.4008 176.7071 83 R 4.6898 9.1282 120.6341 53.6580 33.5973 176.6494 84 A 4.0687 8.5954 121.0671 55.7741 18.2201 180.2870 85 V 3.7613 7.6976 106.8885 63.6883 31.6897 176.6552 86 D 4.6984 8.2314 119.0847 54.8491 41.2106 177.0342 87 T 4.1676 7.6682 110.7239 60.6733 69.6376 175.0575 88 G 3.7135 7.4462 109.6143 46.0685 0.0000 169.7424 89 L 4.8807 7.5092 121.3652 53.9092 44.0497 176.0540 90 Y 4.9950 8.8467 123.7110 56.2438 40.8095 174.7486 91 L 4.9084 9.6929 126.2304 54.0002 43.9098 174.9810 92 C 5.3210 9.3896 123.1853 54.8830 43.7643 172.1082 93 K 5.1266 9.3197 128.0073 54.5720 34.7348 174.6437 94 V 4.7731 8.9202 127.0293 60.9605 34.7687 173.4595 95 E 4.5719 8.8026 128.7338 54.1043 31.9286 174.2809 96 L 4.1579 7.7517 130.2092 54.4017 42.1378 176.7496 97 M 4.1547 8.7502 127.6662 57.8166 32.9379 176.3734 98 Y 4.6238 7.4680 116.4643 55.9997 42.1479 171.9373 99 P 3.3144 0.0000 0.0000 60.5698 32.9349 173.9511 100 P 4.4377 0.0000 0.0000 61.6823 31.8728 174.8560 101 P 4.5912 0.0000 0.0000 62.2313 32.3138 175.6673 102 Y 4.3939 8.4219 120.9746 58.0160 39.6469 174.7070 103 F 4.6725 6.5095 117.6653 55.9823 41.4991 172.8985 104 V 4.7706 8.4255 119.5327 61.4547 34.5822 174.5677 105 G 4.4400 9.0525 112.1854 45.4538 0.0000 171.2242 106 M 5.3307 8.4449 119.6113 53.5160 35.5636 175.0955 107 G 4.2299 8.9735 113.3604 45.7603 0.0000 173.1335 108 N 4.6541 8.8165 115.4831 53.3392 39.0077 176.7399 109 G 4.0014 8.4915 104.8960 45.8723 0.0000 172.7841 110 T 4.9803 8.4654 118.0383 60.6389 71.1997 173.6007 111 Q 4.4876 9.2104 126.8107 55.6270 30.0330 175.0531 112 I 4.5926 8.7126 126.6370 59.8827 39.3172 174.4169 113 Y 4.6024 8.8065 125.7410 56.5517 39.7407 175.5043 114 V 4.4248 8.4100 125.9605 61.4684 30.6811 173.6633 115 I 3.8688 8.5364 125.2454 61.5383 37.7539 176.6099 116 D 4.3472 7.8521 125.3304 52.9888 37.7536 174.7943 117 P 4.4343 0.0000 0.0000 62.8715 31.2760 176.5891 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 I 8.01 4.14 1.64 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.36 0.79 0.00 0.00 2 Q 8.69 4.39 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.18 2.39 0.00 3 V 8.37 5.13 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 1.24 0.00 0.00 1.07 0.00 0.00 4 T 9.49 5.12 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 1.25 0.00 0.00 5 Q 8.46 5.11 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 6 P 0.00 4.44 0.00 2.16 2.03 0.00 3.74 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 7 S 8.73 4.16 0.00 3.91 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 8 V 7.62 5.02 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 0.98 0.00 0.00 1.05 0.00 0.00 9 V 8.79 4.44 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 1.03 0.00 0.00 0.77 0.00 0.00 10 L 8.62 5.01 0.00 1.59 1.64 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.74 4.51 1.26 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 0.00 0.00 12 S 9.02 4.42 0.00 3.95 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 13 S 8.60 4.19 0.00 4.04 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 14 H 8.27 4.72 0.00 3.14 3.36 0.00 5.77 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 15 G 8.80 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 16 V 7.89 4.83 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 0.90 0.00 0.00 0.97 0.00 0.00 17 A 9.28 5.03 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 18 S 8.69 5.29 0.00 3.76 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 19 F 8.52 5.03 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 20 P 0.00 5.10 0.00 2.15 2.11 0.00 3.91 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 2.05 2.02 0.00 21 C 9.39 5.20 0.00 3.05 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 22 E 9.54 5.54 0.00 1.93 1.85 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 2.26 2.27 0.00 23 Y 7.98 6.03 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.57 4.85 0.00 3.72 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 25 P 0.00 4.84 0.00 2.18 2.02 0.00 3.14 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.91 0.00 26 S 8.11 5.22 0.00 4.03 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 27 H 9.92 5.02 0.00 3.39 3.23 0.00 5.82 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 9.21 4.79 0.00 2.76 2.93 0.00 0.00 7.19 7.54 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 29 T 7.82 4.63 4.54 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 1.33 0.00 0.00 30 D 7.88 4.93 0.00 3.03 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 31 E 9.42 4.84 0.00 1.96 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 2.50 2.68 0.00 32 V 8.30 4.75 1.72 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 0.26 0.00 0.00 0.26 0.00 0.00 33 R 8.42 4.71 0.00 1.83 1.68 0.00 3.16 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 34 V 8.80 4.89 2.18 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 1.22 0.00 0.00 1.03 0.00 0.00 35 T 9.14 5.06 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 1.24 0.00 0.00 36 V 8.95 4.85 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 0.97 0.00 0.00 0.91 0.00 0.00 37 L 9.13 5.23 0.00 1.57 1.49 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.84 4.41 0.00 1.37 1.56 0.00 2.78 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.83 0.00 39 Q 8.63 4.93 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.36 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 40 T 8.35 4.59 4.19 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 1.12 0.00 0.00 41 N 8.03 4.32 0.00 2.76 2.83 0.00 0.00 7.51 7.74 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 42 D 8.74 4.80 0.00 2.82 2.86 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 43 Q 7.71 4.73 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 44 M 8.21 5.29 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 45 T 8.63 4.62 4.20 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 0.00 0.00 0.00 1.22 0.00 0.00 46 E 8.87 4.34 0.00 2.01 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 2.38 2.33 0.00 47 V 9.01 4.13 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 0.88 0.00 0.00 1.15 0.00 0.00 48 C 7.76 4.15 0.00 1.85 2.45 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 49 A 7.48 5.24 1.29 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 50 T 8.34 4.14 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 -0.70 0.00 0.00 51 T 7.85 4.81 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 1.09 0.00 0.00 52 F 9.29 4.91 0.00 2.31 2.66 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 53 T 8.91 4.54 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 1.18 0.00 0.00 54 E 7.89 4.85 0.00 2.13 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 2.27 2.44 0.00 55 K 8.40 4.89 0.00 1.82 1.69 0.00 2.00 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.02 7.81 56 N 8.67 4.42 0.00 2.88 2.91 0.00 0.00 6.67 7.54 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 57 T 7.36 4.69 4.59 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 1.31 0.00 0.00 58 V 8.59 4.32 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 0.89 0.00 0.00 1.00 0.00 0.00 59 G 9.37 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 60 F 8.02 4.14 0.00 3.45 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 61 L 7.39 3.97 0.00 1.74 1.75 1.05 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.05 4.56 0.00 2.52 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.13 4.53 0.00 3.28 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 64 P 0.00 4.02 0.00 0.94 1.64 0.00 3.54 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 1.79 1.92 0.00 65 F 7.83 5.05 0.00 3.13 3.22 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 66 C 8.07 5.34 0.00 2.44 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 0.00 0.00 0.00 67 S 8.27 4.83 0.00 3.90 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.29 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.12 5.44 4.22 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 1.28 0.00 0.00 70 F 8.07 5.14 0.00 1.60 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 0.00 0.00 0.00 71 N 8.32 4.22 0.00 2.47 2.32 0.00 0.00 6.82 7.49 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 72 E 8.18 3.93 0.00 1.95 1.73 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 2.31 2.49 0.00 73 S 9.59 2.79 0.00 3.94 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 74 R 8.20 5.12 0.00 1.83 1.70 0.00 3.05 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 75 V 9.16 4.80 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 1.09 0.00 0.00 1.06 0.00 0.00 76 N 9.04 5.08 0.00 2.66 2.73 0.00 0.00 6.55 7.07 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 77 L 8.40 4.93 0.00 0.80 1.07 0.74 0.65 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 78 T 8.45 4.91 4.31 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 1.20 0.00 0.00 79 I 9.16 4.75 1.76 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 1.08 0.56 0.79 0.00 0.00 80 Q 9.07 4.80 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 81 G 8.73 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 82 L 7.88 4.24 0.00 1.77 1.54 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 83 R 9.13 4.69 0.00 1.83 1.78 0.00 3.10 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 84 A 8.60 4.07 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 85 V 7.70 3.76 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 0.73 0.00 0.00 0.92 0.00 0.00 86 D 8.23 4.70 0.00 2.79 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 87 T 7.67 4.17 4.37 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 1.32 0.00 0.00 88 G 7.45 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 89 L 7.51 4.88 0.00 1.68 1.40 nan 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.85 4.99 0.00 2.94 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 91 L 9.69 4.91 0.00 1.45 1.62 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 92 C 9.39 5.32 0.00 3.22 3.09 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 93 K 9.32 5.13 0.00 1.84 1.75 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.56 7.81 94 V 8.92 4.77 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 0.47 0.00 0.00 0.98 0.00 0.00 95 E 8.80 4.57 0.00 1.96 1.64 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 2.14 2.12 0.00 96 L 7.75 4.16 0.00 0.27 0.39 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 97 M 8.75 4.15 0.00 1.97 2.21 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 98 Y 7.47 4.62 0.00 3.07 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 99 P 0.00 3.31 0.00 1.62 1.15 0.00 3.88 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 1.68 1.75 0.00 100 P 0.00 4.44 0.00 2.03 2.04 0.00 3.40 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 101 P 0.00 4.59 0.00 2.27 2.10 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 102 Y 8.42 4.39 0.00 2.89 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 0.00 103 F 6.51 4.67 0.00 2.78 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 0.00 104 V 8.43 4.77 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 0.87 0.00 0.00 0.83 0.00 0.00 105 G 9.05 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 0.00 0.00 0.00 0.00 106 M 8.44 5.33 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 107 G 8.97 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 0.00 108 N 8.82 4.65 0.00 2.74 2.88 0.00 0.00 7.12 7.65 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 0.00 109 G 8.49 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 0.00 0.00 0.00 110 T 8.47 4.98 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 0.65 0.00 0.00 111 Q 9.21 4.49 0.00 2.09 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 112 I 8.71 4.59 1.69 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.59 0.75 0.00 0.00 113 Y 8.81 4.60 0.00 2.98 2.88 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 0.00 0.00 0.00 0.00 114 V 8.41 4.42 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 0.80 0.00 0.00 0.94 0.00 0.00 115 I 8.54 3.87 1.90 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 1.45 0.73 0.92 0.00 0.00 116 D 7.85 4.35 0.00 2.70 2.66 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 0.00 117 P 0.00 4.43 0.00 2.20 2.25 0.00 3.81 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 2.00 1.97 0.00