NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1X M 4.7029 8.2516 120.4299 55.4802 32.4284 174.8087 1 E 4.1562 8.3281 130.5791 54.5188 28.2096 173.0811 2 Q 4.5960 8.7567 119.7959 55.3647 29.7339 176.2005 3 L 4.5242 8.4946 125.1678 54.3124 43.3558 176.3836 4 T 4.5855 8.4120 109.7664 59.3900 71.3108 175.2585 5 K 3.5616 8.7276 122.7003 60.1317 32.3043 179.1586 6 C 4.5085 8.0477 114.1349 58.7518 42.1166 175.7435 7 E 4.0545 7.6672 120.0815 59.2112 29.2116 179.0532 8 V 3.4933 8.0017 118.7091 65.7444 31.2587 177.7519 9 F 4.0146 8.4186 120.4933 61.0596 38.9480 176.8033 10 R 4.2947 7.8523 114.3841 58.9299 29.4629 178.6120 11 E 4.0207 8.2282 118.5502 58.6507 29.7372 178.2426 12 L 4.3162 7.8009 117.2332 54.3147 41.7570 178.5028 13 K 4.0059 7.5921 119.8617 60.2192 32.4217 178.2082 14 D 4.4648 7.8727 117.0406 55.8879 40.9410 176.7732 15 L 4.1316 7.9342 118.3848 54.9104 42.4490 177.1320 16 K 3.8947 7.6471 121.7277 57.6712 32.6788 178.1418 17 G 4.0694 9.0078 113.9981 46.2294 0.0000 172.8938 18 Y 4.0354 7.8324 122.0423 58.6389 38.9058 176.2984 19 G 3.8087 8.8248 114.7599 46.0011 0.0000 173.7735 20 G 3.8109 8.2599 106.0456 45.3152 0.0000 173.5764 21 V 4.3166 7.4764 120.2791 60.8306 32.9545 176.0067 22 S 4.9104 8.3407 122.2961 57.0050 65.8627 175.4056 23 L 3.8662 8.2085 121.0834 57.6223 41.3965 177.8663 24 P 4.5173 0.0000 0.0000 65.9584 31.2192 178.5116 25 E 3.8481 7.8196 116.2177 58.9292 29.1962 179.4330 26 W 4.1316 7.7840 118.8847 59.5992 29.0142 178.8629 27 V 3.7689 7.9919 118.2943 65.7813 31.0595 177.3906 28 C 2.4500 7.5022 117.8948 58.9672 38.5053 175.5051 29 T 3.7555 7.6531 117.5773 66.9722 67.9903 176.7414 30 T 3.9056 8.3032 111.9474 64.5463 68.6884 176.0849 31 F 3.2221 7.8101 123.4526 61.3743 39.1878 176.8447 32 H 4.1046 7.6834 112.8534 57.9539 28.5313 177.7285 33 T 4.2464 7.3917 117.6205 65.6680 68.8210 175.7104 34 S 4.4571 7.7884 111.9217 56.9850 64.1752 174.8119 35 G 3.5274 8.4212 107.5006 46.4879 0.0000 173.7039 36 Y 3.7444 7.6487 114.5743 58.8454 34.4093 168.5775 37 D 4.8254 7.9056 121.6328 52.6847 40.7350 176.8950 38 T 4.1873 8.2793 116.6044 63.3880 69.0442 176.4256 39 Q 4.0823 8.9374 121.1189 59.1368 29.7912 175.6096 40 A 3.8041 7.1029 114.3576 47.1504 19.2407 175.6971 41 I 4.9348 8.2909 122.1206 59.4303 41.2873 175.6798 42 V 4.1793 8.3670 124.8270 61.0015 34.1000 173.8627 43 Q 4.5882 8.5777 129.7667 54.1463 29.6899 173.6860 44 N 4.9153 9.2618 123.5731 53.8646 39.8197 175.1908 45 N 4.2226 9.3305 115.4381 54.5400 37.5311 174.5253 46 D 5.0301 8.6492 116.1286 53.1396 42.6786 176.2946 47 S 4.8630 7.4792 111.0556 57.6474 66.0115 172.9949 48 T 5.0623 9.1059 117.8954 62.0694 72.8839 172.6111 49 E 5.0476 8.7212 125.1613 54.7884 32.1416 174.6069 50 Y 5.1001 8.9383 121.5403 57.4083 41.1286 177.7158 51 G 4.4889 8.8251 110.4226 45.0281 0.0000 173.5578 52 L 4.0798 8.7406 119.3187 57.6006 41.9694 179.1370 53 F 4.8719 8.2295 112.9843 56.9316 39.5335 175.3237 54 Q 3.4359 7.8200 118.9474 56.8032 26.9064 174.8811 55 I 3.9456 7.5591 117.7940 61.1502 37.5402 176.2329 56 N 5.2630 9.5612 124.3720 52.6825 37.9895 175.5546 57 N 5.4648 8.7520 116.8918 53.2823 38.3844 176.2764 58 K 4.0915 8.3660 121.2996 59.3102 32.8668 178.1723 59 I 3.8736 7.7355 118.1991 61.5785 38.4087 177.2186 60 W 4.5892 7.0936 120.6027 57.4831 29.8943 173.1071 61 C 5.5004 8.0257 111.8145 53.5059 43.5349 172.1647 62 K 4.6077 8.4265 122.4592 55.7245 32.8250 175.2305 63 D 5.1193 8.3882 127.1578 51.2866 42.2866 177.0735 64 D 4.5769 8.8538 119.2896 57.4561 41.0251 178.1135 65 Q 4.0505 8.0815 118.9489 58.7328 29.2687 175.6500 66 N 4.6488 8.5087 114.9266 52.7899 39.8868 172.5233 67 P 4.4721 0.0000 0.0000 63.6797 31.9943 177.8406 68 H 4.2233 7.7645 114.5183 56.6630 29.0472 175.5292 69 S 4.2559 7.1978 114.2758 58.7449 62.4489 174.7359 70 S 4.0176 8.3883 122.7632 59.8965 63.4336 173.9504 71 N 4.3238 8.1348 118.9945 54.5018 37.5379 175.1422 72 I 3.7556 7.7637 120.4801 64.8622 37.7603 177.8564 73 C 4.4791 8.3548 115.8501 57.7180 40.6352 173.2933 74 N 4.1334 7.7725 115.3162 52.7264 35.7206 172.9258 75 I 4.0804 8.0054 116.9112 59.7303 42.2371 173.1947 76 S 4.3370 8.0310 120.4126 57.9419 63.0131 175.8931 77 C 3.7221 8.0425 123.9567 59.8409 40.8527 176.0715 78 D 4.1101 7.6580 120.1431 57.0770 40.1858 178.2655 79 K 4.2985 7.4741 118.5517 57.5828 32.1003 178.2476 80 F 5.0943 7.8092 117.7214 58.2184 39.0380 176.5361 81 L 5.1970 8.0777 117.2655 53.9944 42.5364 176.4213 82 D 4.7676 7.7412 119.1281 52.1948 40.6570 176.7219 83 D 4.5690 8.6372 117.6150 54.1997 39.1596 175.4852 84 D 4.7400 8.5366 120.7643 52.8842 41.4824 175.8860 85 L 4.5973 8.2365 125.7621 55.1180 42.5892 179.1473 86 T 3.8532 8.0124 117.7114 66.7355 68.4033 175.7878 87 D 4.6501 8.0376 119.1088 55.3081 40.6182 178.2255 88 D 4.2863 8.2611 120.8538 57.5113 40.8918 178.4069 89 I 3.3000 7.6723 119.9877 64.2427 37.0324 178.7019 90 V 3.4682 7.2933 118.6279 64.8125 31.3129 177.7371 91 C 4.2694 7.7672 117.8276 59.0268 42.8176 175.7537 92 V 3.2201 7.5722 120.3966 65.8279 30.5891 178.2752 93 K 3.6693 7.7593 118.0307 58.9436 31.4227 179.0870 94 K 3.9192 7.6526 117.7478 58.3433 32.1760 179.1486 95 I 3.2663 7.3508 120.5636 63.6773 36.8293 178.0069 96 L 4.2265 8.2735 120.3101 58.1691 41.2936 179.2989 97 D 4.5085 7.7143 117.1385 56.3576 40.8233 178.2926 98 K 4.3913 7.4147 117.8652 57.9141 32.9172 177.6531 99 V 4.2198 8.6786 116.2545 61.7367 33.8384 176.4115 100 G 4.2689 8.1648 103.9746 45.5591 0.0000 173.7049 101 I 4.1004 8.3629 118.0520 63.5999 37.8574 177.0677 102 N 4.5803 8.2192 115.9886 55.5114 38.5519 175.3094 103 Y 3.8726 8.2164 119.6859 59.4596 39.0655 175.3392 104 W 4.4809 8.5923 121.1520 54.9210 28.7582 176.4891 105 L 4.0111 8.4211 124.9031 57.7938 40.9668 179.2137 106 A 4.1268 8.0835 119.9054 54.8522 18.3729 178.7316 107 H 3.8884 8.2395 117.3885 59.5898 29.7270 177.3553 108 K 4.0010 8.1602 120.8650 58.3386 32.2464 178.4069 109 A 4.0980 7.4676 119.2743 54.7506 18.5783 178.3015 110 L 4.5422 7.8971 113.7769 54.8594 43.2541 176.1618 111 C 5.0715 7.8110 115.6632 57.1688 38.5618 174.5444 112 S 4.6896 8.0163 112.1411 57.9026 63.7479 173.8038 113 E 4.5975 7.7869 116.8226 55.3621 32.3555 174.2411 114 K 3.9174 8.7496 116.0010 57.4932 30.2259 177.5340 115 L 4.3022 8.0507 119.8112 58.0329 41.9472 179.2292 116 D 4.6310 8.1388 114.9401 54.8853 39.6004 176.9447 117 Q 4.0568 7.9618 120.1491 58.1726 29.0198 177.2423 118 W 4.6553 8.4282 116.5400 56.8098 28.9310 176.3305 119 L 4.6170 7.3173 118.2737 54.4700 41.9503 175.5937 120 C 4.6889 7.2965 116.0512 55.2643 43.7816 174.4404 121 E 4.0975 8.5801 121.9973 56.6021 29.1982 176.3123 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 1X M 8.25 4.70 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.43 0.00 1 E 8.33 4.16 0.00 2.25 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 2.38 2.50 0.00 2 Q 8.76 4.60 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 3 L 8.49 4.52 0.00 1.45 1.52 1.07 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.41 4.59 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 1.29 0.00 0.00 5 K 8.73 3.56 0.00 1.91 1.90 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.75 1.96 7.81 6 C 8.05 4.51 0.00 2.98 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 7 E 7.67 4.05 0.00 2.05 1.93 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 2.30 2.28 0.00 8 V 8.00 3.49 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 0.91 0.00 0.00 0.52 0.00 0.00 9 F 8.42 4.01 0.00 3.24 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 10 R 7.85 4.29 0.00 2.21 2.26 0.00 2.85 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.69 0.00 11 E 8.23 4.02 0.00 1.92 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 2.62 2.46 0.00 12 L 7.80 4.32 0.00 1.75 1.50 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.59 4.01 0.00 1.94 2.09 0.00 1.31 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.44 7.81 14 D 7.87 4.46 0.00 2.57 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 15 L 7.93 4.13 0.00 1.39 1.33 -0.15 0.36 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 16 K 7.65 3.89 0.00 1.71 1.78 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.41 7.81 17 G 9.01 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 0.00 0.00 0.00 18 Y 7.83 4.04 0.00 3.06 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 19 G 8.82 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 20 G 8.26 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 21 V 7.48 4.32 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 0.16 0.00 0.00 0.83 0.00 0.00 22 S 8.34 4.91 0.00 4.10 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 23 L 8.21 3.87 0.00 1.40 0.76 0.40 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.52 0.00 2.26 2.53 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.53 0.00 25 E 7.82 3.85 0.00 2.05 1.76 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 2.23 2.29 0.00 26 W 7.78 4.13 0.00 3.39 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 27 V 7.99 3.77 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 1.42 0.00 0.00 1.13 0.00 0.00 28 C 7.50 2.45 0.00 1.23 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 29 T 7.65 3.76 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 1.05 0.00 0.00 30 T 8.30 3.91 4.17 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 1.06 0.00 0.00 31 F 7.81 3.22 0.00 2.83 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 32 H 7.68 4.10 0.00 3.18 3.30 0.00 5.70 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 33 T 7.39 4.25 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 34 S 7.79 4.46 0.00 3.92 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 35 G 8.42 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.65 3.74 0.00 3.29 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 37 D 7.91 4.83 0.00 2.71 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 0.00 38 T 8.28 4.19 4.30 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 1.22 0.00 0.00 39 Q 8.94 4.08 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.40 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 40 A 7.10 3.80 1.28 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 41 I 8.29 4.93 1.82 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 1.31 0.91 0.57 0.00 0.00 42 V 8.37 4.18 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 0.90 0.00 0.00 0.94 0.00 0.00 43 Q 8.58 4.59 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 44 N 9.26 4.92 0.00 2.60 1.74 0.00 0.00 7.18 7.70 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 45 N 9.33 4.22 0.00 2.71 2.55 0.00 0.00 6.75 8.47 0.00 0.00 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 D 8.65 5.03 0.00 2.67 2.65 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 47 S 7.48 4.86 0.00 3.99 3.94 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 48 T 9.11 5.06 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 0.66 0.00 0.00 49 E 8.72 5.05 0.00 1.99 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 2.43 2.29 0.00 50 Y 8.94 5.10 0.00 3.25 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 51 G 8.83 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 0.00 0.00 0.00 0.00 52 L 8.74 4.08 0.00 1.50 1.45 0.90 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.23 4.87 0.00 3.09 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 54 Q 7.82 3.44 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 55 I 7.56 3.95 1.75 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.57 0.85 0.00 0.00 56 N 9.56 5.26 0.00 3.12 3.18 0.00 0.00 6.31 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 57 N 8.75 5.46 0.00 3.17 3.34 0.00 0.00 6.89 7.25 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 58 K 8.37 4.09 0.00 1.84 1.95 0.00 1.66 0.00 0.00 1.97 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.42 7.81 59 I 7.74 3.87 0.56 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.56 0.17 0.00 0.00 60 W 7.09 4.59 0.00 3.70 3.17 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 61 C 8.03 5.50 0.00 3.07 3.42 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 62 K 8.43 4.61 0.00 1.98 1.68 0.00 1.54 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.39 7.81 63 D 8.39 5.12 0.00 2.78 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 64 D 8.85 4.58 0.00 2.71 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 65 Q 8.08 4.05 0.00 2.09 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 66 N 8.51 4.65 0.00 2.75 2.74 0.00 0.00 7.06 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 67 P 0.00 4.47 0.00 2.06 1.99 0.00 3.33 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 68 H 7.76 4.22 0.00 3.13 3.34 0.00 5.93 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.20 4.26 0.00 3.88 3.87 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 0.00 0.00 0.00 70 S 8.39 4.02 0.00 3.93 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 71 N 8.13 4.32 0.00 2.88 2.72 0.00 0.00 7.04 7.44 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 72 I 7.76 3.76 1.93 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 1.21 0.61 1.03 0.00 0.00 73 C 8.35 4.48 0.00 3.36 3.33 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 74 N 7.77 4.13 0.00 2.85 2.81 0.00 0.00 6.72 7.28 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 75 I 8.01 4.08 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.94 0.67 0.00 0.00 76 S 8.03 4.34 0.00 3.76 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 77 C 8.04 3.72 0.00 2.16 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 0.00 0.00 0.00 78 D 7.66 4.11 0.00 2.63 2.65 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 79 K 7.47 4.30 0.00 1.62 2.00 0.00 1.52 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.22 7.81 80 F 7.81 5.09 0.00 3.28 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 81 L 8.08 5.20 0.00 1.87 1.80 1.13 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.74 4.77 0.00 2.92 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 83 D 8.64 4.57 0.00 2.80 2.84 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 84 D 8.54 4.74 0.00 2.61 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 85 L 8.24 4.60 0.00 1.76 1.74 0.88 0.96 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 86 T 8.01 3.85 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 1.19 0.00 0.00 87 D 8.04 4.65 0.00 2.91 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 88 D 8.26 4.29 0.00 3.07 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 89 I 7.67 3.30 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.66 0.64 0.00 0.00 90 V 7.29 3.47 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 0.79 0.00 0.00 0.87 0.00 0.00 91 C 7.77 4.27 0.00 3.18 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 92 V 7.57 3.22 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 0.22 0.00 0.00 -0.73 0.00 0.00 93 K 7.76 3.67 0.00 1.78 1.49 0.00 1.29 0.00 0.00 1.27 0.00 0.00 2.68 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.30 0.77 7.81 94 K 7.65 3.92 0.00 1.98 1.91 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.57 7.81 95 I 7.35 3.27 1.57 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.11 -0.65 0.00 0.00 96 L 8.27 4.23 0.00 1.91 1.95 1.33 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 97 D 7.71 4.51 0.00 2.56 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 98 K 7.41 4.39 0.00 2.11 2.08 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.88 1.91 7.81 99 V 8.68 4.22 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 0.95 0.00 0.00 1.30 0.00 0.00 100 G 8.16 4.27 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 0.00 101 I 8.36 4.10 1.73 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.89 0.82 0.00 0.00 102 N 8.22 4.58 0.00 2.83 2.91 0.00 0.00 6.89 7.46 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 0.00 103 Y 8.22 3.87 0.00 2.61 2.30 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 0.00 104 W 8.59 4.48 0.00 3.66 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 0.00 105 L 8.42 4.01 0.00 1.66 1.72 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.08 4.13 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 0.00 107 H 8.24 3.89 0.00 3.11 3.36 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.16 4.00 0.00 1.80 1.81 0.00 1.66 0.00 0.00 0.64 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.33 7.81 109 A 7.47 4.10 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 0.00 110 L 7.90 4.54 0.00 1.52 1.50 0.75 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.81 5.07 0.00 2.84 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 S 8.02 4.69 0.00 3.80 3.77 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 0.00 113 E 7.79 4.60 0.00 2.04 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 0.00 2.22 2.41 0.00 114 K 8.75 3.92 0.00 2.05 1.90 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.48 7.81 115 L 8.05 4.30 0.00 1.78 1.82 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.14 4.63 0.00 2.82 2.84 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 0.00 117 Q 7.96 4.06 0.00 1.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 118 W 8.43 4.66 0.00 3.45 3.38 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 0.00 119 L 7.32 4.62 0.00 1.70 1.55 0.96 1.00 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 0.00 120 C 7.30 4.69 0.00 1.54 2.50 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 0.00 121 E 8.58 4.10 0.00 1.87 1.79 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 2.18 2.17 0.00