NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.3174 8.3144 120.1343 56.3651 33.6645 175.5118 6 T 4.2070 8.9096 116.4084 60.2849 69.4614 174.6618 7 F 4.0870 10.5212 126.7102 61.5705 39.5168 176.9509 8 K 4.0603 8.2486 115.9344 59.2505 31.9392 178.6565 9 Q 4.1852 7.8253 116.7844 57.8541 28.9692 177.7169 10 R 3.9912 7.5373 119.5207 57.5132 30.6048 176.6350 11 R 4.5711 6.8926 115.8676 53.3934 33.3535 176.2147 12 S 4.3940 8.2921 116.2747 58.0145 65.1287 175.0970 13 F 4.1015 8.8589 124.5962 61.6314 39.0946 176.9542 14 E 3.9326 8.3712 118.2945 59.5536 29.4412 178.7332 15 Q 4.0467 7.9616 117.6422 58.8604 28.7348 178.9889 16 R 4.3669 8.2949 119.4926 59.3864 30.2055 179.1450 17 V 3.8424 7.6103 119.5134 65.3711 31.4388 177.6991 18 E 3.9231 8.1315 119.0197 59.2706 29.5056 178.4788 19 D 4.4170 8.3834 119.1241 57.4357 40.9604 178.9411 20 V 3.2370 7.6594 118.6049 65.8824 31.4851 178.2148 21 R 3.8764 7.9881 117.7859 59.2249 29.8275 178.8190 22 L 3.9765 7.9963 120.0405 58.2433 42.0304 179.1250 23 I 3.7592 7.8726 119.7774 64.2647 36.7275 178.6577 24 R 3.9175 7.6799 118.4758 59.0974 29.9181 178.6819 25 E 4.0876 7.8113 117.0463 59.4660 29.6892 178.8757 26 Q 4.2017 8.1226 116.2647 57.2300 30.6080 176.1590 27 H 4.9153 8.3319 116.8485 53.0964 29.6609 171.9333 28 P 4.2697 0.0000 0.0000 65.9039 31.9945 177.9772 29 T 4.3084 7.8747 105.4252 61.6535 69.2067 173.6288 30 K 5.0234 7.8154 121.4730 55.0370 34.8794 175.5802 31 I 4.0253 8.4131 124.6759 59.0689 39.2387 173.2905 32 P 4.7558 0.0000 0.0000 62.7701 32.2059 175.1549 33 V 4.9824 9.3338 125.4688 60.9313 34.8329 174.0982 34 I 4.6463 8.3169 127.8277 59.5020 39.3036 174.5071 35 I 5.0667 8.7686 128.2423 59.6280 39.4697 174.9940 36 E 4.8914 9.2006 126.0146 54.3417 33.7480 175.1950 37 R 3.2349 8.3061 122.3379 55.1604 31.4803 175.4430 38 Y 4.2037 8.3743 127.1100 57.8058 39.1831 177.4678 39 K 3.7032 8.5422 125.8141 59.0671 32.2892 177.9672 40 G 3.4912 5.3800 104.8136 45.3411 0.0000 173.5075 41 E 4.1785 7.6239 122.1041 56.3493 30.1221 176.1755 42 K 4.4827 8.6233 123.6431 58.3937 34.8130 177.6195 43 Q 4.1329 8.2845 117.2730 58.5668 29.0033 176.5305 44 L 4.1921 8.5185 118.1602 54.2380 42.1186 175.7951 45 P 4.6688 0.0000 0.0000 62.0103 32.6736 175.3882 46 V 4.2931 7.9702 117.8687 61.6280 32.5017 175.4756 47 L 4.4905 7.8173 126.0306 54.1598 42.2578 177.2879 48 D 4.5147 8.6507 119.8517 55.6538 39.6364 175.7920 49 K 4.6170 7.4774 117.2112 56.0698 36.0764 175.2619 50 T 4.6314 8.4160 113.2954 64.5398 70.7715 174.9306 51 K 4.7990 7.6219 118.9961 55.3236 34.4526 175.9749 52 F 4.7920 9.8408 122.4888 55.6517 43.1864 174.2565 53 L 4.9589 8.6449 122.1073 53.4130 42.8343 175.6872 54 V 4.3214 8.3831 125.5416 60.1420 33.3047 173.3335 55 P 4.6174 0.0000 0.0000 63.4107 31.4824 176.7500 56 D 4.5160 8.9690 123.0810 54.9905 39.3148 176.4884 57 H 4.6448 7.8519 114.5115 56.1644 29.7669 175.7844 58 V 3.8245 7.1383 115.3389 60.9088 32.4003 175.6121 59 N 5.1236 8.2632 121.1760 52.0134 40.3274 176.0718 60 M 4.0817 8.3033 119.4638 58.3429 31.8378 179.1187 61 S 4.0531 8.3372 113.5915 61.4721 62.5534 175.9251 62 E 3.8979 8.5766 121.9902 59.0944 29.2772 178.4038 63 L 3.8951 7.8599 120.3325 58.0770 42.0337 179.0215 64 I 3.6957 7.9438 119.8514 64.3933 37.1109 178.4764 65 K 3.8170 7.8719 119.1285 59.4093 31.8318 179.4445 66 I 3.6047 7.8954 120.3366 64.4201 37.0702 178.5801 67 I 3.4266 7.7690 120.8440 64.3552 36.9774 178.6608 68 R 3.3422 7.6814 119.1707 59.1889 29.8186 179.4080 69 R 3.8474 7.8477 117.7991 59.1027 29.8232 179.0717 70 R 3.9157 7.7017 117.7187 58.9376 30.1676 177.8085 71 L 4.1269 7.6861 116.5753 54.2364 42.3833 176.3724 72 Q 3.3988 7.5606 116.9598 56.7765 26.6383 173.7070 73 L 4.3440 7.5307 116.2724 54.1166 43.1019 176.4496 74 N 4.9190 8.1628 116.6363 50.6494 39.5422 175.6824 75 A 3.9429 8.5414 122.1082 54.8429 18.4931 178.4930 76 N 4.5925 7.9284 111.5262 54.7141 39.3680 175.6779 77 Q 4.1130 8.1161 118.1900 55.2251 29.1939 176.0271 78 A 4.1275 8.4190 126.0013 52.1948 19.2411 176.3540 79 F 4.6646 7.5717 122.1523 56.8263 42.6352 173.5532 80 F 4.7139 8.2741 124.2227 55.3515 42.7805 173.5468 81 L 5.0773 8.5136 124.6082 53.2850 44.2262 175.3340 82 L 4.7403 9.3327 127.4358 53.5481 44.0859 175.7412 83 V 4.6712 8.6257 122.5632 61.5744 34.3872 175.0778 84 N 4.3442 10.2775 126.8978 54.5861 37.8434 175.0849 85 G 4.0496 8.7782 104.7546 45.0215 0.0000 173.3267 86 H 5.0304 7.8524 114.4919 52.9763 31.6380 173.2567 87 S 4.5205 8.3495 114.4004 58.2165 63.5867 173.7792 88 M 4.3083 8.2840 121.5273 55.2001 32.6212 177.0491 89 V 3.8064 8.5849 123.7652 65.1519 32.1014 176.3584 90 S 4.6936 7.7245 111.9286 56.5257 65.5131 173.7871 91 V 4.0013 8.3784 122.2793 63.4665 31.8116 176.6946 92 S 4.6125 7.8106 112.0904 59.1533 63.9131 174.3638 93 T 4.0871 7.5847 119.6805 62.7301 69.0217 172.0728 94 P 4.5613 0.0000 0.0000 62.2290 32.1164 177.3134 95 I 3.6871 8.9385 123.6235 64.1548 37.4112 178.3387 96 S 4.2363 8.0460 114.8570 61.3568 62.9474 176.2493 97 E 4.0215 8.4362 122.4339 59.1344 29.2749 179.2030 98 V 3.7319 7.8554 117.8401 66.1189 31.5630 177.1067 99 Y 4.1438 8.4966 119.5537 61.0473 38.4622 177.9792 100 E 3.9184 7.8676 117.8457 58.8154 29.6338 178.6424 101 S 4.6464 7.6185 110.3126 58.2632 64.3112 174.5237 102 E 4.6254 7.9582 120.0422 55.6091 30.4510 176.4297 103 R 3.9668 7.5673 116.3207 55.9559 30.0705 176.1838 104 D 4.7610 9.0433 120.2731 53.6039 42.1347 177.1400 105 E 4.1567 8.8173 121.8057 59.3163 29.6044 178.2156 106 D 4.2150 8.8945 117.3021 53.8920 39.8472 177.6004 107 G 3.9911 8.0742 108.3857 45.3808 0.0000 174.1183 108 F 4.7143 9.0242 118.7678 56.9132 41.0471 174.7312 109 L 5.0448 8.7739 123.1100 53.8213 43.7852 174.7539 110 Y 4.8696 8.8054 124.9009 57.6667 39.6300 174.7429 111 M 5.4643 9.4524 123.0351 53.6327 36.6811 174.5886 112 V 5.6636 9.0750 120.8904 60.2445 35.3869 173.7921 113 Y 5.7549 8.2759 123.3686 54.6012 41.7719 173.7644 114 A 5.0312 8.0023 120.4093 51.4832 22.4125 177.5853 115 S 4.3202 9.8730 116.1595 60.6473 63.1935 175.4019 116 Q 4.7259 7.9605 118.0599 53.7574 31.0447 175.1918 117 E 3.7938 7.1480 118.4101 56.2739 29.8023 176.1072 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 5 K 8.31 4.32 0.00 1.76 1.81 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.43 7.81 6 T 8.91 4.21 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 1.37 0.00 0.00 7 F 10.52 4.09 0.00 3.23 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 8 K 8.25 4.06 0.00 1.80 1.89 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.61 1.60 7.81 9 Q 7.83 4.19 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.09 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 10 R 7.54 3.99 0.00 2.00 1.77 0.00 3.20 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 11 R 6.89 4.57 0.00 1.37 1.60 0.00 3.13 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.79 0.00 12 S 8.29 4.39 0.00 4.10 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 F 8.86 4.10 0.00 3.21 3.16 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 14 E 8.37 3.93 0.00 2.19 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 2.40 2.45 0.00 15 Q 7.96 4.05 0.00 2.42 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 16 R 8.29 4.37 0.00 2.02 2.45 0.00 3.79 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.80 0.00 17 V 7.61 3.84 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 1.25 0.00 0.00 0.32 0.00 0.00 18 E 8.13 3.92 0.00 2.33 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 2.31 2.40 0.00 19 D 8.38 4.42 0.00 3.19 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.66 3.24 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 0.92 0.00 0.00 -0.08 0.00 0.00 21 R 7.99 3.88 0.00 2.00 1.94 0.00 3.33 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 22 L 8.00 3.98 0.00 1.77 1.85 0.96 0.81 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 23 I 7.87 3.76 1.92 0.00 0.00 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 1.55 0.72 0.88 0.00 0.00 24 R 7.68 3.92 0.00 1.97 1.97 0.00 3.15 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 25 E 7.81 4.09 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 26 Q 8.12 4.20 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.30 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 27 H 8.33 4.92 0.00 3.17 3.14 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.27 0.00 2.02 2.12 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.21 0.00 29 T 7.87 4.31 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 1.20 0.00 0.00 30 K 7.82 5.02 0.00 1.61 1.70 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.50 7.81 31 I 8.41 4.03 1.76 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.13 0.64 0.00 0.00 32 P 0.00 4.76 0.00 1.82 2.03 0.00 3.02 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.75 0.00 33 V 9.33 4.98 2.14 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 1.04 0.00 0.00 1.00 0.00 0.00 34 I 8.32 4.65 1.02 0.00 0.00 -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 -0.36 0.62 0.00 0.00 35 I 8.77 5.07 1.89 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.56 1.03 0.00 0.00 36 E 9.20 4.89 0.00 1.92 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 2.29 0.00 37 R 8.31 3.23 0.00 1.43 1.63 0.00 3.39 0.00 0.00 3.45 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.14 0.00 38 Y 8.37 4.20 0.00 3.01 2.82 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 0.00 0.00 0.00 39 K 8.54 3.70 0.00 1.43 1.63 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.30 7.81 40 G 5.38 3.49 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 41 E 7.62 4.18 0.00 2.11 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 2.45 2.40 0.00 42 K 8.62 4.48 0.00 1.88 1.89 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.46 7.81 43 Q 8.28 4.13 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 44 L 8.52 4.19 0.00 2.00 1.99 1.12 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.67 0.00 2.24 2.13 0.00 3.86 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 46 V 7.97 4.29 2.15 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 0.91 0.00 0.00 0.98 0.00 0.00 47 L 7.82 4.49 0.00 2.14 1.84 1.05 1.02 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 48 D 8.65 4.51 0.00 2.77 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 49 K 7.48 4.62 0.00 1.57 1.65 0.00 1.15 0.00 0.00 1.39 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 0.36 7.81 50 T 8.42 4.63 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 1.12 0.00 0.00 51 K 7.62 4.80 0.00 1.49 1.32 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.21 1.33 7.81 52 F 9.84 4.79 0.00 2.85 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 53 L 8.64 4.96 0.00 1.43 1.56 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.38 4.32 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 0.85 0.00 0.00 0.93 0.00 0.00 55 P 0.00 4.62 0.00 2.08 2.24 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 56 D 8.97 4.52 0.00 2.77 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 57 H 7.85 4.64 0.00 3.29 3.46 0.00 5.52 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.14 3.82 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 0.47 0.00 0.00 0.91 0.00 0.00 59 N 8.26 5.12 0.00 3.12 2.96 0.00 0.00 6.16 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 60 M 8.30 4.08 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.86 0.00 61 S 8.34 4.05 0.00 3.98 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 62 E 8.58 3.90 0.00 2.10 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 2.27 2.31 0.00 63 L 7.86 3.90 0.00 1.79 1.78 0.81 0.96 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 64 I 7.94 3.70 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.74 0.97 0.00 0.00 65 K 7.87 3.82 0.00 1.94 1.78 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.58 7.81 66 I 7.90 3.60 1.93 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 1.46 0.94 0.82 0.00 0.00 67 I 7.77 3.43 1.61 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.10 0.58 0.00 0.00 68 R 7.68 3.34 0.00 1.68 1.68 0.00 2.93 0.00 0.00 2.96 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.07 0.00 69 R 7.85 3.85 0.00 1.94 1.89 0.00 3.07 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 70 R 7.70 3.92 0.00 1.87 1.86 0.00 3.43 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 71 L 7.69 4.13 0.00 1.59 1.59 0.49 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.56 3.40 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 73 L 7.53 4.34 0.00 1.54 1.53 0.71 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.16 4.92 0.00 2.82 2.89 0.00 0.00 5.79 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 A 8.54 3.94 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 76 N 7.93 4.59 0.00 2.72 2.89 0.00 0.00 6.98 7.69 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 77 Q 8.12 4.11 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 78 A 8.42 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 79 F 7.57 4.66 0.00 2.83 2.71 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 80 F 8.27 4.71 0.00 2.93 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 81 L 8.51 5.08 0.00 1.54 1.55 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 82 L 9.33 4.74 0.00 1.59 1.54 0.86 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.63 4.67 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 0.97 0.00 0.00 0.95 0.00 0.00 84 N 10.28 4.34 0.00 3.00 2.95 0.00 0.00 7.38 7.55 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 85 G 8.78 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 0.00 0.00 0.00 86 H 7.85 5.03 0.00 3.28 3.37 0.00 5.27 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.35 4.52 0.00 4.02 3.90 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 88 M 8.28 4.31 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 89 V 8.58 3.81 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 0.83 0.00 0.00 0.96 0.00 0.00 90 S 7.72 4.69 0.00 3.97 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 91 V 8.38 4.00 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 1.13 0.00 0.00 0.96 0.00 0.00 92 S 7.81 4.61 0.00 4.02 3.96 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 93 T 7.58 4.09 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 1.27 0.00 0.00 94 P 0.00 4.56 0.00 2.20 1.99 0.00 3.77 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 2.13 2.08 0.00 95 I 8.94 3.69 1.96 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 1.62 1.53 0.95 0.00 0.00 96 S 8.05 4.24 0.00 4.12 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 97 E 8.44 4.02 0.00 2.20 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 2.36 2.34 0.00 98 V 7.86 3.73 2.28 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 1.09 0.00 0.00 1.03 0.00 0.00 99 Y 8.50 4.14 0.00 3.16 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 0.00 100 E 7.87 3.92 0.00 2.16 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 2.47 2.59 0.00 101 S 7.62 4.65 0.00 4.06 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 0.00 102 E 7.96 4.63 0.00 2.09 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 2.39 2.40 0.00 103 R 7.57 3.97 0.00 1.48 1.15 0.00 2.73 0.00 0.00 2.48 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.40 0.00 104 D 9.04 4.76 0.00 3.12 3.25 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 0.00 105 E 8.82 4.16 0.00 2.18 2.31 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 2.40 2.37 0.00 106 D 8.89 4.21 0.00 2.77 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 0.00 107 G 8.07 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 0.00 0.00 0.00 108 F 9.02 4.71 0.00 3.13 2.42 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 0.00 109 L 8.77 5.04 0.00 2.11 1.69 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 8.81 4.87 0.00 3.06 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 0.00 111 M 9.45 5.46 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 112 V 9.07 5.66 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 0.80 0.00 0.00 1.00 0.00 0.00 113 Y 8.28 5.75 0.00 2.61 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 A 8.00 5.03 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 0.00 115 S 9.87 4.32 0.00 3.95 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 0.00 116 Q 7.96 4.73 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 117 E 7.15 3.79 0.00 1.69 1.12 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 1.47 1.76 0.00