NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3871 8.3044 120.3494 55.4771 33.1294 175.0754 2 E 4.1869 7.6380 114.4961 53.6948 32.3882 174.3540 3 G 4.1694 8.3309 112.9673 45.3382 0.0000 172.7141 4 V 4.5242 7.3197 118.3848 60.2991 35.0159 174.9648 5 D 4.7486 8.6523 123.1749 51.2203 40.7143 170.8643 6 P 4.8903 0.0000 0.0000 61.0431 32.2425 175.4143 7 A 3.8162 8.6820 126.9254 52.6281 16.8243 178.2423 8 V 3.7414 8.0704 120.4741 66.9404 31.9425 175.9476 9 E 4.5348 8.2088 118.4850 53.9899 29.5409 174.8773 10 E 4.0056 8.0088 121.5289 55.6158 30.8333 175.5169 11 A 4.5311 7.9245 125.1472 50.3103 21.8445 177.1519 12 A 3.5040 8.3774 120.5635 53.5182 18.3665 176.6348 13 F 4.5797 8.1345 112.1566 56.5251 39.3186 174.9103 14 V 3.6656 7.3975 121.7080 62.4592 32.6954 175.8027 15 A 4.2314 8.3020 125.4773 51.9602 20.2413 178.5580 16 D 4.7060 8.5058 122.4765 56.9506 40.7388 178.7075 17 D 4.2762 7.9820 116.4783 57.6773 41.5650 178.1783 18 V 3.7552 7.6805 118.1227 65.4671 31.6540 177.9128 19 S 4.1357 8.6592 114.9774 61.2171 62.6574 176.3598 20 N 4.3551 8.2305 120.6699 55.7520 37.2119 177.1052 21 I 3.7120 7.4457 122.4083 63.8668 37.2606 178.1153 22 I 3.6684 7.8372 119.0272 64.1141 37.8276 178.0790 23 K 4.5787 8.2139 119.1010 59.9050 31.9506 179.1233 24 E 4.0134 8.8963 119.4499 59.5166 28.7522 179.6229 25 S 4.0122 8.2364 113.0397 61.4176 62.4351 176.1796 26 I 3.5254 7.5544 122.4766 64.3188 36.7328 177.6210 27 D 4.2346 8.4080 118.9596 57.2916 40.8509 178.2080 28 A 4.0763 7.5802 120.1563 54.4416 19.0560 179.3042 29 V 3.5547 8.7424 115.0298 64.5918 31.6112 176.9992 30 L 3.2864 7.5925 116.7532 55.2379 43.6352 176.9219 31 Q 4.1452 7.5841 117.8444 56.4887 29.7100 175.9734 32 N 4.3370 8.0304 115.3405 55.6931 37.1042 173.8403 33 Q 4.6409 7.4849 116.6230 53.6869 32.2654 173.6340 34 Q 4.3172 8.4852 118.7425 55.1264 29.8797 174.9606 35 Y 4.6644 8.7209 121.8020 58.1842 38.7230 175.7846 36 S 4.5968 7.8226 123.5238 55.9281 66.2692 174.5010 37 E 3.4837 8.5797 126.7578 59.2244 28.5840 178.7424 38 A 3.9430 7.7835 120.0839 54.4143 18.2340 178.7558 39 K 3.8730 6.6988 115.7876 57.0517 32.3429 178.7258 40 V 2.1257 6.5585 118.7145 64.9348 30.9258 176.9373 41 S 4.5676 7.4362 112.3299 59.8204 64.3142 176.2280 42 Q 4.0852 7.2324 119.6085 58.1201 28.3655 177.7250 43 W 4.4800 9.0000 120.6436 60.9854 29.1075 178.1313 44 T 3.8594 8.0842 112.7163 65.0951 66.7540 176.4675 45 S 4.1773 7.6821 115.3859 61.5430 63.1582 176.6754 46 S 4.2515 8.4159 119.1776 61.2235 62.5206 176.1691 47 C 4.0693 8.0623 121.6519 62.3555 31.2050 175.6048 48 L 4.0291 7.8784 120.7250 57.7204 41.1574 179.0540 49 E 4.0443 8.1213 118.8800 59.0181 29.4339 177.4656 50 H 4.6225 8.5498 113.8740 56.3424 29.2456 175.6278 51 C 4.4622 7.8589 121.5198 61.1144 32.5197 175.4060 52 I 3.8278 7.8932 120.2151 64.2278 37.4155 178.0015 53 K 4.0138 8.2239 119.3763 59.3714 31.7607 179.3946 54 R 3.8935 7.8498 118.5757 59.3664 30.1171 178.3152 55 L 3.7411 7.9120 118.9572 57.7642 41.1434 179.6315 56 T 4.4525 8.0410 110.2782 64.0931 68.9257 176.4676 57 A 4.1180 7.4894 122.7551 54.7648 18.4743 179.1100 58 L 4.0534 8.0885 116.6617 54.7489 43.1455 176.7782 59 N 4.0181 7.9452 115.6036 51.8555 36.3034 175.0000 60 K 3.8534 6.9351 111.4033 55.8322 35.2155 173.0843 61 P 4.4316 0.0000 0.0000 62.6250 31.6543 174.7807 62 F 4.5255 8.6589 115.6679 59.8906 40.2994 175.6409 63 K 4.3297 7.9956 121.3774 55.8220 33.4848 175.0066 64 Y 5.4749 7.5913 122.6094 55.4402 41.7858 174.1511 65 V 4.7099 9.2874 121.7770 61.3676 34.8376 174.9019 66 V 4.7605 8.4149 124.5181 61.6019 33.4993 174.1014 67 T 4.9800 9.0047 122.5573 60.5646 71.0340 172.1113 68 C 5.2663 8.4364 118.6377 57.2054 32.9012 173.0240 69 I 4.7871 9.1289 121.0853 59.5129 40.5686 174.4376 70 I 4.4219 8.5200 120.4193 60.4553 39.1766 175.7180 71 M 4.5125 9.3053 127.3613 53.3285 32.4520 173.7596 72 Q 4.1815 8.4317 124.7194 56.8220 30.4132 177.1167 73 K 3.8933 8.5385 127.7826 56.1339 31.2219 173.7801 74 N 4.8910 8.5460 113.8350 54.4504 38.9018 176.2988 75 G 3.6597 7.8757 106.7274 47.5791 0.0000 174.1346 76 A 4.0842 7.2479 123.3248 52.0173 18.8874 176.8555 77 G 4.0482 8.4868 111.1011 44.0688 0.0000 173.1300 78 L 4.7318 8.2458 125.1871 53.5345 45.0046 175.2703 79 H 4.8444 8.7551 122.2427 55.0104 32.6259 172.8669 80 T 4.7113 8.5627 120.4529 61.7241 71.0647 173.5754 81 A 4.6843 8.1577 125.0367 50.6870 22.2159 176.0329 82 A 4.3397 8.3840 123.0370 51.4244 21.7505 175.6876 83 S 4.6440 8.7351 118.3095 56.8463 63.9347 173.0786 84 C 4.7076 8.3582 125.1058 57.7186 30.3039 174.7937 85 W 3.9143 8.1830 131.2182 56.6486 31.9275 174.9229 86 W 4.8527 7.3428 116.8286 56.1327 29.0713 175.8080 87 D 4.9508 8.1928 119.8686 54.1258 41.9008 176.3881 88 S 3.9647 8.6576 120.4867 60.9271 63.2472 175.5102 89 T 3.9988 8.1926 115.0801 65.0791 67.6860 174.2293 90 T 4.5672 7.1333 112.1945 60.0679 67.4034 173.3111 91 D 4.8203 7.7660 121.5214 53.3686 43.6377 173.2881 92 G 4.0948 8.4313 115.9263 44.1732 0.0000 172.2878 93 S 2.0000 7.0720 120.9813 57.4587 60.3255 171.5513 94 R 4.4342 8.2316 124.6215 54.4981 32.8831 174.4400 95 T 5.0655 8.4063 118.5201 59.9452 69.4777 173.8810 96 V 4.5321 8.8011 125.5646 61.1677 35.5832 174.1817 97 R 5.1554 8.2956 124.7917 54.4179 32.3146 175.0624 98 W 4.8066 9.8229 124.8866 55.5800 31.5630 175.5040 99 E 5.2494 8.7444 121.2194 55.4163 33.6433 174.1008 100 N 5.3173 9.2464 115.1110 52.7258 39.3965 176.2160 101 K 4.3943 8.1131 115.0493 57.2139 35.3336 176.1884 102 S 4.6018 7.9122 109.9318 59.3891 67.7180 174.8375 103 M 4.0057 8.0751 121.5582 55.1704 33.2820 174.3362 104 Y 5.4785 8.5630 123.3320 56.7092 41.6510 174.8199 105 C 5.1351 9.4568 119.6946 58.3819 32.2106 172.7315 106 I 5.1386 8.8739 125.3452 59.7898 39.8902 174.0351 107 C 5.2256 10.0924 128.9433 58.1127 34.9482 172.1472 108 T 5.1183 9.6591 121.4692 60.3440 69.9458 172.5580 109 V 4.5767 9.1175 129.0824 61.5099 33.8748 174.5034 110 F 4.7158 9.7527 128.1983 56.2300 39.6831 175.5121 111 G 4.3239 8.6208 112.9484 45.4222 0.0000 170.0016 112 L 4.8075 8.7905 126.8723 52.8657 42.9741 178.2606 113 A 4.3777 8.7974 127.6697 51.9057 16.0517 177.5940 114 I 3.5494 7.8942 122.0619 61.2839 37.2895 174.0926 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 M 8.30 4.39 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 E 7.64 4.19 0.00 2.00 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 2.34 2.38 0.00 3 G 8.33 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 0.00 0.00 0.00 0.00 4 V 7.32 4.52 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 0.89 0.00 0.00 0.94 0.00 0.00 5 D 8.65 4.75 0.00 2.73 2.68 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 6 P 0.00 4.89 0.00 2.21 2.07 0.00 3.98 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 1.90 1.94 0.00 7 A 8.68 3.82 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 3.74 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 0.78 0.00 0.00 1.04 0.00 0.00 9 E 8.21 4.53 0.00 1.81 1.74 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 2.17 2.14 0.00 10 E 8.01 4.01 0.00 1.71 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 1.95 1.92 0.00 11 A 7.92 4.53 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 12 A 8.38 3.50 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 13 F 8.13 4.58 0.00 2.92 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 14 V 7.40 3.67 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 0.90 0.00 0.00 0.93 0.00 0.00 15 A 8.30 4.23 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 16 D 8.51 4.71 0.00 2.68 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 17 D 7.98 4.28 0.00 2.61 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 18 V 7.68 3.76 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 1.11 0.00 0.00 0.88 0.00 0.00 19 S 8.66 4.14 0.00 3.90 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 0.00 20 N 8.23 4.36 0.00 3.31 3.15 0.00 0.00 7.13 6.99 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 21 I 7.45 3.71 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.79 0.87 0.00 0.00 22 I 7.84 3.67 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.20 1.26 0.00 0.00 23 K 8.21 4.58 0.00 2.14 2.05 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.72 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.64 1.80 7.81 24 E 8.90 4.01 0.00 2.24 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 0.00 2.33 2.38 0.00 25 S 8.24 4.01 0.00 4.07 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 26 I 7.55 3.53 1.27 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.31 0.31 0.00 0.00 27 D 8.41 4.23 0.00 2.78 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 28 A 7.58 4.08 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 29 V 8.74 3.55 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 0.74 0.00 0.00 0.73 0.00 0.00 30 L 7.59 3.29 0.00 1.35 0.96 0.07 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 7.58 4.15 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 32 N 8.03 4.34 0.00 2.85 3.01 0.00 0.00 6.65 6.96 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 33 Q 7.48 4.64 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.12 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 34 Q 8.49 4.32 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 35 Y 8.72 4.66 0.00 3.19 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 36 S 7.82 4.60 0.00 3.63 3.44 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 37 E 8.58 3.48 0.00 2.02 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 2.29 2.30 0.00 38 A 7.78 3.94 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 39 K 6.70 3.87 0.00 1.31 0.74 0.00 1.49 0.00 0.00 1.37 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.34 7.81 40 V 6.56 2.13 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.27 0.00 0.00 41 S 7.44 4.57 0.00 4.01 3.98 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 42 Q 7.23 4.09 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 43 W 9.00 4.48 0.00 3.17 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 44 T 8.08 3.86 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 1.30 0.00 0.00 45 S 7.68 4.18 0.00 4.13 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 46 S 8.42 4.25 0.00 4.10 3.82 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 47 C 8.06 4.07 0.00 2.87 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 48 L 7.88 4.03 0.00 2.07 1.72 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.12 4.04 0.00 2.11 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 2.33 2.37 0.00 50 H 8.55 4.62 0.00 3.10 3.30 0.00 5.70 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 51 C 7.86 4.46 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 52 I 7.89 3.83 2.05 0.00 0.00 1.00 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 1.54 1.01 0.00 0.00 53 K 8.22 4.01 0.00 2.05 1.83 0.00 1.82 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.50 7.81 54 R 7.85 3.89 0.00 2.01 2.00 0.00 3.21 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 55 L 7.91 3.74 0.00 1.39 0.13 0.43 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.04 4.45 4.33 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 1.43 0.00 0.00 57 A 7.49 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.09 4.05 0.00 1.67 1.64 0.88 0.92 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 59 N 7.95 4.02 0.00 2.84 3.01 0.00 0.00 6.66 7.94 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 60 K 6.94 3.85 0.00 1.49 1.59 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.09 1.16 7.81 61 P 0.00 4.43 0.00 2.30 2.17 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 62 F 8.66 4.53 0.00 3.01 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 63 K 8.00 4.33 0.00 1.92 1.76 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.39 7.81 64 Y 7.59 5.47 0.00 3.09 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 65 V 9.29 4.71 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 0.83 0.00 0.00 1.03 0.00 0.00 66 V 8.41 4.76 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 0.85 0.00 0.00 1.08 0.00 0.00 67 T 9.00 4.98 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 1.38 0.00 0.00 68 C 8.44 5.27 0.00 3.13 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 69 I 9.13 4.79 1.95 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 1.34 0.61 0.97 0.00 0.00 70 I 8.52 4.42 1.92 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 1.35 0.47 1.04 0.00 0.00 71 M 9.31 4.51 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 72 Q 8.43 4.18 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 5.99 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 73 K 8.54 3.89 0.00 1.92 1.80 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.34 7.81 74 N 8.55 4.89 0.00 2.92 2.95 0.00 0.00 5.87 7.00 0.00 0.00 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 G 7.88 3.66 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 0.00 0.00 0.00 76 A 7.25 4.08 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 77 G 8.49 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 78 L 8.25 4.73 0.00 1.58 1.52 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.76 4.84 0.00 3.17 3.15 0.00 5.71 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.56 4.71 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 1.25 0.00 0.00 81 A 8.16 4.68 1.20 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 0.00 0.00 0.00 82 A 8.38 4.34 1.24 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 0.00 0.00 0.00 83 S 8.74 4.64 0.00 3.81 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.36 4.71 0.00 3.05 2.87 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 85 W 8.18 3.91 0.00 3.01 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 86 W 7.34 4.85 0.00 3.01 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 87 D 8.19 4.95 0.00 2.81 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 88 S 8.66 3.96 0.00 3.89 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 89 T 8.19 4.00 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 1.33 0.00 0.00 90 T 7.13 4.57 4.35 0.00 0.00 0.00 0.00 0.00 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 91 D 7.77 4.82 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.43 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 0.00 0.00 0.00 0.00 93 S 7.07 2.00 0.00 3.15 3.48 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 0.00 94 R 8.23 4.43 0.00 1.76 1.76 0.00 3.32 0.00 0.00 3.06 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.65 0.00 95 T 8.41 5.07 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 1.23 0.00 0.00 96 V 8.80 4.53 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 -0.65 0.00 0.00 0.83 0.00 0.00 97 R 8.30 5.16 0.00 1.59 1.90 0.00 3.48 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 98 W 9.82 4.81 0.00 3.39 3.01 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 99 E 8.74 5.25 0.00 2.07 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 0.00 2.11 2.48 0.00 100 N 9.25 5.32 0.00 2.92 3.05 0.00 0.00 6.44 7.03 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 0.00 101 K 8.11 4.39 0.00 1.79 1.89 0.00 1.34 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.47 7.81 102 S 7.91 4.60 0.00 3.79 3.88 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 0.00 103 M 8.08 4.01 0.00 2.38 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.80 0.00 104 Y 8.56 5.48 0.00 3.04 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 0.00 105 C 9.46 5.14 0.00 2.93 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 0.00 106 I 8.87 5.14 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.79 1.08 0.00 0.00 107 C 10.09 5.23 0.00 2.83 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 0.00 108 T 9.66 5.12 4.39 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 1.62 0.00 0.00 109 V 9.12 4.58 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 0.98 0.00 0.00 1.01 0.00 0.00 110 F 9.75 4.72 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 0.00 111 G 8.62 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.79 4.81 0.00 1.76 1.72 1.29 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.80 4.38 1.33 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 0.00 0.00 114 I 7.89 3.55 1.82 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.47 0.78 0.00 0.00