NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4774 8.1693 120.6423 54.9297 43.1037 175.8023 8 H 4.8851 8.6355 117.8727 53.0498 31.4699 171.4968 9 K 4.5986 9.1862 121.7004 56.0553 34.3663 177.2248 10 E 4.9949 9.0721 121.9395 53.8860 33.8193 173.6859 11 P 5.0104 0.0000 0.0000 63.1952 32.5944 174.8086 12 A 4.8766 8.4360 121.5948 51.5287 23.0927 175.5377 13 T 4.6290 8.5203 115.3753 61.2461 71.7935 174.0060 14 L 4.2242 8.7064 128.2006 56.0059 42.3300 175.6499 15 I 4.3675 8.5389 126.4376 62.1957 38.9454 175.8822 16 K 4.4815 7.5452 119.5373 55.4417 35.3742 173.8575 17 A 4.5402 8.7083 129.3989 51.9792 19.4050 177.2493 18 I 4.2030 8.1753 122.6919 62.6912 39.0338 174.9937 19 D 4.4803 7.5345 117.2581 53.1942 43.8414 175.7368 20 G 3.7741 8.8878 109.7282 47.9104 0.0000 173.9603 21 D 4.9237 8.0567 116.2552 52.9361 40.3461 175.0970 22 T 5.1726 7.7856 116.5806 62.4693 72.9529 173.3179 23 V 4.7578 8.7499 118.5114 59.4566 36.5442 174.2394 24 K 4.9888 9.3296 125.8379 55.3610 33.6093 175.3505 25 L 5.3019 9.2242 126.9130 53.0891 46.4415 175.4442 26 M 4.9097 9.2345 122.5097 55.0541 33.3069 174.2243 27 Y 5.0755 9.3564 128.2590 56.3430 42.1278 175.6895 28 K 3.6733 9.5351 126.0181 57.2893 29.8542 175.8083 29 G 3.9886 8.5475 105.6635 45.0623 0.0000 173.6579 30 Q 4.9154 8.0526 119.3661 53.0339 32.0070 173.3212 31 P 4.9742 0.0000 0.0000 63.2467 32.3590 175.2810 32 M 4.8749 9.3534 122.3530 54.3946 36.3717 173.5188 33 T 4.7984 8.4990 121.6858 63.0250 70.5072 173.4157 34 F 4.9796 9.4430 125.3085 55.6646 41.7389 174.4919 35 R 4.8999 8.8545 124.2125 54.8060 31.7963 175.2870 36 L 4.4288 8.6847 127.4526 54.3701 42.4094 177.3379 37 L 3.9075 8.7263 125.0405 55.9993 42.2190 177.9508 38 L 3.8328 8.7879 120.0371 55.2125 39.3246 174.1200 39 V 4.9478 7.3234 109.7427 59.5859 35.6264 174.8387 40 D 4.9522 9.1361 124.0357 52.9167 42.9323 175.7222 41 T 4.7308 8.3278 113.8444 59.1727 70.9487 173.0786 42 P 4.3630 0.0000 0.0000 62.8459 32.2384 175.5595 43 E 4.7808 9.7232 121.0440 54.8321 32.0628 177.1567 44 T 4.2822 8.3320 110.6644 62.5050 70.5934 176.3909 45 K 4.5054 7.8194 124.1115 56.6659 31.4127 175.5339 46 H 5.1197 8.5433 123.2463 54.3268 32.1119 171.0385 47 P 4.7697 0.0000 0.0000 61.8261 33.3850 175.3732 48 K 4.1282 8.1685 118.8431 57.5917 34.2593 176.0827 49 K 3.8217 9.7315 119.2676 57.2903 31.3506 176.7879 50 G 3.7324 8.4996 110.6165 45.8283 0.0000 177.1328 51 V 4.2481 8.5876 124.9753 61.2271 31.6614 174.6862 52 E 4.2821 9.4834 127.7624 55.1164 31.3439 175.7882 53 K 4.0575 8.2437 122.6712 58.2251 32.4727 176.5413 54 Y 4.1692 8.2296 124.2240 59.2907 35.9317 171.1878 55 G 3.6155 8.1482 107.5344 47.4354 0.0000 174.2628 56 P 4.2972 0.0000 0.0000 64.7883 31.0168 178.6255 57 E 3.9935 8.2016 116.8785 59.5066 29.5271 179.0769 58 A 4.0210 8.5966 121.0470 55.2139 18.4819 179.6254 59 S 4.1294 8.5386 111.8692 61.5406 62.4045 176.2905 60 A 4.1024 8.4337 123.8245 54.6234 18.0677 179.5157 61 F 3.9562 8.4527 119.6016 61.7665 39.4801 177.3743 62 T 3.8900 8.0842 115.3722 66.5265 68.2301 176.1954 63 K 3.8243 7.8213 120.8168 59.7211 32.2268 178.7547 64 K 3.8741 8.1721 118.6733 59.6535 31.7186 179.0678 65 M 3.8481 7.6416 117.3066 58.6986 32.3337 178.3704 66 V 3.8091 7.9527 112.5439 64.0006 31.5765 178.4989 67 E 3.9325 8.3558 118.1914 59.2728 29.4015 177.4499 68 N 4.6569 8.0713 113.4196 53.0454 38.6607 174.8878 69 A 4.6189 7.3174 122.0259 51.2179 19.7942 178.5941 70 K 4.1655 8.7728 120.7310 58.6895 32.5696 178.2481 71 K 4.6292 8.5086 117.9048 54.5016 36.0350 175.6571 72 V 4.8538 8.4272 124.4804 61.3574 33.9042 174.1857 73 E 5.1647 9.3063 126.1842 54.7003 33.9482 174.9041 74 V 4.6396 8.9230 115.5203 59.5061 35.0649 174.7069 75 E 4.9096 8.7536 124.3343 54.3857 32.0985 175.0574 76 F 4.6326 8.7790 125.7562 57.6186 40.0963 175.9002 77 D 4.9656 8.4271 120.6060 53.5974 43.2073 175.8047 78 K 4.3389 8.8558 116.9077 57.9083 33.2050 178.3045 79 G 4.2499 8.0740 110.1559 44.6137 0.0000 173.5679 80 Q 4.1045 8.6465 121.8376 56.6402 29.2653 176.5849 81 R 4.7396 8.4454 117.6521 56.4729 31.7057 175.5951 82 T 5.1622 7.6593 108.4579 60.1532 72.3763 173.6119 83 D 4.9663 8.6586 123.5151 51.9756 42.3733 176.7314 84 K 4.0147 8.6811 116.2863 59.1452 32.7093 176.8081 85 Y 4.3238 8.6371 117.2785 57.7945 37.9647 176.4711 86 G 3.9360 8.2542 108.5229 45.1597 0.0000 173.8389 87 R 4.4382 7.8983 118.9290 54.7349 32.0536 176.2032 88 G 3.4141 8.4259 110.9256 46.2257 0.0000 172.3978 89 L 5.2725 8.7732 124.4777 53.2560 43.2160 175.5751 90 A 4.3987 8.3053 124.5420 51.0891 23.7475 174.0184 91 Y 4.8195 8.5997 117.3696 57.3381 39.5443 175.2398 92 I 4.8636 8.7878 125.0698 59.6900 40.1743 174.1681 93 Y 5.0910 9.2436 123.5224 56.0667 41.2606 174.3992 94 A 4.8504 9.1619 126.2346 50.2397 21.2101 176.5155 95 D 4.2842 9.8934 125.7162 55.8008 39.0258 175.3820 96 G 4.0019 8.3305 105.3651 45.2830 0.0000 173.2979 97 K 4.4965 7.9321 120.3920 54.7929 33.6690 175.4270 98 M 3.9743 8.5204 123.4488 55.1172 33.0025 176.9687 99 V 3.6378 8.6263 127.5753 66.1425 31.5591 177.7104 100 N 4.3303 7.9593 115.8229 56.2897 38.3951 176.8489 101 E 3.8845 8.0608 120.0027 59.1252 29.8373 178.4022 102 A 3.9828 8.1817 120.8958 55.1753 18.3552 179.5915 103 L 3.4537 7.9713 117.4740 57.8087 41.6795 179.9892 104 V 3.7108 7.4631 118.1385 66.0328 31.2881 178.1056 105 R 3.9454 8.5063 117.7562 58.9959 29.9562 177.5026 106 Q 4.3048 7.7366 115.4849 55.0159 29.1057 175.9830 107 G 3.9037 7.9353 108.7244 46.7478 0.0000 174.7388 108 L 4.5912 7.7310 116.6971 53.8212 42.3441 176.2271 109 A 4.6607 7.4791 118.6993 50.9211 22.0549 176.1761 110 K 4.8523 8.7083 119.7661 54.3198 35.5238 176.0220 111 V 4.1967 8.8515 123.3628 62.8240 31.8792 175.9946 112 A 4.0259 8.6180 130.5660 51.4271 19.5783 176.3963 113 Y 4.2667 7.5968 117.1468 58.0339 38.3658 175.9693 114 V 3.9892 8.1423 124.5777 61.5971 32.9976 174.6936 115 Y 4.6010 8.2098 124.5606 55.8837 38.4003 175.4414 116 K 4.5215 8.5329 124.6669 56.0564 32.7652 175.2117 117 P 4.8306 0.0000 0.0000 63.1189 31.8900 176.8934 118 N 4.9066 7.9304 118.4328 52.4976 36.9348 175.2373 119 N 5.1155 7.8499 112.2726 53.3975 39.5017 177.2522 120 T 3.8284 8.5631 117.7663 67.5650 68.6847 174.9292 121 H 4.8539 7.9189 116.4820 55.7696 29.1481 176.6603 122 E 3.9652 8.3533 123.1185 59.6903 29.2568 178.9863 123 Q 3.9644 8.0373 117.3583 59.1878 28.9894 177.8095 124 H 4.1447 8.3206 118.7383 59.5345 29.7862 177.0271 125 L 3.9243 7.9366 120.4659 57.8847 41.3993 179.6856 126 R 3.9983 8.1554 118.1335 59.1791 30.0812 179.2363 127 K 3.9191 8.3842 118.6632 59.6327 31.9409 179.6008 128 S 4.1232 7.8844 115.2052 61.2868 62.7069 176.2903 129 E 3.8926 8.6695 122.4006 59.0895 29.3779 178.6144 130 A 3.7393 8.0608 120.9770 55.1142 18.4365 179.3458 131 Q 3.7729 7.8521 117.2801 59.4032 29.1828 178.4116 132 A 4.0327 8.1447 121.8831 54.9841 18.2928 179.8716 133 K 3.2725 7.5254 117.1001 59.2647 31.8221 179.5133 134 K 3.8436 7.6363 118.4845 58.8447 32.1187 177.5904 135 E 4.3178 7.9171 116.1964 54.8762 30.5862 175.6954 136 K 4.1472 7.7178 117.4482 56.0125 30.4925 175.3572 137 L 4.3817 8.0925 118.2076 55.1142 44.7292 177.7588 138 N 3.7680 9.2277 121.0069 53.9582 37.4940 176.5154 139 I 3.2229 5.4200 127.0322 64.5591 37.8477 176.5700 140 W 4.9108 7.9004 118.5835 56.4005 29.1189 176.6069 141 S 4.4592 8.3364 120.0265 58.4066 62.6057 173.8852 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 7 L 8.17 4.48 0.00 1.72 1.78 1.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.64 4.89 0.00 3.32 3.26 0.00 5.52 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.19 4.60 0.00 1.58 1.68 0.00 1.44 0.00 0.00 1.48 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 1.23 7.81 10 E 9.07 4.99 0.00 2.08 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 2.39 2.25 0.00 11 P 0.00 5.01 0.00 2.10 2.07 0.00 3.86 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 12 A 8.44 4.88 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 13 T 8.52 4.63 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 1.22 0.00 0.00 14 L 8.71 4.22 0.00 1.62 1.57 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.54 4.37 2.02 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 1.15 0.87 0.94 0.00 0.00 16 K 7.55 4.48 0.00 1.79 1.59 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.40 7.81 17 A 8.71 4.54 1.25 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 0.00 0.00 18 I 8.18 4.20 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.69 0.90 0.00 0.00 19 D 7.53 4.48 0.00 2.69 2.47 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 0.00 0.00 0.00 0.00 20 G 8.89 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 0.00 0.00 0.00 21 D 8.06 4.92 0.00 2.83 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 22 T 7.79 5.17 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 1.27 0.00 0.00 23 V 8.75 4.76 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 0.69 0.00 0.00 0.95 0.00 0.00 24 K 9.33 4.99 0.00 1.91 1.72 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 25 L 9.22 5.30 0.00 1.74 1.52 0.36 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.23 4.91 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 27 Y 9.36 5.08 0.00 3.22 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 28 K 9.54 3.67 0.00 1.21 1.58 0.00 1.70 0.00 0.00 1.54 0.00 0.00 2.69 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.51 1.04 7.81 29 G 8.55 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 30 Q 8.05 4.92 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 31 P 0.00 4.97 0.00 2.12 2.10 0.00 3.78 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 2.02 1.99 0.00 32 M 9.35 4.87 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.91 0.00 33 T 8.50 4.80 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 1.22 0.00 0.00 34 F 9.44 4.98 0.00 3.02 2.89 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 35 R 8.85 4.90 0.00 1.92 1.79 0.00 3.32 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 36 L 8.68 4.43 0.00 1.55 1.60 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.73 3.91 0.00 1.11 1.26 0.41 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.79 3.83 0.00 2.02 1.88 1.16 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.32 4.95 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 0.80 0.00 0.00 0.93 0.00 0.00 40 D 9.14 4.95 0.00 2.41 2.48 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 41 T 8.33 4.73 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 1.18 0.00 0.00 42 P 0.00 4.36 0.00 2.24 2.10 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 2.14 2.06 0.00 43 E 9.72 4.78 0.00 2.24 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 2.20 2.35 0.00 44 T 8.33 4.28 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 1.23 0.00 0.00 45 K 7.82 4.51 0.00 1.70 1.56 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.45 7.81 46 H 8.54 5.12 0.00 3.04 3.11 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.77 0.00 2.15 2.02 0.00 4.10 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 1.93 1.94 0.00 48 K 8.17 4.13 0.00 1.67 1.61 0.00 1.26 0.00 0.00 1.29 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.30 7.81 49 K 9.73 3.82 0.00 1.90 1.84 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.39 7.81 50 G 8.50 3.73 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 0.00 0.00 0.00 51 V 8.59 4.25 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 0.81 0.00 0.00 0.96 0.00 0.00 52 E 9.48 4.28 0.00 1.92 1.86 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 2.36 2.36 0.00 53 K 8.24 4.06 0.00 1.62 1.66 0.00 1.42 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.21 0.80 7.81 54 Y 8.23 4.17 0.00 3.13 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 55 G 8.15 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.30 0.00 2.16 2.11 0.00 3.58 0.00 0.00 3.89 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 57 E 8.20 3.99 0.00 2.36 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 0.00 2.55 2.51 0.00 58 A 8.60 4.02 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 59 S 8.54 4.13 0.00 3.95 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 60 A 8.43 4.10 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.45 3.96 0.00 3.26 3.20 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 62 T 8.08 3.89 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 63 K 7.82 3.82 0.00 1.84 2.07 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.61 7.81 64 K 8.17 3.87 0.00 1.66 1.72 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.56 7.81 65 M 7.64 3.85 0.00 1.96 1.70 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 66 V 7.95 3.81 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 0.73 0.00 0.00 1.01 0.00 0.00 67 E 8.36 3.93 0.00 1.94 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 2.33 2.45 0.00 68 N 8.07 4.66 0.00 2.83 2.79 0.00 0.00 6.99 6.75 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 69 A 7.32 4.62 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 70 K 8.77 4.17 0.00 1.86 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.62 7.81 71 K 8.51 4.63 0.00 1.67 1.65 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.35 7.81 72 V 8.43 4.85 2.20 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 0.94 0.00 0.00 0.91 0.00 0.00 73 E 9.31 5.16 0.00 1.90 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 2.20 2.26 0.00 74 V 8.92 4.64 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 -0.02 0.00 0.00 0.50 0.00 0.00 75 E 8.75 4.91 0.00 2.22 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 2.45 2.53 0.00 76 F 8.78 4.63 0.00 3.00 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 77 D 8.43 4.97 0.00 2.69 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 78 K 8.86 4.34 0.00 1.81 1.89 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.46 7.81 79 G 8.07 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 0.00 0.00 0.00 0.00 80 Q 8.65 4.10 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 81 R 8.45 4.74 0.00 1.52 1.48 0.00 2.84 0.00 0.00 2.75 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.68 0.00 82 T 7.66 5.16 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 1.14 0.00 0.00 83 D 8.66 4.97 0.00 2.82 2.89 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 84 K 8.68 4.01 0.00 1.59 1.78 0.00 1.26 0.00 0.00 1.52 0.00 0.00 2.59 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.07 0.30 7.81 85 Y 8.64 4.32 0.00 3.05 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 86 G 8.25 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 0.00 0.00 0.00 87 R 7.90 4.44 0.00 2.02 1.87 0.00 3.12 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 88 G 8.43 3.41 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 0.00 0.00 0.00 0.00 89 L 8.77 5.27 0.00 1.56 1.61 0.93 0.97 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 90 A 8.31 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.60 4.82 0.00 3.03 2.67 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 0.00 0.00 0.00 92 I 8.79 4.86 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.51 0.81 0.00 0.00 93 Y 9.24 5.09 0.00 2.75 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 94 A 9.16 4.85 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 95 D 9.89 4.28 0.00 2.75 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 96 G 8.33 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 97 K 7.93 4.50 0.00 2.00 1.76 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.38 7.81 98 M 8.52 3.97 0.00 1.91 1.63 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.44 0.00 99 V 8.63 3.64 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 1.02 0.00 0.00 0.92 0.00 0.00 100 N 7.96 4.33 0.00 2.89 2.90 0.00 0.00 6.79 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 0.00 101 E 8.06 3.88 0.00 1.93 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 2.25 2.12 0.00 102 A 8.18 3.98 1.61 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 0.00 0.00 103 L 7.97 3.45 0.00 1.84 1.62 1.00 0.81 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 0.00 104 V 7.46 3.71 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 1.07 0.00 0.00 0.97 0.00 0.00 105 R 8.51 3.95 0.00 1.98 1.97 0.00 3.33 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 106 Q 7.74 4.30 0.00 1.77 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.32 0.00 0.00 0.00 0.00 0.00 2.33 2.04 0.00 107 G 7.94 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 0.00 0.00 0.00 108 L 7.73 4.59 0.00 1.28 1.47 0.52 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.48 4.66 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 0.00 0.00 0.00 0.00 0.00 110 K 8.71 4.85 0.00 1.70 1.96 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.72 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.22 1.16 7.81 111 V 8.85 4.20 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 0.77 0.00 0.00 0.95 0.00 0.00 112 A 8.62 4.03 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 0.00 113 Y 7.60 4.27 0.00 2.89 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 0.00 114 V 8.14 3.99 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 1.05 0.00 0.00 115 Y 8.21 4.60 0.00 3.17 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 0.00 116 K 8.53 4.52 0.00 1.80 1.79 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.60 1.46 7.81 117 P 0.00 4.83 0.00 2.22 2.16 0.00 3.81 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 1.97 2.00 0.00 118 N 7.93 4.91 0.00 3.01 2.88 0.00 0.00 6.62 8.14 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 0.00 119 N 7.85 5.12 0.00 2.86 3.01 0.00 0.00 6.09 7.22 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 0.00 120 T 8.56 3.83 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 1.09 0.00 0.00 121 H 7.92 4.85 0.00 2.88 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.35 3.97 0.00 2.20 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 2.34 2.40 0.00 123 Q 8.04 3.96 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.62 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 124 H 8.32 4.14 0.00 3.21 3.47 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.94 3.92 0.00 1.94 1.71 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.16 4.00 0.00 1.97 1.96 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 127 K 8.38 3.92 0.00 1.91 1.84 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.63 7.81 128 S 7.88 4.12 0.00 3.95 3.85 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 0.00 129 E 8.67 3.89 0.00 2.00 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 2.20 2.55 0.00 130 A 8.06 3.74 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 0.00 131 Q 7.85 3.77 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 132 A 8.14 4.03 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 0.00 0.00 133 K 7.53 3.27 0.00 1.45 1.28 0.00 0.77 0.00 0.00 1.03 0.00 0.00 2.22 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 0.21 7.81 134 K 7.64 3.84 0.00 1.66 2.01 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.43 7.81 135 E 7.92 4.32 0.00 1.98 1.96 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 2.26 2.51 0.00 136 K 7.72 4.15 0.00 1.89 1.98 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.35 7.81 137 L 8.09 4.38 0.00 1.79 1.67 0.90 0.75 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 0.00 138 N 9.23 3.77 0.00 2.66 1.49 0.00 0.00 7.13 7.82 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 0.00 139 I 5.42 3.22 1.22 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 0.90 -0.08 -0.78 0.00 0.00 140 W 7.90 4.91 0.00 3.55 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 0.00 141 S 8.34 4.46 0.00 3.96 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