NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5136 8.3049 120.6057 55.3880 33.5307 174.4208 2 E 4.1456 8.7714 126.5867 55.4653 30.5196 174.2574 3 H 4.7757 9.0220 122.5040 54.1814 30.5239 174.3532 4 V 4.3371 8.1796 122.3898 60.9499 34.7975 174.1654 5 A 4.6028 8.3921 129.5157 50.4128 20.1227 176.2296 6 F 3.0881 8.5198 124.1462 59.5471 39.6335 175.6639 7 G 3.6008 7.6056 115.3948 44.9375 0.0000 173.6707 8 S 4.1190 7.3817 116.4300 58.6191 63.3249 175.6053 9 E 4.0013 8.8015 123.8044 58.7862 29.8246 177.3159 10 D 5.0118 7.6223 118.7062 53.6394 41.9566 178.1999 11 I 3.6099 7.4994 121.9278 64.0032 37.7353 176.4244 12 E 4.0816 8.1299 118.1360 59.2311 29.2919 178.8276 13 N 4.4014 7.8978 116.6306 56.4605 38.3952 177.1530 14 T 4.0062 7.7858 116.6690 66.5534 68.6845 176.1423 15 L 4.1747 8.0990 119.2618 56.1341 41.5760 178.8025 16 A 4.2782 7.7093 120.7130 54.2247 18.3657 178.6826 17 K 4.2536 7.5756 114.4117 56.9124 33.6267 176.5807 18 M 4.6209 7.2226 119.6678 53.8892 33.2474 176.5592 19 D 4.8343 8.3211 123.2148 53.0978 43.9971 177.0895 20 D 4.5296 8.6334 119.8239 56.7766 39.3520 178.3194 21 G 3.7842 8.0887 106.7054 47.8675 0.0000 175.5343 22 Q 4.0179 8.0324 120.1918 58.6363 28.8796 178.6914 23 L 4.0383 8.1952 119.9833 57.6560 41.4210 178.8260 24 D 4.6743 7.7090 117.3487 55.7799 40.9664 177.5821 25 G 3.8895 7.9127 106.2594 43.7158 0.0000 173.7114 26 L 4.1408 6.7697 120.1284 54.0436 42.1438 177.1710 27 A 4.2103 7.9584 122.8605 53.3284 18.8259 177.1729 28 F 5.1151 6.7606 109.5624 54.3972 41.6744 174.8878 29 G 4.2951 9.4660 107.1762 46.0806 0.0000 172.5916 30 A 5.5475 9.4156 124.7414 50.2701 22.9113 175.0251 31 I 5.0013 9.0007 122.9835 59.4074 41.2061 174.2209 32 Q 4.6276 8.9318 127.4865 54.1681 31.1650 174.1707 33 L 5.3169 8.8195 126.3228 52.8939 45.5513 176.4685 34 D 5.3048 8.8007 122.0816 52.3832 40.8984 177.2003 35 G 3.8615 8.0620 105.5713 47.5251 0.0000 174.1563 36 D 4.7126 8.4876 118.3834 54.3553 41.5281 177.2204 37 G 4.0746 8.8638 108.6852 45.4005 0.0000 173.1365 38 N 4.9536 8.6337 117.8941 52.7528 39.4366 174.2503 39 I 4.3964 8.5672 123.7910 61.2754 37.6974 176.4763 40 L 4.4288 9.0371 127.7558 56.1989 43.0885 177.1792 41 Q 4.7223 7.7463 115.3788 54.7309 33.7276 174.0977 42 Y 5.0150 8.4823 122.7833 57.0703 41.4926 173.8939 43 N 5.0177 8.7822 125.1793 51.6817 39.7962 176.3010 44 A 4.0463 9.0180 120.6404 55.2573 18.4226 179.8439 45 A 3.9866 7.9433 118.8824 55.1783 18.5875 179.4680 46 Q 4.0135 8.3436 117.8926 59.3685 29.1143 178.6258 47 G 3.8935 8.2160 106.4614 47.8590 0.0000 175.3153 48 D 4.4471 8.0273 120.1371 56.8699 40.7715 178.7072 49 I 3.9627 7.5988 120.1387 64.2352 37.3625 177.6030 50 T 4.5356 8.1517 107.5857 61.1460 69.8739 175.7596 51 G 4.0447 8.5020 109.6601 45.4391 0.0000 174.1782 52 R 4.0424 7.6025 118.4865 55.8216 30.8770 175.6101 53 D 4.6254 8.3814 120.9772 52.7949 41.8903 174.9641 54 P 4.1119 0.0000 0.0000 66.0326 31.1610 178.7379 55 K 4.0685 7.7678 115.6461 59.1625 31.9956 179.0419 56 Q 4.1160 7.9005 117.4247 57.7640 29.0449 177.7059 57 V 3.9862 7.2696 112.1678 60.6730 32.3133 176.1147 58 I 4.0334 7.1166 119.9999 62.7264 37.3640 176.1562 59 G 3.9753 9.1830 114.4392 45.2013 0.0000 173.9813 60 K 4.2285 7.8070 119.0881 55.5263 33.2666 175.2711 61 N 4.9371 9.0663 120.1563 52.4776 39.7840 175.8166 62 F 3.8333 9.0912 128.9915 61.2369 39.6415 177.2160 63 F 3.8013 7.6578 117.5157 59.6588 39.1548 176.7725 64 K 4.0140 8.3222 120.8545 58.6926 32.4064 176.6510 65 D 4.5997 7.8528 115.4574 55.9756 42.2745 178.0681 66 V 3.6564 7.4821 116.1540 64.8074 32.5670 176.1988 67 A 4.3344 7.2093 120.4926 49.8497 18.5371 175.1795 68 P 4.1631 0.0000 0.0000 64.6870 32.0026 179.0077 69 C 4.2639 7.7511 113.2466 60.4929 29.8363 174.2073 70 T 4.2227 7.7444 110.2835 62.0240 68.8201 174.2080 71 D 5.2156 7.7177 123.1311 53.1578 39.7774 174.6674 72 S 4.7458 8.0093 116.8308 55.9635 65.3160 173.6052 73 P 4.3027 0.0000 0.0000 65.5465 31.2363 178.5408 74 E 4.0245 8.2556 116.1216 57.9619 29.3049 175.8066 75 F 4.5167 7.3942 118.6281 58.4746 42.4021 175.4707 76 Y 4.1563 9.0792 120.3935 60.9772 38.8684 179.2405 77 G 3.4875 8.3382 106.4146 47.6215 0.0000 175.8598 78 K 3.9307 7.5945 121.1142 59.0727 31.9830 179.1379 79 F 4.0822 8.3511 121.1702 61.2923 39.4204 177.3985 80 K 3.6674 8.3631 118.7443 59.6509 32.3099 178.7558 81 E 3.9136 8.0763 120.8296 58.9143 29.5442 178.9833 82 G 3.6914 7.8987 105.8636 46.8217 0.0000 175.8335 83 V 3.3421 7.4165 121.0890 64.8832 31.4768 177.6845 84 A 4.0556 7.5933 119.5839 55.1925 18.3389 179.3834 85 S 4.3340 8.0287 111.9944 59.0219 63.0712 175.6682 86 G 4.0196 8.8599 109.1929 45.4113 0.0000 172.8358 87 N 5.0457 7.6385 115.3274 51.2008 40.3498 173.0610 88 L 4.6156 8.3245 121.3375 54.4167 45.8439 173.5745 89 N 5.0834 8.7531 124.4295 53.6590 40.3213 172.7964 90 T 4.8784 9.1355 120.2287 60.6084 71.5982 171.8598 91 M 5.4406 8.6165 126.3471 53.9720 35.3878 174.0344 92 F 4.9861 8.4960 118.8928 56.1258 41.7924 172.8576 93 E 4.9431 8.9015 119.2025 56.2789 30.8026 175.0327 94 Y 4.8944 8.8191 122.1429 57.0037 43.1795 173.2107 95 T 4.9597 7.8338 119.4400 61.7835 71.2343 173.5421 96 F 5.3480 9.1096 126.1514 56.0387 40.7441 176.6136 97 D 4.8573 8.7267 122.0876 53.3696 40.1190 174.2791 98 Y 4.4814 8.3003 121.4321 57.8309 38.5292 174.4214 99 Q 3.3313 8.4376 126.1884 56.2127 26.4339 173.2045 100 M 4.6832 7.5544 111.9623 54.1319 33.7930 174.1940 101 T 3.9383 8.3385 116.6333 63.0108 69.0309 172.7178 102 P 4.6577 0.0000 0.0000 63.5712 32.1124 175.8429 103 T 4.6197 8.9828 120.5316 61.6041 71.8737 172.9280 104 K 4.6641 8.6534 128.0543 55.9071 33.8715 175.7965 105 V 4.5183 8.6731 119.4447 59.5376 36.8212 173.9046 106 K 4.7541 8.7860 123.9036 54.9717 34.0426 175.1420 107 V 4.9832 8.6159 127.3525 61.2516 34.5672 173.5342 108 H 5.3153 9.4564 127.3172 54.7975 32.6213 171.7798 109 M 5.1848 9.1258 126.1777 53.6293 34.5257 175.1578 110 K 5.2193 8.9570 123.6157 54.5143 36.3633 175.1210 111 K 4.4186 8.7600 128.4876 56.5463 32.7497 176.4775 112 A 4.5426 8.2004 129.0242 51.4116 18.9476 177.5684 113 L 4.0599 8.7663 120.8603 57.3134 42.3442 177.3145 114 S 4.7961 7.8002 113.3446 57.4257 66.4269 176.4243 115 G 3.8146 7.7370 111.3185 46.6019 0.0000 175.4530 116 D 5.0465 8.5176 119.6614 52.7469 39.4728 173.8304 117 S 4.8791 7.3376 111.6356 56.8525 67.1135 174.4293 118 Y 4.7680 8.6169 118.1225 56.1980 42.2308 174.3567 119 W 4.7906 9.2622 123.7972 55.3410 31.6515 175.4487 120 V 4.6140 8.6531 123.4789 61.1917 33.6441 174.1203 121 F 5.7598 9.1702 127.0782 55.9160 42.0228 174.9179 122 V 5.3342 9.3428 121.9268 61.2982 35.1683 174.1781 123 K 4.9512 8.7307 125.0443 55.0150 36.3018 175.8625 124 R 4.3761 8.4975 119.9812 56.3033 31.1091 177.2936 125 V 3.9375 7.7499 113.4133 61.6862 32.4401 175.7254 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 4.51 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.46 0.00 2 E 8.77 4.15 0.00 1.75 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 2.24 2.54 0.00 3 H 9.02 4.78 0.00 2.98 3.27 0.00 5.84 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.18 4.34 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 0.79 0.00 0.00 0.88 0.00 0.00 5 A 8.39 4.60 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 6 F 8.52 3.09 0.00 2.47 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 7 G 7.61 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.38 4.12 0.00 3.82 3.72 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 0.00 0.00 0.00 0.00 9 E 8.80 4.00 0.00 1.91 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 2.30 2.38 0.00 10 D 7.62 5.01 0.00 2.65 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 11 I 7.50 3.61 1.73 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.03 0.82 0.00 0.00 12 E 8.13 4.08 0.00 2.42 2.36 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 2.42 2.43 0.00 13 N 7.90 4.40 0.00 2.90 2.93 0.00 0.00 7.04 6.82 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 14 T 7.79 4.01 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 1.17 0.00 0.00 15 L 8.10 4.17 0.00 1.53 1.41 0.76 -0.03 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 16 A 7.71 4.28 1.44 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 17 K 7.58 4.25 0.00 1.97 1.95 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.60 1.47 7.81 18 M 7.22 4.62 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 19 D 8.32 4.83 0.00 2.74 2.64 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 0.00 0.00 0.00 20 D 8.63 4.53 0.00 2.85 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 21 G 8.09 3.78 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 0.00 0.00 0.00 22 Q 8.03 4.02 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 23 L 8.20 4.04 0.00 1.95 1.76 1.19 0.94 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 24 D 7.71 4.67 0.00 2.84 2.72 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 0.00 0.00 0.00 0.00 25 G 7.91 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 0.00 0.00 0.00 26 L 6.77 4.14 0.00 1.21 0.56 0.57 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.96 4.21 1.32 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 28 F 6.76 5.12 0.00 3.33 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 29 G 9.47 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 0.00 0.00 0.00 0.00 30 A 9.42 5.55 1.46 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 0.00 0.00 31 I 9.00 5.00 1.65 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.58 0.82 0.00 0.00 32 Q 8.93 4.63 0.00 1.33 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 33 L 8.82 5.32 0.00 1.73 1.59 0.32 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.80 5.30 0.00 2.98 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 35 G 8.06 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 36 D 8.49 4.71 0.00 2.88 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 37 G 8.86 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 38 N 8.63 4.95 0.00 3.10 2.75 0.00 0.00 7.02 8.15 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 39 I 8.57 4.40 2.02 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 1.25 0.73 1.04 0.00 0.00 40 L 9.04 4.43 0.00 1.47 1.66 0.84 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.75 4.72 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 42 Y 8.48 5.02 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 43 N 8.78 5.02 0.00 3.04 2.98 0.00 0.00 6.45 8.06 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 44 A 9.02 4.05 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 45 A 7.94 3.99 1.32 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 46 Q 8.34 4.01 0.00 2.03 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 1.35 2.15 0.00 47 G 8.22 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 0.00 0.00 0.00 48 D 8.03 4.45 0.00 2.90 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 49 I 7.60 3.96 2.12 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 1.64 0.65 1.07 0.00 0.00 50 T 8.15 4.54 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 1.42 0.00 0.00 51 G 8.50 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 0.00 0.00 0.00 0.00 52 R 7.60 4.04 0.00 1.89 1.67 0.00 3.29 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 53 D 8.38 4.63 0.00 2.68 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 54 P 0.00 4.11 0.00 2.28 2.60 0.00 3.70 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 55 K 7.77 4.07 0.00 1.66 1.86 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.53 7.81 56 Q 7.90 4.12 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 57 V 7.27 3.99 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 0.61 0.00 0.00 0.08 0.00 0.00 58 I 7.12 4.03 1.85 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 1.46 0.77 0.97 0.00 0.00 59 G 9.18 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 0.00 0.00 0.00 60 K 7.81 4.23 0.00 1.88 1.66 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.31 7.81 61 N 9.07 4.94 0.00 2.69 2.70 0.00 0.00 7.19 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 62 F 9.09 3.83 0.00 2.73 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 0.00 0.00 0.00 0.00 63 F 7.66 3.80 0.00 2.48 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 0.00 0.00 0.00 0.00 64 K 8.32 4.01 0.00 1.67 1.75 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.36 7.81 65 D 7.85 4.60 0.00 2.71 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 66 V 7.48 3.66 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 0.65 0.00 0.00 0.81 0.00 0.00 67 A 7.21 4.33 -0.11 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 0.00 0.00 68 P 0.00 4.16 0.00 1.85 1.91 0.00 3.15 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.46 0.00 69 C 7.75 4.26 0.00 3.25 3.18 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 0.00 0.00 0.00 0.00 70 T 7.74 4.22 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 0.57 0.00 0.00 71 D 7.72 5.22 0.00 2.75 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 72 S 8.01 4.75 0.00 4.07 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 73 P 0.00 4.30 0.00 2.23 2.08 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 74 E 8.26 4.02 0.00 2.24 2.17 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 2.40 2.39 0.00 75 F 7.39 4.52 0.00 2.67 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 76 Y 9.08 4.16 0.00 2.98 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 77 G 8.34 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 78 K 7.59 3.93 0.00 2.06 1.84 0.00 1.09 0.00 0.00 1.30 0.00 0.00 2.70 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.30 7.81 79 F 8.35 4.08 0.00 3.38 3.28 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 80 K 8.36 3.67 0.00 1.79 1.69 0.00 1.07 0.00 0.00 1.32 0.00 0.00 2.85 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.01 1.49 7.81 81 E 8.08 3.91 0.00 2.06 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 2.23 2.41 0.00 82 G 7.90 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 0.00 0.00 0.00 83 V 7.42 3.34 1.71 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 0.90 0.00 0.00 -0.69 0.00 0.00 84 A 7.59 4.06 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 85 S 8.03 4.33 0.00 3.84 3.92 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 86 G 8.86 4.02 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 0.00 0.00 0.00 87 N 7.64 5.05 0.00 2.93 2.89 0.00 0.00 5.57 6.67 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 88 L 8.32 4.62 0.00 1.79 1.66 0.96 0.56 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 89 N 8.75 5.08 0.00 2.78 2.74 0.00 0.00 6.87 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 90 T 9.14 4.88 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 1.40 0.00 0.00 91 M 8.62 5.44 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 92 F 8.50 4.99 0.00 3.16 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 93 E 8.90 4.94 0.00 1.96 1.95 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 2.27 2.33 0.00 94 Y 8.82 4.89 0.00 3.28 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 95 T 7.83 4.96 4.15 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 1.24 0.00 0.00 96 F 9.11 5.35 0.00 3.05 2.91 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 97 D 8.73 4.86 0.00 2.77 2.75 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 98 Y 8.30 4.48 0.00 2.80 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 99 Q 8.44 3.33 0.00 1.82 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.51 0.00 0.00 0.00 0.00 0.00 1.69 1.16 0.00 100 M 7.55 4.68 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 101 T 8.34 3.94 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 1.23 0.00 0.00 102 P 0.00 4.66 0.00 1.96 2.05 0.00 3.64 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 2.05 2.17 0.00 103 T 8.98 4.62 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 1.25 0.00 0.00 104 K 8.65 4.66 0.00 1.82 1.63 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.44 7.81 105 V 8.67 4.52 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 0.51 0.00 0.00 0.29 0.00 0.00 106 K 8.79 4.75 0.00 1.66 1.36 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.71 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.35 7.81 107 V 8.62 4.98 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 0.00 0.00 0.52 0.00 0.00 0.88 0.00 0.00 108 H 9.46 5.32 0.00 2.91 2.92 0.00 5.62 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.13 5.18 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 110 K 8.96 5.22 0.00 1.75 1.76 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.62 7.81 111 K 8.76 4.42 0.00 1.96 1.74 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.70 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.04 7.81 112 A 8.20 4.54 0.98 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 0.00 0.00 113 L 8.77 4.06 0.00 1.70 1.76 0.94 0.89 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 0.00 114 S 7.80 4.80 0.00 3.88 3.70 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 0.00 115 G 7.74 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 0.00 116 D 8.52 5.05 0.00 2.63 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 0.00 117 S 7.34 4.88 0.00 3.64 3.67 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 0.00 118 Y 8.62 4.77 0.00 3.26 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 0.00 119 W 9.26 4.79 0.00 2.95 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 0.00 0.00 0.00 120 V 8.65 4.61 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 1.17 0.00 0.00 0.87 0.00 0.00 121 F 9.17 5.76 0.00 2.78 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 0.00 122 V 9.34 5.33 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 1.24 0.00 0.00 1.23 0.00 0.00 123 K 8.73 4.95 0.00 1.61 1.50 0.00 0.99 0.00 0.00 0.82 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.30 0.91 7.81 124 R 8.50 4.38 0.00 1.68 1.87 0.00 3.15 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 125 V 7.75 3.94 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 0.55 0.00 0.00 0.88 0.00 0.00