NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4604 8.3044 120.3315 55.2938 34.1598 175.6857 2 V 4.1119 7.6565 116.4741 62.0262 32.2257 173.7388 3 K 4.6457 8.6145 126.1951 54.9161 36.2913 173.8658 4 Q 4.8000 8.6715 128.4505 55.2360 30.1108 175.5573 5 I 4.1374 8.1506 127.6646 61.6389 38.0713 175.1132 6 E 4.5537 8.7533 118.6374 58.0635 33.0423 175.4268 7 S 4.6318 7.4419 110.2744 56.4617 65.7755 173.8594 8 K 3.9647 8.3787 118.7213 60.6722 31.6535 179.4964 9 T 3.9102 8.1533 115.2799 66.7650 68.2395 176.1645 10 A 4.0033 7.6676 122.1594 55.2697 18.4200 179.2409 11 F 4.0450 8.2145 117.8839 61.7053 39.0492 177.5123 12 Q 3.8998 8.0223 117.0378 58.8564 28.6950 177.9846 13 E 3.8947 7.7611 119.0862 59.4006 29.6482 179.1433 14 A 3.9160 7.9091 120.5416 55.4036 18.2536 179.5513 15 L 3.9649 7.0658 114.0593 56.6128 41.6855 178.0977 16 D 4.5504 8.1945 117.1507 54.8372 41.6817 176.8147 17 A 4.5580 7.4980 118.2176 51.8364 19.9919 176.6062 18 A 4.4537 7.6514 120.2612 50.8144 20.7706 179.8480 19 G 3.9858 8.2208 110.0112 47.3926 0.0000 175.0516 20 D 4.7519 8.9787 120.3711 51.8965 41.2527 175.9270 21 K 4.0250 7.4599 118.4419 56.3430 32.8765 176.3087 22 L 3.8462 8.3328 119.7649 55.8828 42.8915 176.6579 23 V 4.6117 8.4502 122.9257 61.0237 33.5027 173.1283 24 V 4.3638 7.9583 127.3954 61.1022 33.1030 174.7339 25 V 4.5328 8.9601 128.5205 61.8506 33.9916 174.1067 26 D 4.7170 8.1094 125.3376 52.0668 42.0085 173.3633 27 F 4.4631 8.7819 122.1153 56.8251 39.6982 174.2272 28 S 4.7802 8.6079 117.6035 56.9106 67.1491 172.4552 29 A 4.8617 8.1575 121.4787 51.1929 19.1092 177.5741 30 T 4.0282 9.3651 117.3971 63.8814 68.1362 176.4033 31 W 4.2533 8.1386 117.7704 59.3807 27.8600 176.2189 32 C 3.2980 5.7800 118.9927 58.8775 31.0967 173.1267 33 G 3.5814 7.7811 108.1981 46.1976 0.0000 174.1490 34 P 4.2824 0.0000 0.0000 64.8205 31.5914 178.4841 35 C 4.1738 7.6566 115.2264 62.5342 28.0669 174.9443 36 K 4.3549 6.9255 117.9627 57.2054 31.7341 177.6689 37 M 4.2876 7.6965 117.6901 57.5430 31.9496 176.1442 38 I 4.6187 7.4229 120.0077 61.4961 38.2135 178.0013 39 K 4.1827 8.2862 123.6906 58.8732 32.3691 176.5844 40 P 4.3905 0.0000 0.0000 64.0106 31.4099 176.4580 41 F 4.5224 8.2299 116.1503 59.0707 40.3096 176.8283 42 F 4.4694 8.0325 119.9467 60.3834 39.5850 175.9388 43 H 4.2824 8.8928 120.6673 57.9259 29.7077 176.4280 44 S 4.3172 7.8299 112.2266 59.1963 63.5062 175.2431 45 L 3.8445 7.2561 121.0715 56.2171 41.8700 178.4559 46 S 3.9787 7.2091 112.7907 60.7312 62.0857 175.2998 47 E 4.2742 7.2066 119.8368 58.9695 29.9918 177.5670 48 K 3.9210 7.9811 117.5643 58.6887 32.2935 176.2296 49 Y 4.3490 7.9788 127.5370 57.3680 37.1367 175.8000 50 S 4.6264 8.5722 118.9414 58.3811 63.9809 174.4453 51 N 4.6535 8.1313 118.5289 54.2424 39.7585 174.6223 52 V 4.0755 7.7284 116.8917 62.0786 33.1193 174.9014 53 I 4.4547 7.8581 125.3766 59.6154 39.8330 174.7944 54 F 5.2251 8.5760 123.2491 55.7882 42.8698 173.9072 55 L 5.4202 8.9620 121.5609 52.9625 46.2715 175.0158 56 E 4.8493 9.2056 121.2135 54.4878 33.2776 174.3244 57 V 4.5836 8.0362 125.8775 61.0110 34.8814 173.4866 58 D 5.1940 8.5431 127.1826 52.4782 42.6486 177.2990 59 V 4.2178 8.2007 121.7125 62.1686 30.5569 177.0672 60 D 4.5666 9.0192 119.5931 55.5957 43.3099 175.5346 61 D 4.8494 8.1785 114.0485 54.4371 42.0102 175.5287 62 C 5.3325 7.4958 114.8420 58.5209 29.7428 175.6391 63 Q 4.2790 8.4764 120.6792 58.5022 28.2361 178.0360 64 D 4.2966 8.0099 120.3848 56.1225 39.5181 178.2462 65 V 3.6436 8.2335 119.4501 64.6910 31.7969 177.9783 66 A 3.7384 7.8108 121.3787 55.2381 18.4343 179.1645 67 S 4.3111 8.0741 109.6802 60.1084 62.9938 174.9860 68 E 4.1018 7.5590 120.9171 58.1597 29.5991 176.6422 69 C 4.2626 7.5319 113.5073 58.9047 28.7199 172.9462 70 E 3.6552 7.8411 118.1095 56.8083 26.5340 174.4948 71 V 3.6809 7.4229 116.2096 63.4020 32.2896 175.1425 72 K 4.5267 7.9476 119.4308 55.2710 34.1418 175.2883 73 C 4.8186 7.5112 109.1064 58.6392 31.3729 173.2753 74 T 4.4099 8.4402 115.0982 59.2491 70.4969 172.5858 75 P 4.5156 0.0000 0.0000 63.0352 33.4692 175.1749 76 T 4.4864 8.5270 117.5155 61.8391 72.0034 173.0173 77 F 4.9808 8.0294 125.9058 56.6456 40.5937 175.2219 78 Q 5.1503 9.1238 121.6879 54.1247 33.0065 174.2487 79 F 5.0795 9.3213 121.0822 55.7774 41.6017 174.6342 80 F 5.4568 9.4375 122.2696 55.7261 43.0022 174.2910 81 K 4.4664 9.0463 122.5234 55.9309 35.5835 176.1009 82 K 3.8602 10.2328 126.0797 57.0862 30.9835 175.0499 83 G 3.9949 9.1596 103.4910 45.9914 0.0000 173.4569 84 Q 4.6504 8.4297 117.5802 53.3349 32.6866 174.7150 85 K 4.3860 9.0014 124.0957 56.5994 32.7166 176.6981 86 V 4.4248 8.3338 117.9180 61.0658 34.1773 175.7649 87 G 4.1227 7.4727 105.2931 45.0209 0.0000 171.7196 88 E 5.4328 8.4107 119.7608 55.1427 32.7606 174.6482 89 F 5.1450 9.0864 122.3699 55.5706 41.4962 174.1107 90 S 4.7626 9.5242 116.9047 56.3310 65.7527 172.1589 91 G 4.2105 7.8025 105.4357 43.5119 0.0000 174.9137 92 A 4.3502 8.3676 124.1342 52.0278 18.0176 177.3743 93 N 4.7621 8.7751 120.8518 53.8957 39.4086 174.8758 94 K 4.3758 8.4292 126.2617 59.0967 33.4452 178.1496 95 E 4.1135 8.0314 117.6612 58.1373 29.5713 178.3317 96 K 4.0061 7.8999 119.8448 58.7024 32.3375 177.9792 97 L 4.0817 7.9005 119.5671 58.8174 41.6496 178.3804 98 E 3.7612 8.5725 116.2315 59.9851 29.1001 178.3396 99 A 4.0052 7.9461 122.0479 55.9182 19.0172 179.2552 100 T 3.8523 8.2024 114.1447 67.0062 68.5385 176.8079 101 I 4.0252 8.4645 121.8770 64.4020 36.8987 177.7471 102 N 4.4539 8.0077 116.4108 55.5586 38.7497 176.3190 103 E 4.0607 8.3763 120.6753 59.1789 29.9700 177.1158 104 L 4.5513 7.5607 114.6423 53.9890 42.4952 176.8060 105 V 3.8017 7.7671 124.5289 62.2355 31.0243 175.9207 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 4.46 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 2 V 7.66 4.11 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 0.95 0.00 0.00 0.74 0.00 0.00 3 K 8.61 4.65 0.00 1.88 1.59 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.50 7.81 4 Q 8.67 4.80 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 5 I 8.15 4.14 1.91 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 1.42 1.07 1.08 0.00 0.00 6 E 8.75 4.55 0.00 1.91 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 2.22 2.29 0.00 7 S 7.44 4.63 0.00 3.97 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 8 K 8.38 3.96 0.00 1.92 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.54 7.81 9 T 8.15 3.91 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 1.22 0.00 0.00 10 A 7.67 4.00 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 11 F 8.21 4.04 0.00 2.95 3.30 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 12 Q 8.02 3.90 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.48 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 13 E 7.76 3.89 0.00 2.05 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 2.37 2.47 0.00 14 A 7.91 3.92 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 15 L 7.07 3.96 0.00 1.47 1.52 -0.12 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.19 4.55 0.00 2.65 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 A 7.50 4.56 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 18 A 7.65 4.45 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 19 G 8.22 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 20 D 8.98 4.75 0.00 2.71 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 21 K 7.46 4.02 0.00 1.79 1.87 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.41 7.81 22 L 8.33 3.85 0.00 1.51 1.47 0.96 0.80 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 23 V 8.45 4.61 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 0.80 0.00 0.00 0.98 0.00 0.00 24 V 7.96 4.36 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 0.52 0.00 0.00 0.26 0.00 0.00 25 V 8.96 4.53 2.39 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 -0.03 0.00 0.00 1.29 0.00 0.00 26 D 8.11 4.72 0.00 1.67 2.23 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 27 F 8.78 4.46 0.00 3.11 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 28 S 8.61 4.78 0.00 3.69 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 29 A 8.16 4.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 9.37 4.03 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 31 W 8.14 4.25 0.00 3.67 3.21 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 0.00 32 C 5.78 3.30 0.00 1.23 1.47 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 33 G 7.78 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.28 0.00 1.96 2.12 0.00 3.56 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.17 0.00 35 C 7.66 4.17 0.00 2.68 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 36 K 6.93 4.35 0.00 1.86 1.75 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.43 7.81 37 M 7.70 4.29 0.00 2.22 2.19 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 2.66 2.63 0.00 38 I 7.42 4.62 1.96 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 1.18 0.95 1.10 0.00 0.00 39 K 8.29 4.18 0.00 1.88 2.07 0.00 1.82 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.56 7.81 40 P 0.00 4.39 0.00 1.71 1.94 0.00 3.95 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 41 F 8.23 4.52 0.00 3.29 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 42 F 8.03 4.47 0.00 3.19 3.29 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 43 H 8.89 4.28 0.00 3.16 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.83 4.32 0.00 3.91 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 45 L 7.26 3.84 0.00 0.86 1.39 0.86 0.73 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 46 S 7.21 3.98 0.00 3.74 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 47 E 7.21 4.27 0.00 1.72 1.91 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 2.24 2.22 0.00 48 K 7.98 3.92 0.00 1.61 1.59 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.85 1.32 7.81 49 Y 7.98 4.35 0.00 3.33 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 50 S 8.57 4.63 0.00 4.00 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 51 N 8.13 4.65 0.00 2.76 2.96 0.00 0.00 6.98 7.73 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 52 V 7.73 4.08 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 0.07 0.00 0.00 0.85 0.00 0.00 53 I 7.86 4.45 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.47 0.86 0.00 0.00 54 F 8.58 5.23 0.00 2.81 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 55 L 8.96 5.42 0.00 1.63 1.55 1.01 0.90 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 56 E 9.21 4.85 0.00 2.04 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 2.17 2.37 0.00 57 V 8.04 4.58 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 0.96 0.00 0.00 0.53 0.00 0.00 58 D 8.54 5.19 0.00 2.88 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.20 4.22 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 0.70 0.00 0.00 1.13 0.00 0.00 60 D 9.02 4.57 0.00 2.72 2.92 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 61 D 8.18 4.85 0.00 2.67 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 62 C 7.50 5.33 0.00 3.07 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 63 Q 8.48 4.28 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 64 D 8.01 4.30 0.00 2.86 2.92 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 65 V 8.23 3.64 2.08 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 0.47 0.00 0.00 0.91 0.00 0.00 66 A 7.81 3.74 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 67 S 8.07 4.31 0.00 3.91 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 68 E 7.56 4.10 0.00 1.97 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 0.00 2.25 2.27 0.00 69 C 7.53 4.26 0.00 2.69 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 70 E 7.84 3.66 0.00 2.03 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 2.18 2.22 0.00 71 V 7.42 3.68 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 0.71 0.00 0.00 0.73 0.00 0.00 72 K 7.95 4.53 0.00 1.64 1.68 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.46 7.81 73 C 7.51 4.82 0.00 3.05 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 74 T 8.44 4.41 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 1.20 0.00 0.00 75 P 0.00 4.52 0.00 1.58 1.90 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.88 0.00 76 T 8.53 4.49 4.16 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 1.11 0.00 0.00 77 F 8.03 4.98 0.00 2.06 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 78 Q 9.12 5.15 0.00 2.44 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 5.96 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 79 F 9.32 5.08 0.00 2.96 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 80 F 9.44 5.46 0.00 3.07 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 81 K 9.05 4.47 0.00 1.86 1.65 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.48 7.81 82 K 10.23 3.86 0.00 1.91 1.87 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.48 7.81 83 G 9.16 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 84 Q 8.43 4.65 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 85 K 9.00 4.39 0.00 1.85 1.74 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.05 7.81 86 V 8.33 4.42 2.08 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 0.79 0.00 0.00 1.00 0.00 0.00 87 G 7.47 4.12 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 0.00 88 E 8.41 5.43 0.00 1.92 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 2.16 2.27 0.00 89 F 9.09 5.15 0.00 3.16 3.10 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 0.00 0.00 0.00 90 S 9.52 4.76 0.00 4.02 3.84 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 91 G 7.80 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 0.00 0.00 0.00 0.00 92 A 8.37 4.35 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 93 N 8.78 4.76 0.00 2.75 2.90 0.00 0.00 7.05 6.53 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 94 K 8.43 4.38 0.00 1.95 1.99 0.00 1.05 0.00 0.00 1.79 0.00 0.00 2.24 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.19 0.64 7.81 95 E 8.03 4.11 0.00 1.93 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 2.28 2.32 0.00 96 K 7.90 4.01 0.00 1.68 1.50 0.00 1.36 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.47 0.99 7.81 97 L 7.90 4.08 0.00 1.90 1.77 0.85 -0.49 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 98 E 8.57 3.76 0.00 2.12 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 2.50 2.61 0.00 99 A 7.95 4.01 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 0.00 100 T 8.20 3.85 4.62 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 0.83 0.00 0.00 101 I 8.46 4.03 2.02 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 1.35 0.84 0.66 0.00 0.00 102 N 8.01 4.45 0.00 2.77 2.89 0.00 0.00 7.23 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 0.00 103 E 8.38 4.06 0.00 1.89 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 2.25 2.26 0.00 104 L 7.56 4.55 0.00 1.78 1.72 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.77 3.80 2.26 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 0.84 0.00 0.00 0.98 0.00 0.00