NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.6066 0.0000 0.0000 62.6497 33.5936 174.6199 2 I 4.6508 8.1401 122.0808 60.1472 38.7821 170.3659 3 V 4.6293 8.3578 117.9372 60.1949 37.3146 173.0052 4 Q 4.9538 8.5002 120.1298 55.2196 30.0718 175.6309 5 N 4.7238 9.0778 120.4645 51.2746 38.9757 175.6967 6 L 3.9757 8.3697 119.5414 57.2621 42.0817 177.1111 7 Q 4.3293 8.1637 115.0264 55.9426 29.6045 176.1616 8 G 4.0149 8.5507 106.7124 44.9086 0.0000 173.1210 9 Q 4.5060 9.6004 120.1024 54.5021 30.6708 175.0668 10 M 4.8176 8.6295 123.9244 55.4872 32.6826 175.8986 11 V 4.6016 8.9787 123.1551 59.9453 35.8940 173.9913 12 H 5.0263 8.7483 120.6450 56.0647 30.5009 173.9662 13 Q 4.6004 8.7002 125.1113 53.8391 31.8964 175.0166 14 A 4.1450 8.4566 127.5572 51.6296 19.2490 177.1229 15 I 3.8075 8.0111 120.6033 60.4405 38.8907 176.5331 16 S 4.2550 8.5154 122.2388 57.7550 64.0188 173.3314 17 P 4.3429 0.0000 0.0000 65.6902 31.2672 179.1074 18 R 3.9719 7.9349 118.2391 59.4842 30.0381 178.9743 19 T 3.8982 7.8565 115.0999 66.3859 68.3927 176.3369 20 L 4.0953 8.0924 121.0240 58.2620 41.7666 179.4913 21 N 4.3668 8.7533 116.2850 56.1124 38.4281 177.3430 22 A 4.0182 8.2839 122.4056 54.9389 18.4891 179.4707 23 W 4.3121 8.2641 126.7785 60.6584 30.7067 178.2038 24 V 3.2813 8.2109 118.5672 66.0327 30.8419 178.2333 25 K 3.8860 7.9771 118.1168 59.1245 31.7870 179.5878 26 V 3.4207 7.6622 118.6550 66.0235 31.4998 178.3785 27 V 3.1607 6.9398 117.8785 65.5454 30.9476 177.7926 28 E 3.8457 7.8340 117.9632 59.2623 29.3534 178.6714 29 E 4.0621 8.0380 118.2219 58.3957 30.2011 177.9466 30 K 4.2773 8.1845 115.7857 55.8909 33.1687 176.9561 31 A 3.1490 7.9571 122.4739 53.6171 18.0917 179.2923 32 F 4.4009 6.7233 106.2693 57.5509 39.2622 175.4220 33 S 4.5920 7.6654 116.0838 57.3527 64.4627 173.8113 34 P 4.2578 0.0000 0.0000 66.2550 30.8543 178.6074 35 E 4.1848 7.9143 114.8224 58.6619 29.2285 179.5893 36 V 3.6741 8.2096 113.3824 63.9152 31.4730 178.4284 37 I 3.8352 7.8129 120.2030 63.9410 36.9969 176.6488 38 P 4.4051 0.0000 0.0000 65.8093 30.9447 178.2178 39 M 4.0985 7.7887 118.7808 58.1065 31.7491 178.1084 40 F 3.4614 8.3536 120.0814 61.3123 39.6748 176.8931 41 S 4.0737 8.2035 112.4554 61.1713 61.9666 175.9324 42 A 4.0143 8.0733 123.0275 54.5735 18.2706 178.7930 43 L 4.2154 7.9173 115.7385 55.4621 42.1475 177.5736 44 S 4.3648 7.1387 113.2209 57.4301 63.2240 173.2808 45 E 3.8800 8.1035 120.2784 58.7297 29.4283 177.3922 46 G 3.8192 8.3990 112.4987 45.4486 0.0000 172.8859 47 A 4.4263 7.6934 123.6331 52.0286 19.0146 178.2445 48 T 4.2112 8.7514 112.8825 60.5491 71.2579 174.3225 49 P 4.4966 0.0000 0.0000 65.7786 31.2698 178.5758 50 Q 4.0065 8.4679 118.3192 59.4521 28.9653 178.2671 51 D 4.3867 8.1829 119.6162 57.4329 40.8935 178.7025 52 L 3.9806 8.3053 119.7391 58.1697 41.5843 179.5039 53 N 4.5164 8.5500 116.1656 56.6306 38.2028 177.6741 54 T 3.9808 7.8581 116.6160 66.5863 68.6560 176.5757 55 M 4.3497 8.0626 120.8192 58.4767 32.1544 178.7215 56 L 4.2886 8.1731 119.1178 58.0734 41.6337 179.2868 57 N 4.6306 8.4733 115.2220 55.6431 38.5809 176.8997 58 T 4.2017 7.7021 110.3630 62.3423 69.4142 175.0266 59 V 3.7056 7.4342 122.7050 62.6589 32.1257 175.1980 60 G 3.9812 8.6204 116.2573 45.1852 0.0000 175.3348 61 G 3.7377 8.5975 111.2391 46.2473 0.0000 172.8598 62 H 4.2798 8.6646 110.9744 56.4889 27.0106 176.9347 63 Q 4.0140 8.3052 118.8516 59.1143 28.6900 178.1823 64 A 3.9853 7.9837 120.9913 55.1253 18.4859 179.4179 65 A 3.9457 8.0093 118.8624 55.6014 18.4863 179.6440 66 M 3.9226 8.3232 117.4548 58.3219 31.8875 178.8451 67 Q 3.9176 8.1759 119.8357 59.4629 29.2997 177.9819 68 M 3.9862 8.0709 119.2654 58.2723 32.1530 177.9541 69 L 3.8277 8.1063 120.7951 58.1019 42.2573 178.9098 70 K 3.9049 8.1410 118.5432 59.5286 31.9327 178.6750 71 E 3.9007 8.3887 119.5263 59.7602 29.5404 179.0903 72 T 3.9676 7.8803 115.5171 66.6727 68.4191 176.5052 73 I 3.8168 7.9427 121.8102 64.8161 37.2157 178.2625 74 N 4.3136 8.3828 117.2111 56.1103 38.3126 177.2903 75 E 3.8823 8.2533 120.3121 59.5413 29.4805 179.3410 76 E 3.5108 7.9780 118.2061 58.9765 29.3074 179.1931 77 A 3.4533 7.5334 120.7916 54.9834 18.4203 179.5896 78 A 4.0013 7.9702 119.1919 55.1049 18.4341 179.7863 79 E 3.8921 8.0934 117.3943 58.9885 29.2701 179.1105 80 W 4.1836 8.1097 127.9210 60.7463 31.2060 177.4111 81 D 4.6060 8.2984 118.6966 57.5040 40.0698 178.6902 82 R 3.8873 7.9139 117.9616 59.0260 30.1201 177.6029 83 L 4.4527 7.6141 115.7308 54.2910 42.9587 176.7507 84 H 4.5629 7.3007 116.6151 52.2713 28.8905 171.2713 85 P 4.3559 0.0000 0.0000 62.1313 32.0276 177.2991 86 V 3.7067 8.2552 120.2907 62.7194 32.1545 174.9258 87 A 4.5877 8.3547 129.2430 50.1029 20.5282 176.5819 88 A 4.1916 8.2822 126.2150 51.6062 19.3701 175.2960 89 G 4.1677 8.3990 105.0151 42.6371 0.0000 171.9456 90 P 4.5026 0.0000 0.0000 62.0451 32.2049 176.1550 91 I 3.9430 8.1349 121.8702 60.8313 38.0461 176.0038 92 A 4.3411 8.3230 127.4676 50.6588 19.3320 174.8708 93 P 4.4893 0.0000 0.0000 64.0346 31.7389 177.6563 94 G 3.9489 9.1029 110.4027 45.3967 0.0000 172.4103 95 Q 4.7421 7.7146 117.0332 54.2934 32.2772 174.1088 96 M 4.8533 8.0867 117.1474 53.2413 36.0862 175.3039 97 R 4.1049 8.6613 116.6903 56.4993 29.8321 176.3572 98 E 4.2259 8.6663 119.2960 55.6876 30.1508 175.3716 99 P 4.0030 0.0000 0.0000 62.6037 32.1445 176.7260 100 R 4.7552 8.6349 120.0335 54.6867 33.2148 178.0251 101 G 3.7856 9.6997 107.2630 48.2655 0.0000 176.2028 102 S 4.2389 8.0450 115.7528 60.9765 63.1062 176.3007 103 D 4.3034 7.7896 122.4320 57.4013 40.4661 178.4701 104 I 3.2555 7.1699 118.8149 63.9897 37.0519 178.0150 105 A 2.5800 7.4863 120.0315 52.7437 18.5863 178.5219 106 G 3.9144 7.9019 106.3655 45.1311 0.0000 175.8432 107 T 3.8809 7.8617 115.9945 66.5892 68.4437 175.1857 108 T 4.5970 7.7939 107.8491 60.9054 68.9448 173.7424 109 S 5.0562 7.6208 115.9736 56.7647 65.7491 173.7700 110 T 4.2568 8.9149 113.8525 60.4830 71.4256 175.6347 111 L 3.8590 8.3324 122.5292 58.7527 41.8976 179.1549 112 Q 3.9880 7.8748 117.2156 58.5712 28.7306 178.0941 113 E 3.3100 7.9005 119.7439 59.2982 29.4572 179.0866 114 Q 4.2565 7.9942 117.8972 59.5501 28.7602 179.5578 115 I 3.8328 8.3610 120.7646 64.2815 37.0471 178.8487 116 G 3.4548 8.2590 107.1730 47.3519 0.0000 175.9761 117 W 4.3640 8.1161 121.2833 60.0331 28.9170 178.6481 118 M 4.4383 8.3232 117.4456 57.5852 31.4394 177.2359 119 T 4.4298 7.4089 106.5804 61.3349 70.2971 173.9332 120 H 4.2322 7.8719 122.5186 56.3535 30.4551 173.0168 121 N 4.9552 7.6620 120.2556 50.8279 40.8962 172.3459 122 P 4.5741 0.0000 0.0000 61.5387 32.5213 173.9072 123 P 4.8825 0.0000 0.0000 61.4963 32.4501 175.8102 124 I 4.3796 8.4899 120.4089 58.8389 38.5538 175.7798 125 P 4.6260 0.0000 0.0000 62.0696 27.7916 177.1008 126 V 3.3859 7.6042 116.7708 64.6608 31.9610 178.3911 127 G 3.6077 7.7907 106.7565 47.1644 0.0000 175.6217 128 E 3.9122 7.9516 120.7399 58.9844 29.7031 179.1622 129 I 3.3989 7.5510 119.8264 64.6218 37.0914 177.9430 130 Y 3.3013 7.5378 120.1287 60.0529 38.5070 177.6973 131 K 3.7795 8.0142 120.7477 59.4760 32.3277 178.8102 132 R 3.9746 8.0808 118.5603 59.3148 29.9650 179.0636 133 W 4.4367 7.9232 118.1459 59.8680 29.0547 178.5908 134 I 3.5814 7.9503 119.9011 64.4314 36.4954 178.5364 135 I 3.7084 7.8867 120.5661 64.2789 36.4334 178.4185 136 L 4.1246 8.0596 119.9788 57.7167 41.4748 179.8066 137 G 3.5999 8.1659 105.5928 47.8987 0.0000 175.6021 138 L 3.9179 8.1944 122.2023 57.5505 41.3671 179.3592 139 N 4.3285 8.0403 115.4769 56.2371 38.6366 177.0625 140 K 4.1261 7.7210 120.5846 59.4099 32.2745 179.0195 141 I 3.8447 7.9086 113.4699 63.9372 37.5583 178.5886 142 V 4.2843 8.1470 115.6359 63.5473 31.0599 178.4054 143 R 3.9953 7.6933 117.3045 59.5363 29.9689 178.1620 144 M 4.2964 8.4084 116.6601 56.6130 32.2142 174.8401 145 Y 4.9353 8.1705 116.4455 56.0060 41.7549 175.7608 146 S 4.2773 8.5327 114.1039 59.0170 63.2785 173.7507 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 P 0.00 4.61 0.00 2.03 2.13 0.00 3.56 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.12 0.00 2 I 8.14 4.65 1.87 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 1.26 0.68 0.96 0.00 0.00 3 V 8.36 4.63 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 0.65 0.00 0.00 0.96 0.00 0.00 4 Q 8.50 4.95 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 5 N 9.08 4.72 0.00 2.83 3.09 0.00 0.00 6.44 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 6 L 8.37 3.98 0.00 1.60 1.73 0.91 0.68 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 7 Q 8.16 4.33 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 8 G 8.55 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 0.00 0.00 0.00 9 Q 9.60 4.51 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 10 M 8.63 4.82 0.00 1.90 2.02 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 2.60 2.48 0.00 11 V 8.98 4.60 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 0.74 0.00 0.00 0.94 0.00 0.00 12 H 8.75 5.03 0.00 3.16 3.23 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.70 4.60 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 14 A 8.46 4.14 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 15 I 8.01 3.81 2.06 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 1.27 0.72 0.92 0.00 0.00 16 S 8.52 4.26 0.00 3.91 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 17 P 0.00 4.34 0.00 2.32 2.30 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 18 R 7.93 3.97 0.00 1.92 2.02 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 19 T 7.86 3.90 4.45 0.00 0.00 0.00 0.00 0.00 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 20 L 8.09 4.10 0.00 1.92 1.83 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.75 4.37 0.00 2.97 2.88 0.00 0.00 6.98 7.30 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 22 A 8.28 4.02 1.41 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 23 W 8.26 4.31 0.00 3.40 3.35 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 24 V 8.21 3.28 2.24 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 1.03 0.00 0.00 0.95 0.00 0.00 25 K 7.98 3.89 0.00 2.06 1.79 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.52 7.81 26 V 7.66 3.42 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 0.92 0.00 0.00 1.02 0.00 0.00 27 V 6.94 3.16 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 -0.47 0.00 0.00 28 E 7.83 3.85 0.00 2.06 1.92 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 2.26 2.38 0.00 29 E 8.04 4.06 0.00 2.12 1.89 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 2.28 2.30 0.00 30 K 8.18 4.28 0.00 1.73 1.68 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.33 7.81 31 A 7.96 3.15 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 32 F 6.72 4.40 0.00 1.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.67 4.59 0.00 4.15 4.22 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 34 P 0.00 4.26 0.00 2.20 2.21 0.00 3.57 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 35 E 7.91 4.18 0.00 2.07 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 2.35 2.36 0.00 36 V 8.21 3.67 2.21 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 0.67 0.00 0.00 1.11 0.00 0.00 37 I 7.81 3.84 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.76 0.97 0.00 0.00 38 P 0.00 4.41 0.00 2.29 2.35 0.00 3.89 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 2.25 2.09 0.00 39 M 7.79 4.10 0.00 2.32 2.49 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.92 0.00 40 F 8.35 3.46 0.00 2.83 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 41 S 8.20 4.07 0.00 4.01 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 42 A 8.07 4.01 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 43 L 7.92 4.22 0.00 1.37 1.56 1.08 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.14 4.36 0.00 3.39 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 45 E 8.10 3.88 0.00 1.90 1.92 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 2.26 2.23 0.00 46 G 8.40 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 0.00 0.00 0.00 47 A 7.69 4.43 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 48 T 8.75 4.21 4.43 0.00 0.00 0.00 0.00 0.00 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 49 P 0.00 4.50 0.00 2.26 2.13 0.00 3.83 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 2.04 2.23 0.00 50 Q 8.47 4.01 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 51 D 8.18 4.39 0.00 2.98 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 52 L 8.31 3.98 0.00 1.93 1.66 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.55 4.52 0.00 2.97 2.97 0.00 0.00 7.08 6.66 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 54 T 7.86 3.98 4.48 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 1.26 0.00 0.00 55 M 8.06 4.35 0.00 1.71 2.22 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.45 0.00 56 L 8.17 4.29 0.00 1.80 1.81 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.47 4.63 0.00 3.00 2.95 0.00 0.00 7.10 8.30 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 58 T 7.70 4.20 4.34 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 1.39 0.00 0.00 59 V 7.43 3.71 2.33 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 0.93 0.00 0.00 1.22 0.00 0.00 60 G 8.62 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 61 G 8.60 3.74 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 0.00 0.00 0.00 62 H 8.66 4.28 0.00 3.55 3.63 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.31 4.01 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 64 A 7.98 3.99 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 65 A 8.01 3.95 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 66 M 8.32 3.92 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.94 0.00 67 Q 8.18 3.92 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 68 M 8.07 3.99 0.00 2.24 2.03 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 2.58 2.51 0.00 69 L 8.11 3.83 0.00 1.73 1.76 0.80 0.88 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 70 K 8.14 3.90 0.00 1.99 1.89 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.76 7.81 71 E 8.39 3.90 0.00 2.05 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 2.30 2.39 0.00 72 T 7.88 3.97 4.38 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 1.20 0.00 0.00 73 I 7.94 3.82 2.15 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 1.71 0.86 1.28 0.00 0.00 74 N 8.38 4.31 0.00 2.88 2.84 0.00 0.00 7.07 8.31 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 75 E 8.25 3.88 0.00 2.10 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 2.28 2.59 0.00 76 E 7.98 3.51 0.00 1.16 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 2.29 2.26 0.00 77 A 7.53 3.45 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 78 A 7.97 4.00 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 79 E 8.09 3.89 0.00 2.11 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 2.25 2.39 0.00 80 W 8.11 4.18 0.00 3.61 3.35 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 81 D 8.30 4.61 0.00 3.01 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 82 R 7.91 3.89 0.00 1.92 2.08 0.00 3.22 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 83 L 7.61 4.45 0.00 1.31 1.36 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 84 H 7.30 4.56 0.00 2.82 3.06 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.36 0.00 2.15 2.02 0.00 3.65 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 86 V 8.26 3.71 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 0.83 0.00 0.00 0.97 0.00 0.00 87 A 8.35 4.59 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 88 A 8.28 4.19 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 89 G 8.40 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 90 P 0.00 4.50 0.00 2.20 2.06 0.00 3.77 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 1.99 1.99 0.00 91 I 8.13 3.94 1.88 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 1.38 0.56 0.93 0.00 0.00 92 A 8.32 4.34 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 93 P 0.00 4.49 0.00 2.05 1.99 0.00 3.70 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 2.02 2.08 0.00 94 G 9.10 3.95 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 0.00 0.00 0.00 95 Q 7.71 4.74 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.64 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 96 M 8.09 4.85 0.00 1.72 1.86 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 97 R 8.66 4.10 0.00 2.04 2.08 0.00 3.20 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.12 0.00 98 E 8.67 4.23 0.00 2.05 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 2.39 2.38 0.00 99 P 0.00 4.00 0.00 1.33 0.49 0.00 3.49 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.05 0.00 100 R 8.63 4.76 0.00 1.94 2.07 0.00 3.40 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 101 G 9.70 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 0.00 0.00 0.00 102 S 8.04 4.24 0.00 4.06 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 0.00 103 D 7.79 4.30 0.00 2.75 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 0.00 104 I 7.17 3.26 1.48 0.00 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.31 -0.20 0.00 0.00 105 A 7.49 2.58 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 0.00 106 G 7.90 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 0.00 0.00 0.00 107 T 7.86 3.88 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 1.22 0.00 0.00 108 T 7.79 4.60 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 1.23 0.00 0.00 109 S 7.62 5.06 0.00 4.35 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 0.00 110 T 8.91 4.26 4.19 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 1.22 0.00 0.00 111 L 8.33 3.86 0.00 1.88 1.66 0.80 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.87 3.99 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 113 E 7.90 3.31 0.00 1.94 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 1.93 2.13 0.00 114 Q 7.99 4.26 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.52 2.66 0.00 115 I 8.36 3.83 1.93 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.05 0.88 0.00 0.00 116 G 8.26 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.12 4.36 0.00 3.61 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 0.00 118 M 8.32 4.44 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.57 0.00 119 T 7.41 4.43 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 1.23 0.00 0.00 120 H 7.87 4.23 0.00 3.46 3.51 0.00 5.52 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 0.00 121 N 7.66 4.96 0.00 2.61 2.56 0.00 0.00 7.03 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 0.00 122 P 0.00 4.57 0.00 2.26 2.07 0.00 3.94 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 123 P 0.00 4.88 0.00 2.25 2.25 0.00 3.35 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 124 I 8.49 4.38 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.61 0.73 0.00 0.00 125 P 0.00 4.63 0.00 2.22 2.21 0.00 3.71 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 126 V 7.60 3.39 1.78 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 0.33 0.00 0.00 1.04 0.00 0.00 127 G 7.79 3.61 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 0.00 128 E 7.95 3.91 0.00 2.06 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 2.36 2.32 0.00 129 I 7.55 3.40 1.28 0.00 0.00 0.56 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 1.13 0.22 0.00 0.00 130 Y 7.54 3.30 0.00 2.60 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 0.00 131 K 8.01 3.78 0.00 1.89 1.92 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.53 7.81 132 R 8.08 3.97 0.00 2.03 2.10 0.00 3.23 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 133 W 7.92 4.44 0.00 3.59 3.19 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 0.00 134 I 7.95 3.58 1.80 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.06 0.30 0.00 0.00 135 I 7.89 3.71 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.00 0.95 0.00 0.00 136 L 8.06 4.12 0.00 1.97 1.75 1.06 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.17 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 0.00 138 L 8.19 3.92 0.00 1.75 1.75 0.63 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.04 4.33 0.00 3.01 2.90 0.00 0.00 7.01 7.10 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 0.00 140 K 7.72 4.13 0.00 1.84 1.96 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 141 I 7.91 3.84 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 0.00 1.59 0.80 0.87 0.00 0.00 142 V 8.15 4.28 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 1.35 0.00 0.00 1.07 0.00 0.00 143 R 7.69 4.00 0.00 1.84 2.04 0.00 3.28 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.96 0.00 144 M 8.41 4.30 0.00 1.72 2.26 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 145 Y 8.17 4.94 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 0.00 146 S 8.53 4.28 0.00 3.95 3.80 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