NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9074 8.0393 114.0277 61.3163 32.9332 174.3221 2 H 4.4788 8.1875 117.4097 53.7989 29.7288 173.0379 3 W 4.8604 8.4069 123.2243 54.6781 31.8702 177.9353 4 S 4.4662 9.0851 118.6452 58.2003 64.4891 175.2787 5 A 4.1254 8.4970 123.8752 54.7021 18.2402 179.6056 6 E 4.0075 8.1515 115.8283 58.9909 29.7999 179.1325 7 E 3.9530 7.9303 119.1881 59.4811 29.6760 179.2242 8 K 3.5740 7.7793 118.2169 59.3039 31.8877 179.2255 9 Q 3.9475 7.6993 120.1167 59.0728 29.1587 178.0670 10 L 4.0530 8.0123 120.0533 57.5598 41.5958 179.6174 11 I 3.5261 7.8618 120.1301 64.6893 36.5445 178.5844 12 T 4.1193 7.8911 116.6820 66.4725 68.0065 176.8792 13 G 3.6832 8.2120 107.0979 47.7475 0.0000 174.9302 14 L 3.8564 7.6407 122.2173 57.5155 42.1503 178.8682 15 W 4.6782 8.7398 128.2065 60.7693 30.3283 178.0323 16 G 3.6691 7.9219 103.5414 46.7204 0.0000 174.8115 17 K 4.4002 7.9029 118.4898 55.3463 32.9051 176.9162 18 V 3.6043 6.8357 120.2907 62.4999 32.0517 175.7581 19 N 4.4739 8.3100 125.3948 52.4953 38.9503 175.7075 20 V 3.5281 8.0574 122.5498 64.2085 31.7432 178.3235 21 A 3.9516 7.8530 119.8750 55.4619 18.4253 179.3574 22 D 4.2951 8.3985 117.3811 57.3791 40.8528 178.9633 23 C 4.0227 8.1893 117.4818 62.6062 28.2203 176.2740 24 G 3.6563 8.3935 107.4929 47.7793 0.0000 175.5937 25 A 3.9902 8.0848 123.2966 54.7614 18.4200 179.3798 26 E 3.7993 8.2567 117.6293 59.2945 29.7546 178.9184 27 A 3.9512 8.3666 121.2559 55.0125 18.5326 179.3394 28 L 3.8649 8.1203 118.7052 58.2235 42.0497 178.9193 29 A 3.9423 7.8700 120.6103 55.4416 18.2342 179.9040 30 R 3.8087 8.0778 116.4402 58.9981 30.1809 178.9267 31 L 3.9772 7.9543 120.2970 58.3667 42.1724 179.1750 32 L 4.0285 7.8665 118.2744 57.1567 41.2560 179.2038 33 I 3.9603 7.0823 119.1263 63.4656 37.5026 177.9734 34 V 3.5869 7.6058 118.3927 64.3897 32.9238 176.0203 35 Y 4.2329 6.9537 116.8832 54.5181 37.2196 174.3201 36 P 4.5142 0.0000 0.0000 64.2134 31.4328 177.9596 37 W 4.4804 7.6082 115.9054 58.6422 28.5520 177.8412 38 T 4.3788 7.3358 110.9617 64.3575 68.2973 176.2834 39 Q 4.2611 8.0258 121.1385 58.6169 28.3861 178.3234 40 R 3.8324 7.5732 119.6995 59.3147 30.1151 178.0025 41 F 4.1842 7.8470 115.2481 58.3956 39.6492 175.8661 42 F 4.5458 7.7326 118.3254 56.5968 39.2396 177.9768 43 S 4.2139 8.0924 117.7152 61.3321 63.1434 175.8406 44 S 4.2474 8.0434 113.1819 59.6611 62.9491 174.4687 45 F 4.7690 8.3407 119.1704 57.8041 40.6038 176.9882 46 G 3.9084 7.6497 111.2217 46.0070 0.0000 176.6430 47 N 4.6341 9.1157 126.6662 52.9720 38.6089 173.9321 48 L 4.9554 8.1183 129.1056 54.3655 43.0427 178.2005 49 S 4.3599 7.9333 114.5311 60.5822 63.7805 174.5810 50 S 4.7132 7.5764 114.3238 54.9364 67.1941 172.9086 51 P 3.9946 0.0000 0.0000 66.4408 30.4806 178.8060 52 T 3.8548 7.8423 114.8327 66.2466 68.2315 176.4237 53 A 4.1033 9.0678 122.5916 54.7799 18.1524 179.4677 54 I 3.8770 8.4633 119.8485 64.4333 36.9668 178.4119 55 L 4.1645 8.5697 119.5388 56.8457 41.4478 178.3092 56 G 3.9909 7.2965 104.0603 45.0444 0.0000 173.1924 57 N 4.4918 7.8086 118.9467 52.6780 40.2610 174.1001 58 P 4.3384 0.0000 0.0000 64.9664 31.6565 178.1970 59 M 3.9190 7.7454 117.2183 57.1936 32.0723 178.4210 60 V 3.7668 7.5957 118.2507 65.9235 31.7618 178.1893 61 R 3.8652 7.7916 117.6589 59.1688 29.8495 178.7669 62 A 3.9772 7.8904 120.5309 55.5673 18.2950 179.2083 63 H 4.2954 8.4157 116.8315 59.1983 29.9459 177.5612 64 G 3.6916 8.5146 108.0654 47.7307 0.0000 175.1878 65 K 3.8744 8.0740 122.2790 59.3901 31.9080 178.9048 66 K 4.0455 7.5966 117.2237 59.4167 32.4151 179.2731 67 V 3.8404 8.1166 118.8135 66.1796 31.0746 178.1781 68 L 4.5086 8.1841 118.5368 58.0751 41.4530 179.6543 69 T 4.2084 8.1240 115.8384 66.6332 68.3954 176.6058 70 S 4.1070 8.2262 114.8324 61.4020 62.4307 176.2031 71 F 4.3223 8.2165 120.0677 60.4528 38.5760 177.8900 72 G 3.0992 7.8944 105.0493 47.5303 0.0000 175.6473 73 D 4.3185 7.8953 120.5102 56.8868 40.6562 178.5282 74 A 3.9992 7.6008 120.6146 55.1874 18.5214 179.4849 75 V 3.2986 7.2664 115.5656 65.9233 31.4630 178.0257 76 K 4.1092 7.7465 117.4533 57.7034 33.3909 177.2328 77 N 5.0188 7.6757 115.6513 51.9242 38.5915 175.8075 78 L 4.0222 7.6700 117.2809 56.8984 42.2381 178.3329 79 D 4.8956 7.9334 116.4138 54.4945 42.3185 176.6410 80 N 4.9965 7.7253 117.6366 53.2982 40.0239 176.7457 81 I 3.8278 7.8953 122.0442 64.2439 37.3713 176.9213 82 K 3.9137 8.1886 119.9385 59.6704 31.7655 177.9454 83 N 4.2473 8.1355 116.3686 56.9593 38.6567 177.0146 84 T 3.7901 7.4018 115.7616 66.0544 68.7953 175.7723 85 F 4.5705 7.7603 116.5694 57.0290 39.3923 177.4022 86 A 3.9776 7.7735 122.2304 55.5629 18.2821 179.6379 87 Q 3.9227 7.9754 117.1184 58.9888 29.1450 178.0240 88 L 4.1210 7.7613 119.8815 57.4070 41.7698 179.0440 89 S 4.1650 8.3823 113.6528 61.5190 62.3636 176.1479 90 E 3.9690 7.9015 121.2303 59.0277 29.0530 179.0340 91 L 3.8654 7.7533 119.9224 58.6675 42.2083 178.9003 92 H 4.1851 8.4061 116.1765 58.9952 28.1171 177.5801 93 C 3.9572 8.5057 120.2580 62.1311 27.8442 175.9219 94 D 4.2473 7.8399 119.5453 56.7394 40.9332 177.8255 95 K 4.1577 7.9137 118.1891 58.2488 32.8363 177.2625 96 L 4.2767 7.9638 116.9182 55.0918 42.3212 176.2696 97 H 4.3533 7.8683 113.0466 56.1992 25.6663 174.9205 98 V 4.0043 7.9231 118.3828 61.8057 32.7029 174.8114 99 D 4.3042 8.4029 126.1924 53.0629 42.1099 175.1358 100 P 3.3794 0.0000 0.0000 65.2547 31.2641 178.2214 101 E 4.0096 8.2968 117.7403 58.5514 29.3904 177.8832 102 N 4.5867 8.3559 116.3478 55.2327 38.5725 177.2283 103 F 4.5736 7.6031 119.6508 60.5763 39.0570 177.5172 104 R 4.0324 8.0420 117.9919 59.3486 30.0358 178.3808 105 L 4.0148 7.8452 118.4764 57.5919 41.6492 179.2920 106 L 4.1927 7.9891 120.6101 58.2155 42.1445 179.3201 107 G 3.7614 8.1598 105.6118 47.8099 0.0000 175.4773 108 D 4.4861 8.2189 121.0459 57.2756 40.8516 178.8599 109 I 3.7399 7.7620 119.8931 64.1667 37.1213 177.9756 110 L 3.8227 7.7746 120.8735 58.4377 41.7746 179.0847 111 I 3.6800 7.6763 119.3734 64.5804 36.9848 178.5582 112 I 3.6882 7.5462 120.7288 64.1997 36.8539 178.7536 113 V 3.4968 7.6406 119.1320 65.9485 31.4114 178.2296 114 L 3.7710 8.2228 118.7259 57.2492 41.3982 179.3794 115 A 3.4550 7.6299 121.0996 54.8909 18.1390 179.4926 116 A 3.9686 7.9053 117.7100 54.7461 18.4354 178.6681 117 H 4.1420 7.4642 113.1380 56.7361 29.6235 176.5332 118 F 4.7509 7.9492 117.5972 56.3102 40.1780 176.8800 119 A 3.5860 8.3912 122.1725 52.7657 17.9755 180.4278 120 K 4.1170 8.8470 116.3073 60.8223 32.0049 177.4569 121 E 4.1146 8.2502 118.9793 57.9880 29.7390 176.9402 122 F 4.6547 8.0473 121.8426 57.4954 37.9580 175.4962 123 T 4.3061 7.6744 117.3134 59.7959 71.4754 173.4779 124 P 4.3128 0.0000 0.0000 65.8773 30.8351 178.6622 125 D 4.3956 7.9664 117.2266 56.9414 40.9205 178.2496 126 C 4.0996 7.7836 119.0008 62.4147 31.5705 174.9413 127 Q 3.2622 7.7876 121.3428 59.2508 28.5601 178.8154 128 A 4.0015 7.8904 121.0116 55.3002 18.4046 179.5224 129 A 4.0306 7.7734 118.7101 55.1636 18.5279 179.9887 130 W 3.9406 8.2184 117.0629 59.8550 29.1803 178.7560 131 Q 4.1617 8.7607 118.5734 58.9553 28.1791 178.9398 132 K 3.9214 8.1075 120.4070 59.3025 32.1561 178.4731 133 L 4.2204 8.1275 120.6959 58.5046 42.0332 179.2674 134 V 3.9410 8.0317 117.9771 65.8787 31.4434 178.0681 135 R 3.9315 7.9874 118.2268 59.6130 30.0126 179.0092 136 V 3.6615 8.3254 112.6333 64.0777 31.3427 178.8900 137 V 3.1604 8.1473 118.3448 65.6666 31.2051 177.8911 138 A 3.8712 8.3282 120.9541 55.4719 18.3049 179.1467 139 H 4.1508 8.4414 116.5258 59.3377 29.7295 177.4348 140 A 4.0494 7.7164 121.7230 54.9943 18.2376 179.2962 141 L 3.9227 7.2998 116.6857 57.1469 41.9277 178.5990 142 A 4.8452 7.8327 119.5202 53.2066 18.6385 179.1656 143 R 3.6602 7.3648 116.7860 59.0598 30.4609 177.3427 144 K 4.3212 8.4524 116.1042 57.0351 31.7599 176.7797 145 Y 4.6095 7.9515 116.9887 58.4391 37.8552 175.5981 146 H 4.6518 7.8754 123.1350 56.0776 29.2611 173.8243 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 V 8.04 3.91 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 0.63 0.00 0.00 -0.07 0.00 0.00 2 H 8.19 4.48 0.00 3.31 3.22 0.00 5.49 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 W 8.41 4.86 0.00 3.25 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 4 S 9.09 4.47 0.00 4.25 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 5 A 8.50 4.13 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 6 E 8.15 4.01 0.00 2.19 2.35 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 2.38 2.35 0.00 7 E 7.93 3.95 0.00 2.42 2.28 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 2.42 2.43 0.00 8 K 7.78 3.57 0.00 1.86 1.71 0.00 1.58 0.00 0.00 1.39 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.15 1.63 7.81 9 Q 7.70 3.95 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 10 L 8.01 4.05 0.00 1.91 1.76 0.97 0.63 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 11 I 7.86 3.53 1.35 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.14 0.10 0.00 0.00 12 T 7.89 4.12 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 1.25 0.00 0.00 13 G 8.21 3.68 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 0.00 0.00 0.00 14 L 7.64 3.86 0.00 2.21 1.99 0.24 -0.11 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 15 W 8.74 4.68 0.00 3.73 3.24 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 16 G 7.92 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 0.00 0.00 0.00 17 K 7.90 4.40 0.00 1.87 2.32 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.58 1.54 7.81 18 V 6.84 3.60 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 0.38 0.00 0.00 1.03 0.00 0.00 19 N 8.31 4.47 0.00 2.67 2.58 0.00 0.00 7.22 7.71 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 20 V 8.06 3.53 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 0.37 0.00 0.00 1.01 0.00 0.00 21 A 7.85 3.95 1.29 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 0.00 0.00 22 D 8.40 4.30 0.00 2.62 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 23 C 8.19 4.02 0.00 2.94 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 24 G 8.39 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 25 A 8.08 3.99 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 26 E 8.26 3.80 0.00 2.27 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 2.26 2.29 0.00 27 A 8.37 3.95 1.29 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 0.00 0.00 28 L 8.12 3.86 0.00 1.80 1.68 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.87 3.94 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 30 R 8.08 3.81 0.00 1.94 1.92 0.00 3.09 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 31 L 7.95 3.98 0.00 1.84 1.83 1.09 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.87 4.03 0.00 1.69 1.64 0.70 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.08 3.96 1.77 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 1.36 0.61 0.84 0.00 0.00 34 V 7.61 3.59 1.55 0.00 0.00 0.00 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 0.73 0.00 0.00 35 Y 6.95 4.23 0.00 2.76 1.43 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 0.00 36 P 0.00 4.51 0.00 2.34 2.33 0.00 3.88 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.91 0.00 37 W 7.61 4.48 0.00 3.66 3.63 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 38 T 7.34 4.38 4.51 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 1.07 0.00 0.00 39 Q 8.03 4.26 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 40 R 7.57 3.83 0.00 1.64 1.66 0.00 3.13 0.00 0.00 2.96 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.45 0.00 41 F 7.85 4.18 0.00 2.94 2.40 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 42 F 7.73 4.55 0.00 2.79 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 0.00 0.00 0.00 43 S 8.09 4.21 0.00 4.01 4.10 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 44 S 8.04 4.25 0.00 4.13 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 45 F 8.34 4.77 0.00 3.23 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 46 G 7.65 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 47 N 9.12 4.63 0.00 2.71 2.79 0.00 0.00 6.61 7.78 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 48 L 8.12 4.96 0.00 1.65 1.61 1.03 1.10 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 49 S 7.93 4.36 0.00 4.08 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 0.00 50 S 7.58 4.71 0.00 4.00 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 51 P 0.00 3.99 0.00 2.26 2.32 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 52 T 7.84 3.85 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 1.20 0.00 0.00 53 A 9.07 4.10 1.37 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 0.00 0.00 0.00 54 I 8.46 3.88 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.05 0.89 0.00 0.00 55 L 8.57 4.16 0.00 1.79 1.72 0.89 1.07 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 56 G 7.30 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 57 N 7.81 4.49 0.00 3.10 2.84 0.00 0.00 7.22 7.59 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 58 P 0.00 4.34 0.00 2.15 2.04 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.28 0.00 59 M 7.75 3.92 0.00 0.84 1.62 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.30 0.00 60 V 7.60 3.77 2.28 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 1.15 0.00 0.00 1.13 0.00 0.00 61 R 7.79 3.87 0.00 1.81 1.94 0.00 3.31 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 62 A 7.89 3.98 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 63 H 8.42 4.30 0.00 3.44 3.58 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.51 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 65 K 8.07 3.87 0.00 1.99 2.02 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.51 7.81 66 K 7.60 4.05 0.00 1.93 1.90 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.49 7.81 67 V 8.12 3.84 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 1.29 0.00 0.00 1.04 0.00 0.00 68 L 8.18 4.51 0.00 1.93 2.03 1.04 1.10 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 69 T 8.12 4.21 4.50 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 1.30 0.00 0.00 70 S 8.23 4.11 0.00 4.14 3.96 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 0.00 0.00 0.00 71 F 8.22 4.32 0.00 3.33 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 72 G 7.89 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 0.00 0.00 0.00 73 D 7.90 4.32 0.00 2.62 2.53 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 0.00 0.00 0.00 0.00 74 A 7.60 4.00 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 75 V 7.27 3.30 1.50 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 0.59 0.00 0.00 0.47 0.00 0.00 76 K 7.75 4.11 0.00 1.72 1.81 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.72 1.64 7.81 77 N 7.68 5.02 0.00 2.76 2.69 0.00 0.00 6.93 8.04 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 78 L 7.67 4.02 0.00 1.19 1.00 0.08 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.93 4.90 0.00 2.67 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 80 N 7.73 5.00 0.00 2.84 2.72 0.00 0.00 7.02 7.32 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 81 I 7.90 3.83 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 1.09 0.00 0.00 82 K 8.19 3.91 0.00 1.85 1.79 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.56 7.81 83 N 8.14 4.25 0.00 2.92 2.86 0.00 0.00 6.91 7.54 0.00 0.00 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 T 7.40 3.79 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 0.39 0.00 0.00 85 F 7.76 4.57 0.00 2.94 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 86 A 7.77 3.98 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 87 Q 7.98 3.92 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 88 L 7.76 4.12 0.00 2.04 1.79 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.38 4.17 0.00 3.98 3.93 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 90 E 7.90 3.97 0.00 2.17 1.94 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 2.28 2.44 0.00 91 L 7.75 3.87 0.00 1.76 1.78 0.88 0.85 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 92 H 8.41 4.19 0.00 3.44 3.72 0.00 5.86 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.51 3.96 0.00 2.66 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 0.00 0.00 0.00 94 D 7.84 4.25 0.00 2.86 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 95 K 7.91 4.16 0.00 1.62 1.89 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.49 7.81 96 L 7.96 4.28 0.00 1.84 1.71 0.90 1.28 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 97 H 7.87 4.35 0.00 3.49 3.53 0.00 5.76 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.92 4.00 2.11 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 0.41 0.00 0.00 0.40 0.00 0.00 99 D 8.40 4.30 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.38 0.00 1.98 2.09 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.85 0.00 101 E 8.30 4.01 0.00 2.00 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 2.25 2.36 0.00 102 N 8.36 4.59 0.00 2.73 2.90 0.00 0.00 6.84 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 0.00 103 F 7.60 4.57 0.00 3.18 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 0.00 104 R 8.04 4.03 0.00 1.91 2.13 0.00 3.57 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 105 L 7.85 4.01 0.00 1.80 1.38 0.47 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.99 4.19 0.00 1.85 1.84 1.04 1.32 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 0.00 107 G 8.16 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.22 4.49 0.00 3.03 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 0.00 109 I 7.76 3.74 2.08 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.02 0.93 0.00 0.00 110 L 7.77 3.82 0.00 1.65 1.74 0.75 0.04 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 0.00 111 I 7.68 3.68 2.13 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.16 1.24 0.00 0.00 112 I 7.55 3.69 2.00 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 1.44 0.74 0.89 0.00 0.00 113 V 7.64 3.50 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 0.85 0.00 0.00 0.94 0.00 0.00 114 L 8.22 3.77 0.00 1.15 1.17 0.06 0.83 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 0.00 115 A 7.63 3.46 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 0.00 116 A 7.91 3.97 1.21 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 0.00 117 H 7.46 4.14 0.00 2.48 2.62 0.00 5.63 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 7.95 4.75 0.00 3.18 3.06 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 0.00 0.00 0.00 119 A 8.39 3.59 1.18 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 0.00 0.00 120 K 8.85 4.12 0.00 1.80 1.94 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.47 7.81 121 E 8.25 4.11 0.00 2.07 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 0.00 2.31 2.28 0.00 122 F 8.05 4.65 0.00 2.99 3.12 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 0.00 123 T 7.67 4.31 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 1.27 0.00 0.00 124 P 0.00 4.31 0.00 2.16 2.14 0.00 3.57 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 2.11 2.18 0.00 125 D 7.97 4.40 0.00 2.67 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 0.00 126 C 7.78 4.10 0.00 2.98 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 0.00 127 Q 7.79 3.26 0.00 1.71 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 128 A 7.89 4.00 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 0.00 129 A 7.77 4.03 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 0.00 130 W 8.22 3.94 0.00 3.88 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 4.16 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.72 2.59 0.00 132 K 8.11 3.92 0.00 1.80 2.04 0.00 0.66 0.00 0.00 0.61 0.00 0.00 2.59 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.17 1.17 7.81 133 L 8.13 4.22 0.00 1.71 1.85 0.85 0.30 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 0.00 134 V 8.03 3.94 2.29 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 0.99 0.00 0.00 1.12 0.00 0.00 135 R 7.99 3.93 0.00 2.28 1.90 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 136 V 8.33 3.66 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 0.63 0.00 0.00 nan 0.00 0.00 137 V 8.15 3.16 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 -0.15 0.00 0.00 0.77 0.00 0.00 138 A 8.33 3.87 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 0.00 139 H 8.44 4.15 0.00 3.36 3.49 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.72 4.05 1.34 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 0.00 0.00 0.00 141 L 7.30 3.92 0.00 1.06 1.08 -0.06 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.83 4.85 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 7.36 3.66 0.00 1.80 2.11 0.00 3.23 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 144 K 8.45 4.32 0.00 1.80 1.67 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.40 7.81 145 Y 7.95 4.61 0.00 3.45 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 0.00 146 H 7.88 4.65 0.00 3.08 3.15 0.00 5.70 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