NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3383 8.3049 120.3448 54.9814 33.0928 176.8942 2 L 4.3694 8.5513 114.6470 51.5263 44.3983 175.4385 3 T 4.0514 9.3335 113.1928 61.4959 71.4827 174.7471 4 A 3.9757 8.5948 124.0647 55.7893 18.2952 179.8562 5 E 3.9235 8.0832 116.9570 59.1872 29.7371 178.5140 6 E 3.9258 8.2771 118.8033 59.3964 29.4475 179.4046 7 K 3.8357 8.5276 118.5515 59.3912 32.1105 179.2048 8 A 3.9658 7.9478 120.7404 55.0463 18.3407 179.5372 9 A 3.9822 8.0910 119.2736 55.3378 18.4691 180.1010 10 V 3.5883 7.9580 116.8847 66.3312 31.3392 178.2134 11 T 3.9468 8.1989 115.4854 66.7277 68.1393 176.0748 12 A 4.1113 7.8996 121.0046 55.4812 18.7117 179.2236 13 F 4.3001 8.4462 118.8900 61.1961 39.4978 177.1059 14 W 4.2771 9.2365 128.6644 60.4292 30.1852 177.9305 15 G 3.6934 7.7241 104.8888 47.5775 0.0000 174.6621 16 K 4.0019 7.4907 118.8710 57.8616 32.4886 177.4924 17 V 3.4253 6.7755 119.6106 62.2354 30.9902 175.5838 18 K 4.0452 8.5097 127.4983 56.1331 32.0289 178.4440 19 V 3.6459 8.4339 118.6109 63.4942 31.6080 176.6918 20 D 4.8601 7.9821 116.2077 52.8947 40.2952 176.1107 21 E 4.3535 7.8816 119.3257 58.3727 30.7121 177.6983 22 V 3.6364 7.6863 117.7790 66.0018 31.4795 177.9669 23 G 3.7676 8.1265 104.9387 47.9066 0.0000 175.7430 24 G 3.6665 8.0384 107.9776 47.2301 0.0000 175.3476 25 E 3.8699 8.3370 121.3625 58.9678 29.6555 178.6380 26 A 3.9581 8.2810 121.2241 55.1529 18.5921 179.3306 27 L 3.9921 8.3911 119.3287 58.1755 42.1631 179.3082 28 G 3.6056 8.2111 105.6992 48.0340 0.0000 175.8236 29 R 3.8900 8.3678 121.3738 58.5516 29.9659 178.6932 30 L 4.0990 8.2585 120.5674 58.5562 42.0107 179.2812 31 L 4.0820 7.7263 119.6490 56.9033 41.2406 179.7870 32 V 3.4962 7.4786 117.6903 65.9904 31.6491 178.0580 33 V 3.5845 7.7426 117.0097 64.2733 32.7435 175.5251 34 Y 4.1425 7.4010 116.5899 54.4187 37.8710 174.1456 35 P 4.7082 0.0000 0.0000 64.1051 31.8204 177.6705 36 W 4.4234 8.2644 115.6072 59.5012 27.7631 178.0545 37 T 4.3409 7.5320 110.5383 64.4081 68.2198 176.3511 38 Q 4.1716 8.1230 121.3526 58.8844 28.3998 178.5403 39 R 3.8355 7.7754 119.1563 59.3296 30.0517 177.8606 40 F 4.2481 7.7560 114.9402 58.2807 39.4919 175.3922 41 F 4.6177 8.1183 118.4538 56.5938 39.8749 177.0247 42 E 4.0654 8.5462 122.2140 59.5328 29.2499 178.6841 43 S 4.5021 8.1809 111.1740 59.4023 63.5389 174.9470 44 F 4.5162 8.4191 119.6460 57.8179 39.5404 177.2029 45 G 3.8288 7.6046 107.5693 44.6485 0.0000 173.2119 46 D 4.4632 8.6200 122.9763 54.5875 41.1054 176.4381 47 L 4.8030 8.4394 126.3269 54.5844 42.3808 177.8636 48 S 4.3811 8.5813 115.5064 60.0800 63.6734 174.4202 49 T 4.7244 7.4862 110.5515 58.7645 73.0941 174.2387 50 A 3.9722 8.4784 123.0929 55.6235 18.3681 179.8217 51 D 4.2636 8.0468 116.5515 57.3159 40.7490 178.5448 52 A 3.9891 7.9393 120.4218 55.1387 18.7844 179.5711 53 V 3.6792 7.8548 116.5044 66.6721 31.4784 178.3083 54 M 4.1355 8.0349 116.8635 57.6431 31.8274 177.5231 55 N 4.8888 7.8591 113.9122 51.7159 39.3881 174.3871 56 N 4.5026 7.6217 121.6480 52.4408 39.4640 174.0166 57 P 4.3024 0.0000 0.0000 65.8961 31.3255 178.6514 58 K 3.9128 8.2172 118.4275 58.8453 31.6976 179.5414 59 V 3.7277 7.8868 118.2168 65.9546 31.6541 177.7025 60 K 3.8876 7.9805 118.0266 59.6632 31.8525 178.9794 61 A 3.9960 8.4097 120.9114 55.6026 18.3699 179.1858 62 H 4.3081 8.8220 117.3123 59.2953 29.8768 177.5649 63 G 3.7426 8.9902 108.2033 47.7373 0.0000 175.4105 64 K 3.9673 8.2106 121.9191 59.2636 32.2079 178.9555 65 K 3.9807 7.7825 118.8388 59.4410 31.9322 179.4646 66 V 3.7016 7.8514 118.4159 65.9338 31.5204 177.8140 67 L 4.3054 8.4460 120.4125 58.5777 42.0015 178.5936 68 D 4.6773 8.6101 119.1313 57.5079 40.6947 178.9427 69 S 4.0852 8.3280 113.7295 61.2287 62.3362 176.1094 70 F 4.1509 8.6625 120.6257 60.8534 38.5021 177.5627 71 S 4.2717 8.7589 113.7290 61.8186 62.9771 176.1912 72 N 4.5440 8.5220 119.5562 56.8464 38.7183 177.1108 73 G 3.7965 8.1105 106.9800 48.1818 0.0000 175.2307 74 M 3.9657 8.0812 119.9614 57.4859 31.9561 177.8603 75 K 4.3888 7.8089 116.3002 56.4191 33.3246 175.9537 76 H 4.9906 8.3790 117.8777 54.9871 29.8617 175.6261 77 L 3.9432 8.1842 120.8476 57.9291 41.7517 178.4566 78 D 4.6311 7.9441 115.4094 55.1614 41.4814 176.3064 79 D 4.7630 8.1479 119.2068 51.8187 41.5528 175.3588 80 L 4.2617 8.0279 123.4470 57.0572 42.0034 178.4114 81 K 3.9712 8.1830 117.5158 59.9864 32.1878 178.7753 82 G 3.6948 8.1503 104.8715 47.7902 0.0000 175.6290 83 T 3.6873 7.3027 115.8920 65.9718 68.6772 175.7203 84 F 4.5352 7.9767 117.4896 57.6879 39.3126 177.5995 85 A 3.9410 7.7221 121.8785 55.0826 18.0580 180.0159 86 A 3.9124 7.9076 116.9618 55.4370 18.4757 179.8155 87 L 4.0218 7.8484 116.6179 57.8792 41.7407 179.5074 88 S 4.1941 8.8384 115.1809 60.6816 62.4359 176.0926 89 E 4.0315 8.1860 120.5123 59.1111 29.4570 178.5628 90 L 3.8698 7.8881 121.3421 58.6200 42.1243 178.9352 91 H 4.2527 8.5758 115.9455 58.4484 28.2116 176.9357 92 C 4.1247 7.8649 119.4708 61.1641 28.3213 175.8888 93 D 4.3250 7.8208 119.5670 56.4961 40.9448 177.8893 94 K 4.2790 7.9225 116.7495 57.6570 33.1761 177.3322 95 L 4.3904 7.6814 116.4008 54.5081 42.6117 176.1299 96 H 4.3387 7.5274 114.0867 56.6609 26.6641 175.3491 97 V 3.6572 7.9725 118.6503 62.0702 32.1918 175.0237 98 D 4.2617 8.6987 127.2557 53.4376 41.9307 175.1389 99 P 3.1008 0.0000 0.0000 64.9593 31.1955 178.0243 100 E 3.8897 8.5261 120.0753 59.5199 29.3455 178.3134 101 N 4.4773 8.1821 116.1165 55.4902 38.5667 177.4050 102 F 4.4985 7.3564 119.4086 60.5994 38.9486 177.6675 103 K 4.0742 8.1160 117.5917 59.4266 31.8694 179.2589 104 L 3.9077 7.8945 119.2601 57.7030 41.4605 179.3692 105 L 4.1553 8.3254 120.5713 57.9978 42.1659 178.9920 106 G 3.8537 8.2540 105.7901 48.2674 0.0000 175.3972 107 N 4.5006 8.5113 119.0851 55.7161 38.5145 177.7283 108 V 3.6361 8.3088 120.2764 65.9530 31.5996 177.6653 109 L 3.8765 8.2829 120.4439 58.2999 41.8438 179.2260 110 V 3.6018 7.7494 117.7555 65.9089 31.4042 178.0620 111 V 3.6433 8.0120 118.1319 66.0939 31.3457 178.2011 112 V 3.5289 8.2028 118.3202 65.9220 31.2703 177.9313 113 L 3.9294 8.1727 118.9664 57.5889 41.2129 179.4415 114 A 4.0385 7.6762 120.5892 55.2019 18.1793 179.6348 115 R 3.8113 7.9704 116.2072 59.6962 30.2232 178.0966 116 N 4.3068 8.0563 114.9656 54.8874 39.0598 176.4483 117 F 4.6637 8.5850 117.6029 55.6083 40.8044 177.0371 118 G 3.8874 9.1143 108.6630 46.2389 0.0000 177.7540 119 K 4.0691 8.8770 123.1078 59.0757 32.5146 177.7956 120 E 4.1388 8.1085 119.6665 58.4859 29.9357 176.9946 121 F 4.4064 8.1224 122.9645 56.7945 37.8957 175.4647 122 T 4.0759 7.3102 115.6498 60.1366 71.1170 173.3122 123 P 4.0725 0.0000 0.0000 65.9985 31.3242 179.1088 124 V 3.4841 7.5239 116.1461 65.9130 31.5880 177.7269 125 L 3.8884 7.7380 120.1609 57.9528 41.8185 178.5814 126 Q 3.5007 7.9079 119.8119 58.8271 28.9830 177.9762 127 A 3.9777 8.1409 122.1077 55.3214 18.3613 179.3095 128 D 4.2046 7.9451 117.0598 57.6978 40.8665 179.1572 129 F 4.0921 8.2567 118.0620 60.5332 38.8689 177.7478 130 Q 4.1131 8.6753 118.3089 58.8591 28.4102 178.9637 131 K 3.9597 7.9569 119.0940 59.3360 32.0399 179.4163 132 V 3.5330 7.7073 118.3704 66.3474 31.4230 178.6078 133 V 3.8329 8.3645 112.1987 64.2169 31.2580 178.4828 134 A 4.1041 8.2768 120.9055 54.9772 18.1957 179.7155 135 G 3.5888 8.2727 104.4361 47.9871 0.0000 175.9401 136 V 2.8952 7.8282 120.8380 65.2456 31.5136 177.7095 137 A 3.8759 8.0061 120.6072 55.3666 18.0206 179.0518 138 N 4.2979 8.2133 114.0568 56.7872 39.1340 176.5976 139 A 4.0919 7.9945 122.1658 55.2194 18.3332 179.7026 140 L 3.6695 7.9841 117.6476 57.2639 41.4762 178.7710 141 A 4.7419 8.0731 119.0652 53.2127 18.6787 178.4071 142 H 4.1277 7.9677 117.7642 59.4466 29.6528 176.9536 143 R 3.9460 7.5015 117.9399 58.1610 29.6262 177.5173 144 Y 4.5866 8.0704 116.6100 58.9704 37.9535 175.2071 145 H 4.6382 8.0731 122.5972 55.8406 29.2709 173.7170 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 4.34 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 2 L 8.55 4.37 0.00 1.67 1.52 0.84 0.37 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 3 T 9.33 4.05 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 1.19 0.00 0.00 4 A 8.59 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 5 E 8.08 3.92 0.00 2.04 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 2.37 2.39 0.00 6 E 8.28 3.93 0.00 2.23 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 2.37 2.32 0.00 7 K 8.53 3.84 0.00 1.89 1.83 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.62 7.81 8 A 7.95 3.97 1.39 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 0.00 0.00 0.00 9 A 8.09 3.98 1.38 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 0.00 0.00 0.00 10 V 7.96 3.59 2.01 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 0.72 0.00 0.00 0.23 0.00 0.00 11 T 8.20 3.95 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 1.28 0.00 0.00 12 A 7.90 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.45 4.30 0.00 3.26 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 14 W 9.24 4.28 0.00 3.78 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 15 G 7.72 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 16 K 7.49 4.00 0.00 1.26 1.86 0.00 1.79 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.19 7.81 17 V 6.78 3.43 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 0.00 0.00 0.05 0.00 0.00 -0.17 0.00 0.00 18 K 8.51 4.05 0.00 1.73 1.66 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.31 7.81 19 V 8.43 3.65 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 0.67 0.00 0.00 0.91 0.00 0.00 20 D 7.98 4.86 0.00 2.73 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 E 7.88 4.35 0.00 1.97 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 2.16 2.35 0.00 22 V 7.69 3.64 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 0.98 0.00 0.00 0.87 0.00 0.00 23 G 8.13 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 24 G 8.04 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 25 E 8.34 3.87 0.00 2.15 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 0.00 2.27 2.29 0.00 26 A 8.28 3.96 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 27 L 8.39 3.99 0.00 1.93 1.66 0.87 0.71 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 28 G 8.21 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 29 R 8.37 3.89 0.00 2.03 1.97 0.00 3.13 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 30 L 8.26 4.10 0.00 1.89 1.88 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.73 4.08 0.00 1.70 1.65 0.66 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.48 3.50 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 0.72 0.00 0.00 0.93 0.00 0.00 33 V 7.74 3.58 1.49 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 0.04 0.00 0.00 0.74 0.00 0.00 34 Y 7.40 4.14 0.00 2.45 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 35 P 0.00 4.71 0.00 2.24 2.11 0.00 3.96 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 36 W 8.26 4.42 0.00 3.59 3.53 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 37 T 7.53 4.34 4.41 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 0.99 0.00 0.00 38 Q 8.12 4.17 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 39 R 7.78 3.84 0.00 1.71 1.61 0.00 3.11 0.00 0.00 2.91 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.48 0.00 40 F 7.76 4.25 0.00 2.76 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 0.00 0.00 0.00 0.00 41 F 8.12 4.62 0.00 2.88 2.32 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 42 E 8.55 4.07 0.00 1.96 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 0.00 2.32 2.39 0.00 43 S 8.18 4.50 0.00 4.13 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 0.00 44 F 8.42 4.52 0.00 3.27 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 45 G 7.60 3.83 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 0.00 0.00 0.00 46 D 8.62 4.46 0.00 2.65 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 47 L 8.44 4.80 0.00 1.68 1.64 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.58 4.38 0.00 3.99 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 49 T 7.49 4.72 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 1.21 0.00 0.00 50 A 8.48 3.97 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 51 D 8.05 4.26 0.00 2.69 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 52 A 7.94 3.99 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 53 V 7.85 3.68 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 1.01 0.00 0.00 0.98 0.00 0.00 54 M 8.03 4.14 0.00 2.01 2.10 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 2.89 0.00 55 N 7.86 4.89 0.00 2.79 2.83 0.00 0.00 6.97 7.61 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 56 N 7.62 4.50 0.00 3.05 2.84 0.00 0.00 6.93 7.17 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 57 P 0.00 4.30 0.00 2.26 2.27 0.00 3.73 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 58 K 8.22 3.91 0.00 1.69 0.79 0.00 1.62 0.00 0.00 0.97 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.13 1.25 7.81 59 V 7.89 3.73 2.27 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 1.06 0.00 0.00 1.03 0.00 0.00 60 K 7.98 3.89 0.00 1.99 1.86 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.52 7.81 61 A 8.41 4.00 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 62 H 8.82 4.31 0.00 3.71 3.61 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 63 G 8.99 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 64 K 8.21 3.97 0.00 1.87 2.01 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.71 7.81 65 K 7.78 3.98 0.00 1.98 1.86 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.49 7.81 66 V 7.85 3.70 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 1.33 0.00 0.00 1.10 0.00 0.00 67 L 8.45 4.31 0.00 1.99 1.90 1.06 1.26 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 68 D 8.61 4.68 0.00 2.92 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 69 S 8.33 4.09 0.00 4.05 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.66 4.15 0.00 3.49 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 71 S 8.76 4.27 0.00 4.23 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 0.00 72 N 8.52 4.54 0.00 2.94 2.82 0.00 0.00 7.11 7.46 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 73 G 8.11 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 0.00 0.00 0.00 74 M 8.08 3.97 0.00 1.69 2.11 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 2.42 0.00 75 K 7.81 4.39 0.00 1.83 1.68 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.64 7.81 76 H 8.38 4.99 0.00 3.06 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.18 3.94 0.00 1.59 1.70 0.81 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 78 D 7.94 4.63 0.00 2.65 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 79 D 8.15 4.76 0.00 2.67 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 80 L 8.03 4.26 0.00 1.75 1.77 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.18 3.97 0.00 1.68 1.85 0.00 1.41 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.36 7.81 82 G 8.15 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 T 7.30 3.69 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 0.70 0.00 0.00 84 F 7.98 4.54 0.00 3.06 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 85 A 7.72 3.94 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 86 A 7.91 3.91 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 87 L 7.85 4.02 0.00 1.93 1.77 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.84 4.19 0.00 3.90 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 89 E 8.19 4.03 0.00 2.31 2.14 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 2.52 2.30 0.00 90 L 7.89 3.87 0.00 1.86 1.88 0.90 0.90 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 91 H 8.58 4.25 0.00 3.33 3.60 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 7.86 4.12 0.00 2.69 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 0.00 0.00 0.00 93 D 7.82 4.32 0.00 2.78 2.68 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 94 K 7.92 4.28 0.00 1.93 1.83 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.40 7.81 95 L 7.68 4.39 0.00 1.83 1.74 0.72 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 96 H 7.53 4.34 0.00 3.46 3.51 0.00 5.65 0.00 0.00 0.00 0.00 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.97 3.66 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 0.30 0.00 0.00 0.35 0.00 0.00 98 D 8.70 4.26 0.00 2.67 2.46 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 99 P 0.00 3.10 0.00 2.30 2.46 0.00 3.42 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 100 E 8.53 3.89 0.00 2.04 2.01 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 2.29 2.39 0.00 101 N 8.18 4.48 0.00 2.70 2.86 0.00 0.00 6.94 8.16 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 0.00 102 F 7.36 4.50 0.00 3.17 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 0.00 103 K 8.12 4.07 0.00 2.00 1.90 0.00 1.85 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.61 7.81 104 L 7.89 3.91 0.00 1.67 1.22 0.57 0.29 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 0.00 105 L 8.33 4.16 0.00 1.88 1.84 1.02 1.18 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 0.00 106 G 8.25 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 0.00 0.00 0.00 107 N 8.51 4.50 0.00 3.05 2.96 0.00 0.00 6.69 7.23 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 0.00 108 V 8.31 3.64 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 1.14 0.00 0.00 1.22 0.00 0.00 109 L 8.28 3.88 0.00 1.62 1.69 0.84 -0.16 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 0.00 110 V 7.75 3.60 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 1.26 0.00 0.00 1.12 0.00 0.00 111 V 8.01 3.64 2.25 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 1.04 0.00 0.00 0.99 0.00 0.00 112 V 8.20 3.53 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 0.92 0.00 0.00 1.03 0.00 0.00 113 L 8.17 3.93 0.00 0.82 0.71 0.52 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.68 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.97 3.81 0.00 1.90 1.92 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 1.60 1.65 0.00 116 N 8.06 4.31 0.00 2.69 2.19 0.00 0.00 6.94 7.00 0.00 0.00 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 F 8.58 4.66 0.00 3.33 3.39 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 0.00 118 G 9.11 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 0.00 119 K 8.88 4.07 0.00 1.92 2.01 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.50 7.81 120 E 8.11 4.14 0.00 2.19 2.49 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 2.62 2.42 0.00 121 F 8.12 4.41 0.00 2.99 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 0.00 122 T 7.31 4.08 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 1.25 0.00 0.00 123 P 0.00 4.07 0.00 2.11 2.11 0.00 3.53 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 124 V 7.52 3.48 2.01 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 0.98 0.00 0.00 0.89 0.00 0.00 125 L 7.74 3.89 0.00 1.67 1.44 0.28 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 126 Q 7.91 3.50 0.00 0.95 1.84 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 2.35 2.43 0.00 127 A 8.14 3.98 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 0.00 128 D 7.95 4.20 0.00 2.74 2.45 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 0.00 129 F 8.26 4.09 0.00 3.40 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 0.00 130 Q 8.68 4.11 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.71 2.59 0.00 131 K 7.96 3.96 0.00 1.98 1.82 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.43 7.81 132 V 7.71 3.53 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 1.12 0.00 0.00 0.71 0.00 0.00 133 V 8.36 3.83 2.25 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 0.86 0.00 0.00 1.12 0.00 0.00 134 A 8.28 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 0.00 135 G 8.27 3.59 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 0.00 0.00 0.00 136 V 7.83 2.90 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 -0.25 0.00 0.00 0.79 0.00 0.00 137 A 8.01 3.88 1.48 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 0.00 0.00 138 N 8.21 4.30 0.00 2.79 3.00 0.00 0.00 7.27 8.26 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 0.00 139 A 7.99 4.09 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 0.00 140 L 7.98 3.67 0.00 1.02 0.22 0.11 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.07 4.74 1.67 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 0.00 142 H 7.97 4.13 0.00 3.32 3.35 0.00 5.79 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 0.00 143 R 7.50 3.95 0.00 1.52 1.78 0.00 3.33 0.00 0.00 3.44 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 144 Y 8.07 4.59 0.00 2.97 2.80 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 0.00 145 H 8.07 4.64 0.00 3.13 3.14 0.00 5.69 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