NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.4564 8.3044 120.3288 55.4272 34.7836 174.8659 5 S 4.2159 7.7548 113.8382 57.4666 64.6183 171.5664 6 L 4.7290 9.3901 129.8154 55.4312 43.6301 174.6584 7 Y 5.1245 9.3955 123.0848 56.2455 42.9298 174.1040 8 R 5.2080 8.9076 120.9681 54.5393 33.8584 173.7422 9 L 5.2551 9.2743 127.6495 53.3158 45.3564 174.8419 10 I 5.1734 9.2007 127.1369 59.7140 40.3178 174.2359 11 Y 5.4531 8.5650 123.7922 55.6419 41.9671 173.7904 12 S 5.3639 9.2074 114.6169 56.9982 67.1186 172.5760 13 S 5.0840 8.8114 113.5186 57.7236 67.1868 173.0162 14 Q 4.7222 8.9394 120.0083 54.1432 29.5994 175.9818 15 G 4.3384 8.9006 112.9538 45.6160 0.0000 172.9287 16 I 4.0299 8.5505 116.9137 60.0406 38.1160 174.3009 17 P 4.3086 0.0000 0.0000 66.0693 31.4082 177.0037 18 N 4.9134 7.7088 115.6136 51.2459 37.8919 175.2132 19 L 4.3460 7.5455 117.9412 54.6570 43.3879 177.1993 20 Q 4.7366 8.6248 120.6158 53.3638 32.4080 175.4458 21 P 4.1377 0.0000 0.0000 65.8829 31.4172 178.5198 22 Q 3.9586 8.0884 117.8685 59.2347 29.1189 177.6337 23 D 4.5388 7.8351 120.8314 56.9193 40.8832 178.9586 24 L 4.0663 7.7465 118.6924 57.2108 41.6541 179.3014 25 K 3.9328 7.9983 120.2378 59.4751 32.1895 178.6439 26 D 4.3495 8.2870 119.4575 56.0639 39.3160 178.4256 27 I 3.6861 7.5609 121.1736 64.2014 37.0964 177.7005 28 L 4.0216 7.9532 124.6118 58.3681 41.8426 179.6428 29 E 4.0470 8.3024 117.9949 60.9915 29.5944 181.1532 30 S 4.2828 8.6459 116.1489 61.6539 62.6614 176.9215 31 S 4.1288 8.2504 117.1505 61.7533 62.5037 176.5608 32 Q 4.1410 8.3395 121.2059 58.0667 28.4318 178.4560 33 R 4.1328 7.6189 116.5462 59.1287 29.9785 178.3102 34 N 4.5091 8.2638 117.1824 55.9185 38.6872 177.2417 35 N 4.3237 8.6263 118.2156 55.7332 38.6320 175.4054 36 P 4.2518 0.0000 0.0000 65.7489 31.2909 178.5229 37 A 4.0437 8.0260 118.1319 54.8502 18.4459 177.7066 38 N 4.6525 7.7887 110.7970 52.5053 38.7744 175.2402 39 G 4.0657 7.8041 105.9838 46.3831 0.0000 173.7637 40 I 4.4463 7.7055 120.0961 60.3146 38.2127 175.4469 41 T 5.4032 9.0046 112.9793 58.2453 71.9550 173.9403 42 G 4.1468 7.0795 106.5886 45.6859 0.0000 170.9389 43 L 4.8264 7.4974 120.6434 53.4567 45.8995 175.4626 44 L 5.2113 8.9623 127.9235 53.4392 45.0374 174.5434 45 C 5.4130 9.6355 124.2071 58.1036 31.2966 172.1150 46 Y 4.9144 8.7436 124.1867 55.8477 41.2560 174.1801 47 S 4.5999 8.3064 124.1446 55.6347 64.9477 173.4083 48 K 3.6498 7.4673 127.5976 53.1009 31.5382 171.4552 49 P 4.8474 0.0000 0.0000 60.6450 32.7116 174.4419 50 A 5.0921 7.9282 122.3686 50.7440 22.1880 176.3041 51 F 5.4066 8.9059 118.2730 55.8585 42.1142 175.0861 52 L 4.8827 9.4633 123.7912 53.5388 45.0879 174.7491 53 Q 5.0700 8.1798 127.6619 54.0660 32.4791 174.1828 54 V 4.8104 8.2378 125.1156 59.9883 34.0579 174.5629 55 L 5.2490 9.1340 123.7106 53.0516 45.2454 175.3127 56 E 5.1451 10.2694 121.5020 53.9180 33.9402 176.5632 57 G 4.0837 8.1222 108.8070 45.0905 0.0000 171.0524 58 E 4.4169 8.1101 119.5765 56.1051 31.3462 177.4204 59 C 3.6754 8.9180 129.1007 63.5705 31.4836 176.8067 60 E 3.9299 8.0749 118.8550 61.2545 29.3275 180.9313 61 Q 4.1685 7.9563 118.6706 58.6429 28.8499 178.4357 62 V 3.6158 8.0453 119.6497 66.3372 31.4601 177.8657 63 N 4.4253 8.3187 116.0102 56.2097 38.3939 176.9176 64 E 3.9300 8.5232 121.0640 59.7346 29.6607 179.0507 65 T 3.8534 8.4601 115.9008 66.7271 68.4663 176.0429 66 Y 3.9473 8.3202 121.6906 61.1783 38.6517 177.9469 67 H 3.8339 8.1577 115.6149 58.2289 28.9712 177.6918 68 R 4.0828 7.9221 120.8935 59.4730 29.9528 178.3063 69 I 3.5498 7.7050 119.8693 64.6528 36.9011 178.2480 70 V 3.3200 7.0809 117.5049 65.9613 31.1804 177.1836 71 Q 4.2083 7.6104 114.7647 55.2442 29.1352 175.6489 72 D 4.4111 8.0249 124.5281 54.6758 41.7998 177.5167 73 E 3.9034 8.6379 121.3493 58.2559 30.2715 176.3946 74 R 4.3366 9.5354 116.6742 58.1541 30.3247 175.4039 75 H 5.4079 7.7270 112.5090 55.1187 31.7013 171.5376 76 H 4.7205 8.9404 114.7465 54.8097 31.9726 172.8374 77 S 3.8833 8.7008 112.8862 59.0345 59.8794 171.4844 78 P 4.6871 0.0000 0.0000 62.8132 32.4732 176.2363 79 Q 4.6761 9.6105 121.0077 53.9836 31.6647 174.8798 80 I 4.0801 8.5676 125.8839 61.7058 37.2478 175.9187 81 I 4.2613 8.9609 128.0973 63.0013 38.6330 176.0841 82 E 4.7505 7.7647 120.8012 55.1381 33.1658 173.6008 83 C 5.3202 8.5007 126.2765 58.3128 34.5862 172.5322 84 M 4.5568 8.7460 121.9750 53.5131 34.4556 172.5020 85 P 4.1032 0.0000 0.0000 62.3623 32.2101 175.6929 86 I 4.5943 8.2458 115.1120 59.1860 40.2303 175.9254 87 R 4.0579 8.7477 122.5418 59.1714 30.2754 177.0535 88 R 4.4802 7.2042 110.1221 55.3145 31.5746 174.3524 89 R 4.3339 8.3656 117.9894 56.0942 30.9349 176.3539 90 N 4.6332 9.1403 116.5995 53.1894 40.6658 175.7374 91 F 4.6537 8.2163 117.7002 56.7999 39.6372 177.5484 92 E 4.0970 8.0959 121.0493 59.1226 29.6515 178.3410 93 V 3.6539 7.4286 111.6345 62.5110 32.1133 175.6588 94 W 4.9737 7.7849 120.3257 54.6047 30.0145 176.3797 95 S 4.2872 8.8855 118.9037 60.6694 62.4165 174.0048 96 M 5.0900 7.4270 116.6407 54.9450 34.8175 173.5182 97 Q 4.5709 8.6092 122.2895 53.8203 33.2556 173.9012 98 A 5.0972 8.2061 122.0950 50.2158 21.8893 175.4789 99 I 4.4855 8.5822 123.2881 59.4874 40.4508 174.6602 100 T 4.9635 8.5528 116.6232 60.2985 70.6673 174.3147 101 V 4.4677 8.9349 125.5734 61.3171 34.1474 173.6900 102 N 5.1133 8.9944 126.0550 51.3239 40.2297 174.7057 103 D 4.4930 8.7391 116.5783 56.7765 40.8499 177.1112 104 L 4.5197 7.6678 117.4780 54.4253 41.9479 176.4717 105 S 4.5208 7.6856 116.3467 57.9151 63.9424 174.3241 106 T 4.1474 8.2057 117.5878 63.4788 69.9094 175.4633 107 E 3.9442 8.9217 124.6846 59.9386 29.1206 179.5897 108 Q 3.9710 8.0786 118.7829 59.1891 29.1401 178.4960 109 V 3.6994 7.7421 118.7758 65.8930 31.7424 177.8427 110 K 4.0166 8.3493 118.4654 60.0361 31.9071 179.3927 111 T 3.9461 8.1825 115.8677 66.5558 68.0939 176.7688 112 L 4.1354 7.5901 119.7258 57.6597 41.8270 179.3355 113 V 3.8155 8.1415 118.2696 66.1229 31.4865 177.8088 114 L 4.0837 8.0298 119.9829 58.1056 41.6345 178.7658 115 K 3.8125 7.9576 118.7591 58.6269 32.0251 176.8291 116 Y 4.7450 7.3038 113.8364 57.3291 38.1759 174.6925 117 S 4.5986 7.7330 114.5123 57.2602 66.0067 175.3807 118 G 3.3353 8.5541 108.6220 47.2685 0.0000 172.8366 119 F 4.7496 7.3858 116.8554 56.4593 43.2098 174.0198 120 T 4.2341 8.6798 114.8110 63.7562 67.5460 174.7044 121 T 4.2043 7.7013 111.1362 60.5977 69.9150 173.9412 122 L 3.9933 8.2276 126.5122 54.9160 42.4760 176.9567 123 R 4.4476 8.0117 124.6732 53.0264 31.3438 173.5349 124 P 4.1673 0.0000 0.0000 65.4437 31.6368 178.9772 125 S 4.2041 8.1307 110.3503 60.3152 62.7969 174.4184 126 A 4.8061 7.9097 124.1050 51.8321 19.2275 175.9972 127 M 5.0082 7.8740 117.5838 54.4952 36.2435 175.5082 128 D 4.8111 8.6991 121.9675 51.5262 42.7971 175.7896 129 P 4.2085 0.0000 0.0000 65.9715 31.1834 178.5756 130 E 3.9445 8.1992 117.3712 59.3165 29.6408 178.6645 131 Q 3.8951 9.1565 118.4928 58.9803 28.7680 178.4383 132 C 4.1047 8.3526 118.0444 62.8317 28.2269 175.8530 133 L 4.0282 7.9897 121.6592 58.3914 41.6763 178.8279 134 N 4.2196 8.1215 116.3472 56.0032 38.3868 177.0551 135 F 4.1191 7.7577 122.0737 61.4751 39.5161 177.2638 136 L 4.0232 8.1086 118.4426 57.6304 41.1559 179.5813 137 L 3.9742 8.2319 118.6326 57.8844 41.9386 179.0288 138 D 4.5068 8.2064 118.7878 57.4031 40.9467 178.6182 139 I 3.6651 7.9743 120.4965 64.6520 37.1676 178.3542 140 A 4.6523 8.3727 121.2559 55.0786 17.9674 179.6014 141 K 4.0486 7.9093 117.8881 58.9122 32.2931 177.5078 142 I 4.2541 7.2342 109.2822 60.7201 37.8993 175.3067 143 Y 4.2641 7.8565 124.1679 58.5447 38.1428 175.3752 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 4 M 8.30 4.46 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 5 S 7.75 4.22 0.00 4.13 4.05 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 6 L 9.39 4.73 0.00 1.86 1.55 0.97 0.87 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 7 Y 9.40 5.12 0.00 3.02 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 8 R 8.91 5.21 0.00 1.89 1.73 0.00 3.14 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 9 L 9.27 5.26 0.00 1.71 1.48 0.52 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 10 I 9.20 5.17 1.88 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 1.28 0.74 0.93 0.00 0.00 11 Y 8.57 5.45 0.00 3.18 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 12 S 9.21 5.36 0.00 4.03 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 13 S 8.81 5.08 0.00 4.19 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 0.00 14 Q 8.94 4.72 0.00 1.66 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 15 G 8.90 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 0.00 0.00 0.00 0.00 16 I 8.55 4.03 1.93 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 1.43 0.68 1.05 0.00 0.00 17 P 0.00 4.31 0.00 2.21 2.28 0.00 3.78 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 2.03 2.06 0.00 18 N 7.71 4.91 0.00 2.72 2.82 0.00 0.00 6.93 7.85 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 19 L 7.55 4.35 0.00 1.37 1.27 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.62 4.74 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 21 P 0.00 4.14 0.00 2.15 2.09 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 22 Q 8.09 3.96 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 23 D 7.84 4.54 0.00 2.85 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 24 L 7.75 4.07 0.00 1.79 1.69 0.70 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.00 3.93 0.00 1.96 1.83 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.57 7.81 26 D 8.29 4.35 0.00 2.92 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.56 3.69 1.96 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.75 0.77 0.00 0.00 28 L 7.95 4.02 0.00 1.95 1.69 0.84 0.72 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 29 E 8.30 4.05 0.00 2.02 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 2.24 2.22 0.00 30 S 8.65 4.28 0.00 3.97 3.90 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 31 S 8.25 4.13 0.00 4.02 4.14 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 32 Q 8.34 4.14 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.03 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 33 R 7.62 4.13 0.00 1.94 2.05 0.00 3.05 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.66 0.00 34 N 8.26 4.51 0.00 2.77 2.89 0.00 0.00 7.03 6.24 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 35 N 8.63 4.32 0.00 2.91 3.12 0.00 0.00 7.03 7.91 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 36 P 0.00 4.25 0.00 2.17 2.14 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 37 A 8.03 4.04 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 38 N 7.79 4.65 0.00 2.86 2.87 0.00 0.00 7.00 7.53 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 39 G 7.80 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.71 4.45 1.91 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 1.56 1.46 0.96 0.00 0.00 41 T 9.00 5.40 4.70 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 1.37 0.00 0.00 42 G 7.08 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 0.00 0.00 0.00 43 L 7.50 4.83 0.00 1.78 1.01 0.83 0.45 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 44 L 8.96 5.21 0.00 1.72 1.57 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 45 C 9.64 5.41 0.00 3.06 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 46 Y 8.74 4.91 0.00 3.01 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.31 4.60 0.00 3.72 3.46 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 48 K 7.47 3.65 0.00 1.82 1.62 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.06 7.81 49 P 0.00 4.85 0.00 2.08 2.25 0.00 3.64 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 1.93 1.73 0.00 50 A 7.93 5.09 1.17 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 51 F 8.91 5.41 0.00 3.18 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 52 L 9.46 4.88 0.00 1.63 1.49 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.18 5.07 0.00 1.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 54 V 8.24 4.81 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 -0.16 0.00 0.00 0.89 0.00 0.00 55 L 9.13 5.25 0.00 1.62 1.64 1.10 0.84 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 56 E 10.27 5.15 0.00 1.96 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 2.33 2.36 0.00 57 G 8.12 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 0.00 0.00 0.00 58 E 8.11 4.42 0.00 2.07 1.85 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 2.45 2.51 0.00 59 C 8.92 3.68 0.00 2.96 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.07 3.93 0.00 2.01 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 2.32 1.98 0.00 61 Q 7.96 4.17 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 62 V 8.05 3.62 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 1.17 0.00 0.00 1.06 0.00 0.00 63 N 8.32 4.43 0.00 3.04 2.90 0.00 0.00 6.72 7.57 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 64 E 8.52 3.93 0.00 2.09 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 0.00 2.30 2.50 0.00 65 T 8.46 3.85 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 1.24 0.00 0.00 66 Y 8.32 3.95 0.00 2.90 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 67 H 8.16 3.83 0.00 3.17 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.92 4.08 0.00 1.91 2.12 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 69 I 7.70 3.55 1.77 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.55 0.87 0.00 0.00 70 V 7.08 3.32 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 0.65 0.00 0.00 -0.01 0.00 0.00 71 Q 7.61 4.21 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.61 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 72 D 8.02 4.41 0.00 2.66 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.64 3.90 0.00 2.03 1.85 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 2.23 1.90 0.00 74 R 9.54 4.34 0.00 1.86 2.04 0.00 3.08 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 75 H 7.73 5.41 0.00 3.51 3.51 0.00 5.56 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 76 H 8.94 4.72 0.00 3.35 3.45 0.00 5.61 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.70 3.88 0.00 3.99 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 78 P 0.00 4.69 0.00 2.25 1.99 0.00 3.70 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.85 0.00 79 Q 9.61 4.68 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.04 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 80 I 8.57 4.08 1.84 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 0.85 0.44 0.79 0.00 0.00 81 I 8.96 4.26 2.00 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 1.13 0.73 0.92 0.00 0.00 82 E 7.76 4.75 0.00 2.01 1.73 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 0.00 2.28 2.30 0.00 83 C 8.50 5.32 0.00 2.94 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 84 M 8.75 4.56 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 85 P 0.00 4.10 0.00 1.74 1.74 0.00 3.34 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 86 I 8.25 4.59 1.84 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 1.31 0.65 0.86 0.00 0.00 87 R 8.75 4.06 0.00 1.80 2.01 0.00 3.38 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 88 R 7.20 4.48 0.00 1.83 1.82 0.00 2.99 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 89 R 8.37 4.33 0.00 1.81 2.03 0.00 3.19 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 90 N 9.14 4.63 0.00 2.09 2.16 0.00 0.00 6.79 7.12 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 91 F 8.22 4.65 0.00 3.34 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 92 E 8.10 4.10 0.00 2.05 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 2.18 2.21 0.00 93 V 7.43 3.65 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 0.60 0.00 0.00 0.08 0.00 0.00 94 W 7.78 4.97 0.00 3.55 2.98 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 95 S 8.89 4.29 0.00 4.05 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 96 M 7.43 5.09 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 97 Q 8.61 4.57 0.00 1.20 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 98 A 8.21 5.10 1.13 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 0.00 0.00 99 I 8.58 4.49 1.82 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.09 0.95 0.00 0.00 100 T 8.55 4.96 4.36 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 1.29 0.00 0.00 101 V 8.93 4.47 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 1.14 0.00 0.00 1.14 0.00 0.00 102 N 8.99 5.11 0.00 2.85 2.85 0.00 0.00 6.72 8.51 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 0.00 103 D 8.74 4.49 0.00 2.68 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.67 4.52 0.00 1.64 1.69 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.69 4.52 0.00 3.97 3.90 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 0.00 106 T 8.21 4.15 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 1.22 0.00 0.00 107 E 8.92 3.94 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 108 Q 8.08 3.97 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 109 V 7.74 3.70 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 1.18 0.00 0.00 1.01 0.00 0.00 110 K 8.35 4.02 0.00 2.05 1.90 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.54 7.81 111 T 8.18 3.95 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 112 L 7.59 4.14 0.00 2.07 2.02 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.14 3.82 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 0.95 0.00 0.00 1.11 0.00 0.00 114 L 8.03 4.08 0.00 1.98 1.83 0.89 0.21 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 0.00 115 K 7.96 3.81 0.00 1.80 1.57 0.00 1.62 0.00 0.00 0.89 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.67 1.20 7.81 116 Y 7.30 4.74 0.00 3.05 2.98 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 0.00 117 S 7.73 4.60 0.00 3.96 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 0.00 118 G 8.55 3.34 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 0.00 119 F 7.39 4.75 0.00 2.86 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.68 4.23 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 121 T 7.70 4.20 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 1.17 0.00 0.00 122 L 8.23 3.99 0.00 1.44 1.49 0.11 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.01 4.45 0.00 1.82 1.75 0.00 3.14 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 124 P 0.00 4.17 0.00 2.14 2.08 0.00 3.53 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 2.07 2.02 0.00 125 S 8.13 4.20 0.00 3.98 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 0.00 126 A 7.91 4.81 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 0.00 127 M 7.87 5.01 0.00 1.97 2.03 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 2.50 2.66 0.00 128 D 8.70 4.81 0.00 2.93 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 0.00 129 P 0.00 4.21 0.00 2.18 2.17 0.00 3.60 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 2.12 2.32 0.00 130 E 8.20 3.94 0.00 2.04 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 2.39 2.40 0.00 131 Q 9.16 3.90 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 132 C 8.35 4.10 0.00 3.11 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 0.00 133 L 7.99 4.03 0.00 1.79 1.66 1.08 0.60 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 0.00 134 N 8.12 4.22 0.00 2.23 2.25 0.00 0.00 6.68 7.75 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 0.00 135 F 7.76 4.12 0.00 2.98 3.23 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 0.00 136 L 8.11 4.02 0.00 2.07 1.87 0.90 0.49 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 0.00 137 L 8.23 3.97 0.00 1.71 1.67 0.88 0.68 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 0.00 138 D 8.21 4.51 0.00 2.76 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 0.00 139 I 7.97 3.67 1.47 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.27 0.87 0.00 0.00 140 A 8.37 4.65 1.63 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 0.00 0.00 141 K 7.91 4.05 0.00 2.01 1.98 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.48 7.81 142 I 7.23 4.25 1.80 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 1.50 0.64 0.97 0.00 0.00 143 Y 7.86 4.26 0.00 3.40 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