NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5346 8.2649 122.4704 52.3429 19.3705 175.0294 2 T 4.4176 9.1197 118.3026 62.2369 70.7916 172.4076 3 K 5.2939 8.9394 125.3142 54.8640 37.1093 174.6347 4 A 5.4396 9.0874 123.9534 50.9153 23.4584 175.0926 5 V 4.9937 8.8574 117.4148 60.9775 35.4510 173.3593 6 C 4.9108 9.1996 122.3605 58.1705 35.5056 172.6628 7 V 4.4849 8.4952 126.4324 61.7067 32.8432 174.2697 8 L 4.8860 8.6999 129.3126 53.9484 43.1679 176.2592 9 K 4.9860 9.0825 121.8637 55.3767 37.0194 175.8488 10 G 4.2776 8.0176 109.6174 44.2825 0.0000 172.2645 11 D 4.5257 8.9437 118.5636 56.3255 42.0213 177.0826 12 G 4.1224 7.6576 110.8615 44.7108 0.0000 172.1364 13 P 4.4792 0.0000 0.0000 63.1041 32.0073 176.2565 14 V 4.1608 7.5532 120.7286 63.0520 32.0149 175.0499 15 Q 4.8777 9.0236 125.4981 54.8726 32.3179 174.1828 16 G 4.4588 8.6102 106.3461 45.3996 0.0000 171.6216 17 I 5.0975 8.6053 120.7398 59.0924 41.5253 174.0971 18 I 4.7911 8.8115 129.3763 59.5547 41.0101 173.9511 19 N 4.9643 8.3896 124.1273 51.2141 41.2361 173.7945 20 F 5.3871 8.8790 120.7090 55.8019 42.9399 173.9074 21 E 5.2852 9.5510 122.4737 54.9301 33.7886 173.8208 22 Q 4.7912 9.3681 127.3319 54.5104 31.4878 175.7244 23 K 4.2461 9.0444 127.2705 58.6454 32.7532 177.6563 24 E 4.7204 7.7621 116.8054 53.8682 33.1086 174.9765 25 S 4.1872 8.8550 117.8513 60.7301 63.1815 174.0275 26 N 4.1551 8.9710 120.0526 54.0003 36.0651 174.3465 27 G 4.0203 8.0336 108.5935 43.3368 0.0000 172.0752 28 P 4.6434 0.0000 0.0000 62.8312 32.2844 175.9134 29 V 4.5918 8.8044 122.3275 61.5097 33.5489 174.6861 30 K 4.9609 9.2122 128.1188 55.6545 34.0189 175.9113 31 V 4.8588 9.3147 124.7032 60.8396 34.4095 174.2385 32 W 5.6070 8.8734 124.4876 54.5911 31.8902 175.5593 33 G 3.7962 7.5118 106.9164 46.3377 0.0000 170.9653 34 S 5.0704 7.8358 114.7575 56.9241 66.6998 174.3500 35 I 5.2384 8.8466 125.7741 59.3856 41.0249 174.5745 36 K 4.8390 9.2074 125.2739 55.6311 36.3627 176.7331 37 G 3.6391 8.8999 107.0925 46.0367 0.0000 173.5859 38 V 4.3591 7.2625 112.4360 58.8960 34.1107 175.5861 39 T 4.3336 8.0965 111.2700 60.8937 69.4957 174.1700 40 E 4.0979 8.6169 123.9114 57.6204 30.3830 175.2283 41 G 3.7878 8.4385 110.8839 43.9549 0.0000 172.2426 42 L 4.7986 8.2324 119.1369 54.7449 42.8921 176.5163 43 H 4.9978 9.2941 119.7980 53.6526 32.6178 173.4559 44 G 4.0140 9.0402 111.1217 46.7824 0.0000 172.6671 45 F 5.4235 8.8471 124.8183 57.3191 42.1780 172.8188 46 H 5.0882 8.8251 122.7211 54.0654 33.8549 172.8025 47 V 4.3808 8.4793 121.3501 62.6154 32.5373 175.1026 48 H 5.1153 9.4292 125.5320 54.5243 30.5892 175.9336 49 E 3.7414 8.8176 122.3956 58.8979 29.4262 177.2355 50 F 5.0063 7.9148 118.0175 55.7600 41.2595 176.3124 51 G 4.1991 8.4505 113.3656 44.6242 0.0000 173.8303 52 D 4.8238 7.9821 117.6487 52.4921 43.2663 174.4547 53 N 5.1576 8.5224 124.6191 53.6409 39.6996 176.0091 54 T 3.7869 8.5443 114.9240 66.0239 68.4438 176.0588 55 A 4.6111 8.2166 121.7313 51.6403 19.8800 177.2562 56 G 3.8485 7.8185 108.3693 46.3156 0.0000 174.0798 57 C 4.2816 8.7492 114.4425 60.2994 34.2776 175.7323 58 T 3.7464 7.9822 114.3136 65.2429 66.6621 175.6466 59 S 4.3455 8.0619 115.2590 60.3017 63.1631 175.5732 60 A 4.5177 7.7213 125.0550 53.7953 18.3909 178.6297 61 G 4.1185 8.1777 105.6521 44.7407 0.0000 170.8650 62 P 4.7050 0.0000 0.0000 61.9728 33.7844 175.3838 63 H 4.3723 8.4468 116.5003 55.7496 29.5414 175.5584 64 F 4.2407 9.1342 125.2301 58.1395 40.1868 174.9731 65 N 5.0970 7.8774 126.6382 51.5119 38.7130 173.1969 66 P 4.1768 0.0000 0.0000 64.9885 32.0817 177.8286 67 L 4.3761 7.6082 116.9373 53.6217 42.0725 176.2317 68 S 3.6104 7.5046 113.5217 59.7735 60.6581 171.8973 69 R 4.5219 8.0919 117.5160 54.3296 32.0478 176.8057 70 K 4.3467 8.3366 118.0454 56.0718 33.6564 176.2995 71 H 3.9844 8.5268 123.0440 56.8991 30.3342 174.9645 72 G 4.1122 7.4592 110.5121 45.3610 0.0000 172.1736 73 G 4.1339 9.0257 109.3642 43.5655 0.0000 173.3741 74 P 4.3621 0.0000 0.0000 65.2204 31.3817 177.4388 75 K 4.3360 7.9675 115.8992 56.4431 32.3246 175.9644 76 D 4.7984 7.6338 119.6996 52.7580 42.1883 176.4104 77 E 3.9035 8.7882 124.1080 59.1785 29.6198 176.9080 78 E 4.2343 7.9683 122.9328 55.2992 28.4638 174.8698 79 R 4.7852 7.5835 119.6515 54.7586 32.6787 174.9432 80 H 4.5617 8.9717 116.6741 55.4200 29.3614 177.0082 81 V 3.4612 8.3143 122.5253 66.3730 31.3590 177.1166 82 G 3.8863 8.2765 104.6571 47.1531 0.0000 173.5496 83 D 5.0099 8.1414 121.2737 53.6483 40.0729 175.6471 84 L 4.5758 8.4947 121.4203 53.1530 42.7302 177.6641 85 G 4.1576 8.7432 108.8888 45.7192 0.0000 174.4918 86 N 5.6619 8.5860 120.2938 51.3613 42.2061 173.2594 87 V 4.3457 8.5315 114.4395 60.0574 34.4824 174.9357 88 T 5.0359 8.2513 118.6072 61.8792 71.4057 172.9293 89 A 4.9487 9.0855 129.0196 50.4294 21.8946 176.6143 90 D 4.8547 8.3456 120.6244 51.5929 41.4100 177.2807 91 K 4.1845 8.4885 119.2675 59.4138 32.0647 177.4258 92 D 4.3696 8.1651 117.1785 55.3603 41.0961 177.0496 93 G 4.0947 8.7363 107.9730 44.9269 0.0000 172.2923 94 V 4.7475 8.2233 119.7554 60.6849 33.8194 174.2189 95 A 5.0992 9.0856 129.8149 49.5240 21.2080 174.7403 96 D 4.8873 8.6706 122.9983 53.1478 42.6042 176.1031 97 V 4.2031 8.6408 123.9870 61.1789 33.7829 174.6077 98 S 4.8494 8.6288 122.5640 57.2240 64.2594 172.5524 99 I 4.8124 9.2654 128.0435 59.2282 41.1822 174.2466 100 E 5.2175 8.8504 125.3863 54.5181 32.3570 174.3461 101 D 4.9489 9.4004 125.7918 52.9072 44.6448 175.8388 102 S 4.6442 9.0095 119.7313 58.6974 63.9922 174.9585 103 V 4.0677 8.0275 119.9559 64.4932 32.1441 176.3618 104 I 3.9886 7.8810 111.6411 61.2019 38.1274 174.6412 105 S 4.6889 8.4669 114.8904 57.3062 65.5642 174.1381 106 L 4.4890 8.8345 122.0299 54.2960 41.5756 176.1948 107 S 4.5012 7.7310 112.6690 57.7576 66.5909 174.3044 108 G 3.8496 8.5296 108.7102 44.6597 0.0000 173.4645 109 D 4.5727 8.5710 116.7226 55.6286 39.8209 176.3972 110 H 4.9733 8.1142 116.9884 55.7400 28.9316 174.0819 111 C 4.5813 7.9993 120.9753 59.5179 32.0232 173.4375 112 I 3.9202 7.9992 118.4532 60.3457 38.1616 175.6549 113 I 3.6865 7.3022 123.0826 62.9404 37.5793 176.2177 114 G 3.8017 9.3740 113.3877 45.3311 0.0000 172.6908 115 R 4.9587 7.4263 118.4695 54.6450 33.8298 174.5461 116 T 4.9892 7.9752 116.2423 62.0067 71.0488 173.8517 117 L 4.7831 8.6124 128.4068 53.9095 44.1243 175.3175 118 V 4.9333 8.6778 125.6645 60.9996 35.0587 174.1371 119 V 4.9932 8.5350 127.1974 60.6040 33.4469 174.9955 120 H 5.2458 9.0354 122.2500 54.2369 30.3355 174.9471 121 E 4.1807 9.2947 122.0514 58.8985 30.1728 176.3874 122 K 4.7764 8.2281 117.2473 53.7641 35.9467 175.4107 123 A 4.4701 8.3432 122.0768 52.3729 19.5739 176.1777 124 D 5.1196 9.7645 122.7959 53.3526 41.9091 175.9700 125 D 4.6382 9.2396 125.1677 52.8503 39.4284 176.6010 126 L 3.4585 9.5960 119.3113 56.1739 39.6900 176.0041 127 G 4.2479 8.4547 104.1239 46.1668 0.0000 174.9347 128 K 4.5040 8.1201 117.2985 56.0065 31.8858 177.7710 129 G 3.7168 7.8952 110.1191 45.3831 0.0000 175.8832 130 G 4.4269 8.3267 107.0643 46.1293 0.0000 172.5249 131 N 5.0805 7.2786 115.3804 49.7452 40.3095 174.6688 132 E 4.0498 8.6558 118.2873 59.5569 29.6122 178.5022 133 E 4.0437 8.1207 117.8439 58.8625 29.5917 178.7930 134 S 4.2002 8.2339 114.0590 61.3784 62.3286 175.3624 135 T 4.4175 7.7059 109.9729 61.9446 68.5108 175.1047 136 K 4.2744 7.6947 118.7679 58.1143 34.2622 177.0285 137 T 4.0792 8.2895 106.5271 60.2440 70.2550 175.5935 138 G 3.8446 8.1979 110.1096 45.3474 0.0000 173.3601 139 N 4.3310 7.8797 114.3218 54.2165 36.5730 175.1408 140 A 4.3959 7.0194 119.9115 51.6539 19.7546 179.8739 141 G 4.0419 8.0309 103.4248 45.0094 0.0000 173.0559 142 S 4.4635 7.7078 113.4110 58.4643 64.9661 173.9495 143 R 4.5556 8.3193 119.3451 55.0727 29.8853 176.6396 144 L 4.3523 8.9671 125.5534 57.2729 43.1687 176.9466 145 A 4.7771 7.6671 117.6524 51.5098 22.6748 174.0394 146 C 5.5261 8.5030 113.1015 56.1608 46.8630 172.7796 147 G 4.7531 8.0608 104.5039 46.2043 0.0000 172.4315 148 V 4.4402 8.2499 120.7820 62.1749 32.8969 175.4196 149 I 4.2192 8.8076 129.1138 60.7761 38.1142 175.2511 150 G 4.4353 8.9856 114.6852 43.9886 0.0000 172.2950 151 I 4.4362 8.3129 122.0666 61.0823 37.6792 175.4216 152 A 4.8034 8.4609 128.0638 49.6858 22.1826 176.2210 153 Q 4.0702 8.4850 118.6414 56.4679 29.2251 175.8306 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 A 8.26 4.53 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 2 T 9.12 4.42 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 1.22 0.00 0.00 3 K 8.94 5.29 0.00 1.71 1.72 0.00 1.86 0.00 0.00 1.94 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.49 7.81 4 A 9.09 5.44 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 5 V 8.86 4.99 2.07 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 0.80 0.00 0.00 0.95 0.00 0.00 6 C 9.20 4.91 0.00 3.13 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 7 V 8.50 4.48 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 0.93 0.00 0.00 0.92 0.00 0.00 8 L 8.70 4.89 0.00 1.73 1.59 1.05 0.76 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 9 K 9.08 4.99 0.00 1.65 1.62 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 8.02 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 0.00 0.00 0.00 0.00 11 D 8.94 4.53 0.00 2.68 2.73 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 0.00 0.00 0.00 12 G 7.66 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.48 0.00 2.18 2.16 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.94 0.00 14 V 7.55 4.16 2.07 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 0.79 0.00 0.00 0.97 0.00 0.00 15 Q 9.02 4.88 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.40 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 16 G 8.61 4.46 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 0.00 0.00 0.00 17 I 8.61 5.10 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.23 0.86 0.00 0.00 18 I 8.81 4.79 1.81 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 1.25 1.13 0.42 0.00 0.00 19 N 8.39 4.96 0.00 1.44 1.42 0.00 0.00 6.42 8.11 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 20 F 8.88 5.39 0.00 2.90 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.55 5.29 0.00 2.49 2.12 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 2.33 2.41 0.00 22 Q 9.37 4.79 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 23 K 9.04 4.25 0.00 1.81 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.49 7.81 24 E 7.76 4.72 0.00 1.98 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 25 S 8.86 4.19 0.00 3.86 3.86 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 0.00 0.00 0.00 26 N 8.97 4.16 0.00 2.87 2.90 0.00 0.00 7.03 7.65 0.00 0.00 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 G 8.03 4.02 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 0.00 0.00 0.00 28 P 0.00 4.64 0.00 2.13 2.10 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 29 V 8.80 4.59 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 1.35 0.00 0.00 1.06 0.00 0.00 30 K 9.21 4.96 0.00 1.98 1.84 0.00 1.50 0.00 0.00 1.52 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.62 1.42 7.81 31 V 9.31 4.86 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 0.82 0.00 0.00 1.09 0.00 0.00 32 W 8.87 5.61 0.00 3.49 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 33 G 7.51 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 34 S 7.84 5.07 0.00 3.87 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.85 5.24 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.56 0.87 0.00 0.00 36 K 9.21 4.84 0.00 1.71 1.85 0.00 1.33 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.34 7.81 37 G 8.90 3.64 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 0.00 0.00 0.00 38 V 7.26 4.36 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 0.73 0.00 0.00 0.86 0.00 0.00 39 T 8.10 4.33 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 1.24 0.00 0.00 40 E 8.62 4.10 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 41 G 8.44 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 42 L 8.23 4.80 0.00 1.49 1.72 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.29 5.00 0.00 3.00 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.04 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 45 F 8.85 5.42 0.00 2.94 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 46 H 8.83 5.09 0.00 3.13 3.06 0.00 5.85 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.48 4.38 2.13 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 0.88 0.00 0.00 0.87 0.00 0.00 48 H 9.43 5.12 0.00 3.07 3.40 0.00 5.70 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.82 3.74 0.00 1.61 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 1.47 2.12 0.00 50 F 7.91 5.01 0.00 3.16 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.45 4.20 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 0.00 0.00 0.00 52 D 7.98 4.82 0.00 2.62 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 53 N 8.52 5.16 0.00 2.75 2.68 0.00 0.00 7.15 7.22 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 54 T 8.54 3.79 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 55 A 8.22 4.61 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 56 G 7.82 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 57 C 8.75 4.28 0.00 2.96 3.11 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 0.00 0.00 0.00 58 T 7.98 3.75 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 59 S 8.06 4.35 0.00 4.18 4.02 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 60 A 7.72 4.52 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 0.00 0.00 61 G 8.18 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.70 0.00 2.04 2.20 0.00 3.59 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 63 H 8.45 4.37 0.00 2.79 3.18 0.00 5.72 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 64 F 9.13 4.24 0.00 2.86 2.97 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 65 N 7.88 5.10 0.00 2.55 2.42 0.00 0.00 6.91 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 66 P 0.00 4.18 0.00 2.05 1.92 0.00 2.98 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.01 0.00 67 L 7.61 4.38 0.00 1.54 1.66 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.50 3.61 0.00 3.98 3.88 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 69 R 8.09 4.52 0.00 1.87 1.98 0.00 3.37 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 1.53 1.75 0.00 70 K 8.34 4.35 0.00 1.68 1.69 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.52 1.42 7.81 71 H 8.53 3.98 0.00 3.14 3.30 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.46 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 73 G 9.03 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 0.00 0.00 0.00 74 P 0.00 4.36 0.00 2.23 2.36 0.00 3.79 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 2.02 2.05 0.00 75 K 7.97 4.34 0.00 1.77 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.47 7.81 76 D 7.63 4.80 0.00 2.79 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.79 3.90 0.00 1.92 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 2.28 2.29 0.00 78 E 7.97 4.23 0.00 2.06 1.81 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 2.33 2.30 0.00 79 R 7.58 4.79 0.00 1.83 1.88 0.00 2.87 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.57 0.00 80 H 8.97 4.56 0.00 3.50 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.31 3.46 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 0.80 0.00 0.00 0.44 0.00 0.00 82 G 8.28 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 83 D 8.14 5.01 0.00 2.69 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 84 L 8.49 4.58 0.00 1.82 1.88 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.74 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 0.00 0.00 0.00 0.00 86 N 8.59 5.66 0.00 2.58 2.69 0.00 0.00 6.65 7.68 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 87 V 8.53 4.35 1.83 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 -0.15 0.00 0.00 0.73 0.00 0.00 88 T 8.25 5.04 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 1.20 0.00 0.00 89 A 9.09 4.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.35 4.85 0.00 2.94 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 91 K 8.49 4.18 0.00 1.71 1.89 0.00 1.70 0.00 0.00 1.89 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.53 7.81 92 D 8.17 4.37 0.00 3.02 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 93 G 8.74 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 0.00 0.00 0.00 94 V 8.22 4.75 2.07 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 0.96 0.00 0.00 0.92 0.00 0.00 95 A 9.09 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 96 D 8.67 4.89 0.00 2.55 2.61 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 97 V 8.64 4.20 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 0.80 0.00 0.00 0.64 0.00 0.00 98 S 8.63 4.85 0.00 3.90 3.73 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 0.00 0.00 0.00 99 I 9.27 4.81 1.99 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.55 1.04 0.00 0.00 100 E 8.85 5.22 0.00 1.96 1.82 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 2.22 2.32 0.00 101 D 9.40 4.95 0.00 2.85 2.52 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 0.00 102 S 9.01 4.64 0.00 3.92 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 0.00 103 V 8.03 4.07 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 0.82 0.00 0.00 0.95 0.00 0.00 104 I 7.88 3.99 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.81 1.03 0.00 0.00 105 S 8.47 4.69 0.00 3.82 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.83 4.49 0.00 1.78 1.63 1.03 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.73 4.50 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 0.00 108 G 8.53 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 0.00 109 D 8.57 4.57 0.00 2.86 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 8.11 4.97 0.00 3.30 3.49 0.00 5.81 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.00 4.58 0.00 3.22 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 0.00 112 I 8.00 3.92 1.61 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.11 0.96 0.00 0.00 113 I 7.30 3.69 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.37 0.83 0.00 0.00 114 G 9.37 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 0.00 115 R 7.43 4.96 0.00 1.61 1.78 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.20 0.00 116 T 7.98 4.99 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 117 L 8.61 4.78 0.00 1.76 1.52 0.37 0.69 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 0.00 118 V 8.68 4.93 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 0.69 0.00 0.00 0.73 0.00 0.00 119 V 8.54 4.99 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 0.75 0.00 0.00 0.97 0.00 0.00 120 H 9.04 5.25 0.00 3.29 3.56 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.29 4.18 0.00 2.00 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 0.00 2.36 2.34 0.00 122 K 8.23 4.78 0.00 1.84 1.69 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.38 7.81 123 A 8.34 4.47 1.23 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 0.00 0.00 124 D 9.76 5.12 0.00 2.77 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 0.00 125 D 9.24 4.64 0.00 2.94 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 0.00 126 L 9.60 3.46 0.00 1.87 1.84 0.94 1.01 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 0.00 127 G 8.45 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 0.00 0.00 0.00 0.00 128 K 8.12 4.50 0.00 1.86 1.81 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.54 7.81 129 G 7.90 3.72 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 0.00 0.00 0.00 130 G 8.33 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 0.00 0.00 0.00 0.00 131 N 7.28 5.08 0.00 2.68 2.79 0.00 0.00 6.77 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 0.00 132 E 8.66 4.05 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 133 E 8.12 4.04 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 134 S 8.23 4.20 0.00 4.06 4.04 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 0.00 135 T 7.71 4.42 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 1.21 0.00 0.00 136 K 7.69 4.27 0.00 2.01 1.78 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.49 7.81 137 T 8.29 4.08 4.18 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 1.26 0.00 0.00 138 G 8.20 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 7.88 4.33 0.00 3.04 2.92 0.00 0.00 6.85 7.34 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 0.00 140 A 7.02 4.40 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 0.00 141 G 8.03 4.04 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 0.00 0.00 0.00 142 S 7.71 4.46 0.00 4.01 4.06 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 0.00 143 R 8.32 4.56 0.00 1.68 1.84 0.00 3.19 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.65 0.00 144 L 8.97 4.35 0.00 1.71 1.70 0.91 0.70 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 0.00 145 A 7.67 4.78 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 0.00 146 C 8.50 5.53 0.00 3.04 3.11 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 0.00 0.00 0.00 147 G 8.06 4.75 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 0.00 0.00 0.00 148 V 8.25 4.44 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 0.83 0.00 0.00 0.92 0.00 0.00 149 I 8.81 4.22 1.80 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.33 0.44 0.00 0.00 150 G 8.99 4.44 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 0.00 151 I 8.31 4.44 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.54 0.91 0.00 0.00 152 A 8.46 4.80 1.20 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 0.00 0.00 153 Q 8.49 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00