NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 R 4.2617 8.2431 121.1235 56.6158 30.0922 174.4598 19 G 4.1972 8.0522 111.0051 44.0492 0.0000 168.1385 20 Q 4.6835 9.0909 118.8462 55.1339 33.7304 170.9996 21 I 5.0206 8.9281 126.5209 59.6049 40.3456 174.4000 22 Q 5.1081 9.3322 126.0035 53.9771 32.1618 174.6466 23 V 4.7300 8.9032 123.4353 61.1192 34.6462 174.1030 24 I 4.6708 9.3068 129.5288 59.8874 39.1246 175.0595 25 L 5.6706 9.4378 127.6486 51.5362 44.7154 176.2867 26 G 4.2434 7.4339 109.3357 44.1230 0.0000 170.4219 27 P 4.5331 0.0000 0.0000 61.6391 32.4605 175.8196 28 M 3.7943 8.2002 117.4556 56.5264 32.0235 177.0005 29 F 4.0927 8.0025 117.4342 58.7270 36.3169 176.1361 30 S 4.6432 7.6286 114.2512 57.7935 63.5446 174.4129 31 G 3.8662 8.0854 109.3791 47.0181 0.0000 176.0899 32 K 3.8633 8.3214 120.5428 59.5408 32.0865 178.9023 33 S 4.1185 8.0104 114.6165 61.8301 62.6669 176.8242 34 T 3.8863 7.8191 118.0390 66.5765 68.3146 176.2304 35 E 3.8980 8.3744 121.3728 58.9439 29.6126 178.4328 36 L 3.9434 8.1602 120.6709 58.6492 42.1513 178.9930 37 M 4.0643 8.1270 118.4367 58.2094 31.7201 178.5200 38 R 3.8727 8.2210 119.1237 59.7487 29.7452 178.8192 39 R 3.8918 8.0346 117.5880 59.1891 30.0847 179.2710 40 V 3.6278 8.0391 118.1376 66.2031 31.5513 178.3786 41 R 4.0382 8.5441 118.1149 59.0178 29.5635 179.1929 42 R 3.8189 7.4611 117.5867 59.2960 30.3868 178.7516 43 F 4.3226 7.5890 117.1281 60.3957 38.8892 177.6072 44 Q 4.2574 8.3205 119.2742 59.3978 28.7251 178.2537 45 I 3.8057 7.9517 117.5938 62.9732 37.9471 176.4713 46 A 4.5927 7.6137 120.0911 51.9586 19.1820 177.5240 47 Q 3.9345 8.1841 117.0259 57.1540 27.0888 173.7022 48 Y 4.1723 7.8430 115.5419 57.6989 38.8447 175.4375 49 K 4.3644 8.6515 123.0984 56.5584 33.2814 175.7740 50 C 5.4104 8.7558 121.8423 57.8500 31.9559 173.1431 51 L 4.8008 8.9731 123.1431 53.3330 45.5384 175.0557 52 V 4.8653 8.4575 125.0495 61.1736 34.4374 173.8410 53 I 5.1679 9.1043 128.8204 59.3418 39.8443 174.7864 54 K 5.0949 8.9348 125.3773 54.8064 36.6451 174.6820 55 Y 4.7682 8.2679 120.7439 57.5149 38.9220 176.4708 56 A 3.8916 8.5673 131.2377 55.1145 18.5972 178.4357 57 K 3.7371 6.2797 112.6206 57.4533 32.3796 176.6573 58 D 4.5630 7.3320 118.9893 53.1606 39.9759 175.1281 59 T 4.4708 8.0292 114.2945 60.9268 69.2520 175.4241 60 R 3.9128 7.6317 121.4130 56.6699 30.4251 175.6577 61 Y 3.8486 8.6304 122.5302 58.1895 38.3241 175.5735 *75 A 4.3202 8.1090 130.2009 51.9886 18.9370 173.9129 76 L 4.3660 8.6279 121.2953 53.6240 42.9946 174.6748 77 P 5.0295 0.0000 0.0000 62.9335 32.4655 175.3192 78 A 4.6983 9.0802 122.3973 51.6629 22.5246 176.5421 79 C 4.6521 8.9448 115.9557 59.9612 30.4606 174.8197 80 L 5.0944 7.7552 117.4944 52.1195 44.9588 177.6879 81 L 3.4817 8.8867 122.9109 57.2977 41.4050 179.5947 82 R 3.9915 8.1340 119.0234 59.7675 29.7013 177.8730 83 D 4.6239 7.8238 116.4969 55.8555 41.0483 176.9412 84 V 4.4781 7.5561 117.5357 61.7770 32.9831 176.6303 85 A 4.3136 8.0305 121.9773 55.8483 17.8443 179.9155 86 Q 3.9193 7.9892 116.6131 59.4834 29.4136 177.8692 87 E 4.1054 8.2081 118.8845 59.4157 29.1863 179.0441 88 A 4.0492 8.1650 120.7762 55.1323 18.1716 179.6940 89 L 4.0952 7.8333 116.7595 57.2092 41.6360 178.1900 90 G 4.0299 7.4502 106.1468 45.0574 0.0000 173.2871 91 V 4.4542 7.2506 117.5672 60.6640 34.7605 175.1426 92 A 4.4057 8.4970 125.4133 53.2241 20.6270 177.3063 93 V 4.6000 7.9203 115.4280 61.0773 34.8310 174.6808 94 I 4.8577 9.0158 129.0110 59.5148 40.0466 174.6040 95 G 4.3569 9.3402 115.1874 44.6570 0.0000 172.3086 96 I 4.9765 9.0593 125.4712 59.4367 38.9187 173.9791 97 D 4.8669 9.3477 127.9947 53.0951 43.1649 176.0887 98 E 3.8128 8.7447 123.6863 57.2629 26.8639 176.4183 99 G 3.9088 8.2252 109.2858 48.4204 0.0000 175.6703 100 Q 3.7982 7.5484 116.7534 58.3494 28.4475 177.1156 101 F 4.1951 7.0682 115.6882 57.7818 39.3460 175.4523 102 F 4.6410 7.6241 120.8731 55.4121 39.1044 175.0963 103 P 4.3620 0.0000 0.0000 64.8835 31.5649 176.9464 104 D 5.0617 8.0349 116.4583 53.1655 40.0252 177.8154 105 I 3.6694 7.7346 122.5944 64.8998 37.7682 177.9565 106 V 3.5716 7.7361 118.5671 66.0489 31.6259 177.7160 107 E 4.0099 8.1598 116.9786 59.2665 29.4202 178.6316 108 F 4.0543 8.3065 121.5751 61.2703 39.4600 176.9143 109 C 4.0348 8.1352 116.2392 62.7430 27.9129 175.7439 110 E 3.8489 8.2276 120.5828 59.2606 29.3314 178.7257 111 A 3.9075 7.9386 120.7375 55.4378 18.4092 179.5918 112 M 3.7931 7.9363 117.1044 58.2400 31.9684 178.8909 113 A 4.1393 8.2002 121.3938 55.2819 18.3521 179.4898 114 N 4.3681 8.1518 113.6557 55.7137 38.6052 176.5141 115 A 4.3913 7.5342 120.2401 51.9162 18.6134 177.9415 116 G 3.8283 7.8822 105.8389 45.7191 0.0000 173.8523 117 K 4.4833 7.9005 119.0561 55.4986 34.4316 176.0925 118 T 4.4327 8.2329 120.1963 62.7402 69.8766 173.9243 119 V 4.7718 8.8316 127.7965 61.0620 34.0770 174.2563 120 I 4.9786 9.0591 128.9165 59.4527 40.2484 174.5793 121 V 4.7860 8.9602 127.1044 61.0154 34.2667 173.8175 122 A 5.1521 8.8956 130.1489 50.6177 21.0800 175.4874 123 A 4.7688 8.6656 122.1816 50.4581 23.2741 175.7075 124 L 4.5530 8.4505 121.7249 54.4289 41.8476 177.5020 125 D 4.4963 8.9798 123.0382 54.8494 40.2651 176.5014 126 G 4.3368 7.7339 106.6652 43.2902 0.0000 172.7452 127 T 4.2311 8.3101 112.5498 60.2320 70.1683 175.2020 128 F 4.8761 8.9396 114.9033 58.9739 37.8544 175.7039 129 Q 4.2139 7.5122 119.2250 54.0662 28.7111 175.7537 130 R 3.9070 7.5698 115.8238 57.2670 28.2154 176.2186 131 K 4.5363 6.8484 112.5323 53.4740 34.6127 174.4843 132 P 4.4141 0.0000 0.0000 63.3868 31.3395 176.2210 133 F 4.3699 8.7952 125.1558 57.2093 39.5509 175.4670 134 G 3.9519 8.4063 120.5944 47.2102 0.0000 172.9959 135 A 4.5357 8.3738 126.4971 51.9429 19.6460 178.5264 136 I 3.6964 7.4755 118.2885 64.4529 37.9234 177.9053 137 L 4.1433 7.8840 118.8746 57.1164 41.3278 178.5106 138 N 4.5254 7.9589 115.6364 55.4130 38.6758 176.7447 139 L 4.1464 7.9452 121.0979 57.1854 41.7489 179.2089 140 V 3.5837 7.5641 118.5219 65.7416 31.3106 176.2896 141 P 4.4352 0.0000 0.0000 64.2623 31.3191 177.3955 142 L 4.3903 7.7652 116.2038 53.8226 42.6158 176.0750 143 A 4.6926 7.0905 122.2606 50.7657 20.2258 177.0031 144 E 4.3555 8.4964 119.0654 57.6670 30.8988 176.6837 145 S 4.6200 7.7744 115.6572 56.8140 65.9961 172.5885 146 V 5.0191 8.4449 126.3432 61.2113 34.3292 174.5766 147 V 4.5786 8.8148 126.4835 59.6853 35.1852 174.2821 148 K 4.8468 8.5219 123.2316 54.7394 33.8951 175.7427 149 L 4.4875 9.0886 128.3980 54.6478 42.9708 176.2809 150 T 4.7117 8.3443 115.6306 61.9376 71.9258 173.4288 151 A 4.8391 8.7052 125.9681 50.2712 22.8986 174.7962 152 V 4.5567 8.1277 118.0091 61.3932 33.1892 175.2930 153 C 4.4260 9.3907 129.3503 60.1034 32.0142 173.9566 154 M 4.3281 8.9893 125.7083 56.3366 31.9535 176.6532 155 E 4.2627 7.7225 117.7094 56.5884 31.5141 176.2394 156 C 4.3902 6.9902 109.7109 56.4547 31.0516 174.8248 157 F 4.3623 7.4830 117.6718 58.4636 36.6526 175.1694 158 R 4.5365 7.1728 121.1878 54.9696 32.5964 175.2382 159 E 4.5064 8.7890 119.1359 56.9991 30.1064 176.6463 160 A 4.9004 9.3666 126.0015 50.2865 21.2139 176.6123 161 A 4.3005 8.3968 121.9082 51.6350 21.0578 175.3593 162 Y 4.9504 7.7451 112.1633 56.3319 42.8041 174.4838 163 T 5.1705 8.6052 116.5257 61.9210 71.5839 173.1045 164 K 4.8172 9.5417 128.5633 54.8594 34.2628 175.0907 165 R 4.4378 8.8086 128.0437 56.1621 30.3510 176.0524 166 L 4.0099 8.6685 127.4273 57.8301 42.2839 178.1053 167 G 4.0332 7.7791 105.9376 44.5540 0.0000 172.7483 168 T 4.4339 8.1128 108.8026 60.8365 69.9396 174.2322 169 E 4.0238 7.8531 121.2947 56.8481 29.9983 177.4977 170 K 4.4723 8.0526 119.8477 56.9269 33.9333 177.1758 171 E 4.2095 7.9341 116.0210 56.0131 30.2586 177.2282 172 V 3.7473 8.4711 121.1382 66.1634 31.7758 176.4957 173 E 4.4312 8.1384 124.7933 55.6232 28.5276 176.0069 174 V 4.3378 8.2348 125.7013 60.7590 33.4333 175.0814 175 I 4.0467 8.5606 128.7784 60.4169 37.6273 176.0848 176 G 4.3041 7.7901 114.0266 46.0090 0.0000 173.1848 177 G 4.3936 8.0607 108.3795 45.3139 0.0000 176.2236 178 A 4.7736 9.3542 125.5308 53.7450 18.5977 178.4125 179 D 4.5376 8.2946 114.9697 55.3521 39.8673 177.1121 180 K 4.4128 8.3665 117.4968 56.2491 34.7651 175.8153 181 Y 5.4631 8.0113 116.4840 56.5908 42.8794 173.7011 182 H 5.4535 9.4254 119.3691 53.8842 32.5350 173.3967 183 S 5.1568 8.9489 117.7377 58.5598 64.6064 173.3525 184 V 4.9027 8.9687 122.0013 60.4304 35.3121 174.4906 185 C 4.8106 8.6774 117.7474 57.2683 31.1985 174.3710 186 R 4.0156 8.9366 118.9287 59.7932 29.5194 177.8493 187 L 4.3097 8.0104 118.0293 58.2859 41.3682 179.2969 188 C 4.2268 8.1622 115.9779 62.6144 27.7493 175.2010 189 Y 3.8996 8.2384 121.5371 60.2164 38.1198 177.3840 190 F 4.7452 7.6514 115.1952 57.2711 39.6393 175.8123 191 K 4.1646 7.5415 124.8045 56.6578 31.9738 176.1425 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 18 R 8.24 4.26 0.00 1.83 1.95 0.00 3.25 0.00 0.00 3.23 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 19 G 8.05 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 20 Q 9.09 4.68 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.70 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 21 I 8.93 5.02 1.85 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 1.19 0.48 0.90 0.00 0.00 22 Q 9.33 5.11 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 23 V 8.90 4.73 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 24 I 9.31 4.67 1.85 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 1.22 0.61 0.89 0.00 0.00 25 L 9.44 5.67 0.00 1.63 1.54 0.90 0.95 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 26 G 7.43 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 0.00 0.00 0.00 27 P 0.00 4.53 0.00 2.22 2.22 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 28 M 8.20 3.79 0.00 0.68 1.52 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.10 0.00 29 F 8.00 4.09 0.00 3.26 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.63 4.64 0.00 4.19 3.97 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 31 G 8.09 3.87 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 0.00 0.00 0.00 32 K 8.32 3.86 0.00 1.76 1.84 0.00 1.88 0.00 0.00 1.97 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.49 7.81 33 S 8.01 4.12 0.00 3.86 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 34 T 7.82 3.89 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 1.22 0.00 0.00 35 E 8.37 3.90 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 36 L 8.16 3.94 0.00 1.79 1.91 0.96 1.33 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 37 M 8.13 4.06 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.69 0.00 38 R 8.22 3.87 0.00 1.96 2.09 0.00 3.07 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 39 R 8.03 3.89 0.00 2.11 2.04 0.00 3.21 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 40 V 8.04 3.63 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 1.08 0.00 0.00 0.99 0.00 0.00 41 R 8.54 4.04 0.00 1.93 1.97 0.00 3.19 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 42 R 7.46 3.82 0.00 1.65 1.56 0.00 3.06 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 43 F 7.59 4.32 0.00 3.15 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 44 Q 8.32 4.26 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 45 I 7.95 3.81 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.95 0.99 0.00 0.00 46 A 7.61 4.59 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 47 Q 8.18 3.93 0.00 2.16 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.28 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 48 Y 7.84 4.17 0.00 3.12 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 49 K 8.65 4.36 0.00 1.71 1.76 0.00 1.63 0.00 0.00 1.84 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.43 7.81 50 C 8.76 5.41 0.00 2.85 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 51 L 8.97 4.80 0.00 1.71 1.46 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.46 4.87 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 0.97 0.00 0.00 0.95 0.00 0.00 53 I 9.10 5.17 1.72 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.49 0.72 0.00 0.00 54 K 8.93 5.09 0.00 1.87 1.93 0.00 1.32 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.38 7.81 55 Y 8.27 4.77 0.00 2.78 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 56 A 8.57 3.89 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 57 K 6.28 3.74 0.00 0.79 1.52 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.14 0.85 7.81 58 D 7.33 4.56 0.00 2.71 2.65 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 0.00 0.00 0.00 0.00 59 T 8.03 4.47 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 1.18 0.00 0.00 60 R 7.63 3.91 0.00 1.91 2.00 0.00 3.27 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 61 Y 8.63 3.85 0.00 2.92 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 *75 A 8.11 4.32 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 76 L 8.63 4.37 0.00 1.63 1.61 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 5.03 0.00 2.05 2.03 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 78 A 9.08 4.70 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 79 C 8.94 4.65 0.00 2.97 3.02 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 80 L 7.76 5.09 0.00 2.00 1.54 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.89 3.48 0.00 1.26 0.13 0.49 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.13 3.99 0.00 1.92 1.97 0.00 3.13 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 83 D 7.82 4.62 0.00 2.74 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 84 V 7.56 4.48 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 0.91 0.00 0.00 0.96 0.00 0.00 85 A 8.03 4.31 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 86 Q 7.99 3.92 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 87 E 8.21 4.11 0.00 2.28 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 2.41 2.45 0.00 88 A 8.16 4.05 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 89 L 7.83 4.10 0.00 1.96 1.74 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.45 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 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 Q 7.55 3.80 0.00 1.59 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.90 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 101 F 7.07 4.20 0.00 1.88 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 0.00 102 F 7.62 4.64 0.00 3.05 3.07 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 0.00 103 P 0.00 4.36 0.00 2.10 2.17 0.00 3.81 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 104 D 8.03 5.06 0.00 2.88 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 0.00 105 I 7.73 3.67 2.19 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.23 0.96 0.00 0.00 106 V 7.74 3.57 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 1.05 0.00 0.00 0.95 0.00 0.00 107 E 8.16 4.01 0.00 2.25 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 0.00 2.63 2.36 0.00 108 F 8.31 4.05 0.00 3.19 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 0.00 109 C 8.14 4.03 0.00 3.13 2.96 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 0.00 110 E 8.23 3.85 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 111 A 7.94 3.91 1.26 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 0.00 0.00 112 M 7.94 3.79 0.00 1.74 1.76 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 1.46 1.74 0.00 113 A 8.20 4.14 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 0.00 114 N 8.15 4.37 0.00 2.70 2.86 0.00 0.00 7.03 6.86 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 0.00 115 A 7.53 4.39 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 0.00 116 G 7.88 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 0.00 117 K 7.90 4.48 0.00 1.86 1.61 0.00 1.46 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.39 7.81 118 T 8.23 4.43 3.71 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 0.97 0.00 0.00 119 V 8.83 4.77 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 0.89 0.00 0.00 0.82 0.00 0.00 120 I 9.06 4.98 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.68 0.93 0.00 0.00 121 V 8.96 4.79 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 0.94 0.00 0.00 122 A 8.90 5.15 1.26 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 0.00 0.00 123 A 8.67 4.77 1.08 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 0.00 124 L 8.45 4.55 0.00 1.14 1.55 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.98 4.50 0.00 2.86 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 0.00 126 G 7.73 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 0.00 127 T 8.31 4.23 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 0.56 0.00 0.00 128 F 8.94 4.88 0.00 3.34 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 0.00 129 Q 7.51 4.21 0.00 1.61 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.36 0.00 0.00 0.00 0.00 0.00 1.77 1.16 0.00 130 R 7.57 3.91 0.00 1.63 1.70 0.00 2.21 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.67 0.00 131 K 6.85 4.54 0.00 1.70 1.58 0.00 1.49 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.24 7.81 132 P 0.00 4.41 0.00 2.02 2.02 0.00 3.61 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 2.01 2.08 0.00 133 F 8.80 4.37 0.00 2.99 2.69 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 0.00 134 G 8.41 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.37 4.54 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 0.00 136 I 7.48 3.70 1.99 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 1.47 1.53 0.92 0.00 0.00 137 L 7.88 4.14 0.00 1.73 1.70 0.92 0.73 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 0.00 138 N 7.96 4.53 0.00 2.86 2.89 0.00 0.00 7.02 7.97 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 0.00 139 L 7.95 4.15 0.00 1.93 1.71 0.92 0.76 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 0.00 140 V 7.56 3.58 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.92 0.00 0.00 141 P 0.00 4.44 0.00 2.06 2.09 0.00 3.85 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 2.17 0.00 142 L 7.77 4.39 0.00 1.74 1.83 0.96 0.63 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 0.00 143 A 7.09 4.69 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 0.00 144 E 8.50 4.36 0.00 2.00 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 0.00 2.43 2.39 0.00 145 S 7.77 4.62 0.00 3.87 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 0.00 146 V 8.44 5.02 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 0.88 0.00 0.00 0.92 0.00 0.00 147 V 8.81 4.58 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 0.74 0.00 0.00 0.92 0.00 0.00 148 K 8.52 4.85 0.00 1.72 1.69 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.67 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.24 1.38 7.81 149 L 9.09 4.49 0.00 1.51 1.58 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 150 T 8.34 4.71 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 1.25 0.00 0.00 151 A 8.71 4.84 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 0.00 152 V 8.13 4.56 2.15 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 0.94 0.00 0.00 0.98 0.00 0.00 153 C 9.39 4.43 0.00 3.01 2.96 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 0.00 154 M 8.99 4.33 0.00 1.73 1.86 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.35 0.00 155 E 7.72 4.26 0.00 1.81 1.84 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 2.16 2.19 0.00 156 C 6.99 4.39 0.00 2.99 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 0.00 157 F 7.48 4.36 0.00 3.28 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 0.00 158 R 7.17 4.54 0.00 1.80 1.91 0.00 3.16 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 159 E 8.79 4.51 0.00 1.85 1.88 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 2.33 2.33 0.00 160 A 9.37 4.90 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 0.00 161 A 8.40 4.30 0.40 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 0.00 162 Y 7.75 4.95 0.00 2.97 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 0.00 163 T 8.61 5.17 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 164 K 9.54 4.82 0.00 1.88 1.96 0.00 1.43 0.00 0.00 1.37 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.36 7.81 165 R 8.81 4.44 0.00 1.86 1.79 0.00 2.50 0.00 0.00 2.80 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.17 0.00 166 L 8.67 4.01 0.00 1.40 1.59 0.74 0.75 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 0.00 167 G 7.78 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 168 T 8.11 4.43 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 1.18 0.00 0.00 169 E 7.85 4.02 0.00 2.25 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 2.12 2.13 0.00 170 K 8.05 4.47 0.00 1.73 1.96 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.36 7.81 171 E 7.93 4.21 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 172 V 8.47 3.75 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 0.40 0.00 0.00 0.91 0.00 0.00 173 E 8.14 4.43 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 174 V 8.23 4.34 2.15 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 0.93 0.00 0.00 0.95 0.00 0.00 175 I 8.56 4.05 1.88 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.53 0.94 0.00 0.00 176 G 7.79 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 0.00 0.00 0.00 0.00 177 G 8.06 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 A 9.35 4.77 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 0.00 179 D 8.29 4.54 0.00 2.81 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 0.00 180 K 8.37 4.41 0.00 1.37 1.36 0.00 1.47 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.53 7.81 181 Y 8.01 5.46 0.00 3.22 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 0.00 182 H 9.43 5.45 0.00 3.09 3.19 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 0.00 183 S 8.95 5.16 0.00 4.06 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 V 8.97 4.90 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 1.00 0.00 0.00 185 C 8.68 4.81 0.00 3.21 3.32 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 0.00 186 R 8.94 4.02 0.00 2.10 2.18 0.00 3.36 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 187 L 8.01 4.31 0.00 1.81 1.78 0.97 1.03 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 0.00 188 C 8.16 4.23 0.00 3.02 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 Y 8.24 3.90 0.00 3.15 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 0.00 190 F 7.65 4.75 0.00 3.12 3.02 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 0.00 191 K 7.54 4.16 0.00 1.88 1.70 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.16 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.