NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0969 8.0093 114.2505 60.4576 39.7210 175.4463 4 Y 4.4159 7.6175 119.5393 54.1520 38.7182 173.6063 5 T 4.2051 9.3846 115.5725 60.7518 70.9614 176.9202 6 K 4.0620 8.3370 120.0606 56.8307 29.7195 177.2584 7 N 4.3643 8.0670 117.0439 55.6984 38.7375 176.1500 8 G 4.4681 7.9669 105.4296 45.1850 0.0000 174.9919 9 D 4.4110 7.7531 120.0251 56.3806 40.8774 177.2979 10 K 4.3409 8.1591 116.7320 56.0176 32.3724 177.1090 11 G 3.9941 8.5375 108.3698 45.1344 0.0000 173.2567 12 Q 4.9102 7.3138 118.0096 54.8423 32.2434 173.8943 13 T 4.7071 8.4761 114.2812 61.9894 71.5506 172.0119 14 R 5.1072 8.4687 122.7799 54.4932 32.9071 175.0303 15 I 4.5043 7.4662 113.1515 58.6371 40.9976 175.9790 16 I 3.3731 8.1196 121.1797 63.7453 36.1436 176.4273 *19 Q 4.2333 7.6963 121.4659 55.4870 30.4000 177.8387 20 I 4.5074 8.1131 116.8312 62.2708 38.0090 175.9773 21 L 4.9453 9.0322 126.0254 52.7648 46.0548 175.6704 22 Y 4.5029 8.5456 118.3027 57.8113 38.6303 177.4508 23 K 4.0537 9.1267 122.9287 59.1808 32.3019 177.8729 24 N 4.6747 8.1483 113.8628 52.8354 37.9723 175.2774 25 D 4.4536 8.1360 120.3304 54.0763 42.8128 175.0123 26 P 4.2271 0.0000 0.0000 66.0974 31.0395 178.7775 27 R 3.9021 8.2464 118.4672 59.2561 30.0174 178.5824 28 V 3.6633 7.8012 117.4582 65.9261 31.5332 177.7558 29 A 4.0699 8.4589 120.6899 55.0692 18.3462 179.4820 30 A 3.9555 8.3853 119.6371 55.2432 18.3804 179.3449 31 Y 4.1257 8.2085 118.2565 60.9473 39.0115 178.2015 32 G 3.6371 8.6212 107.0874 47.9595 0.0000 175.4197 33 E 3.9932 8.4252 120.9432 59.1236 29.4003 179.6201 34 V 3.5933 7.6203 117.8133 66.0293 31.6222 177.7231 35 N 4.2220 8.0372 116.2849 56.3928 38.1296 176.9686 36 E 3.9847 8.4181 119.9441 58.9537 29.9661 178.2901 37 L 4.1679 8.1099 120.5058 58.1675 42.1226 178.1608 38 N 4.3509 8.5488 117.2249 57.3188 38.7875 176.6867 39 S 4.1494 8.1461 116.3627 61.7380 62.9796 176.9454 40 W 4.1142 8.4090 130.7790 60.2093 30.3615 178.3293 41 V 3.7148 8.0048 118.1544 65.7393 30.8788 177.8584 42 G 3.7178 8.3927 105.8745 48.2464 0.0000 175.0061 43 Y 3.8284 7.6956 120.9236 60.2761 38.9774 177.5721 44 T 3.6410 7.8416 117.0460 66.4585 68.5995 176.4457 45 K 3.9454 8.2801 122.0347 59.3782 31.9690 178.7434 46 S 4.1619 7.3741 113.1650 60.4289 62.9677 175.4961 47 L 4.0972 7.1585 121.0561 54.4066 41.9283 177.0112 48 I 3.7816 7.0134 121.1609 61.1299 37.7274 175.0847 49 N 5.0804 8.5150 122.4428 50.4674 39.9179 175.2861 50 S 4.1390 8.6270 111.8016 61.9032 63.0304 175.3556 51 H 4.1632 8.0780 117.6191 58.1746 28.6578 176.1858 52 T 4.4093 7.9212 107.0315 61.0181 69.3875 175.6543 53 Q 3.9854 8.1050 124.9373 59.6483 28.9963 178.8693 54 V 3.8646 7.8364 109.5198 63.4799 31.7979 176.6136 55 L 4.5529 8.0823 119.1464 55.6796 42.6331 178.6012 56 S 4.1287 8.1735 113.8229 61.6291 62.3227 175.7047 57 N 4.5811 8.2341 119.3044 56.6513 38.7726 176.4401 58 E 4.5123 8.3818 118.4458 59.1091 30.0271 178.9863 59 L 4.1961 8.0276 120.4861 57.7336 41.7740 179.0826 60 E 4.0620 8.3898 117.7314 59.2497 29.3443 178.8509 61 E 3.8353 8.2938 119.9782 59.2309 29.7655 178.5076 62 I 3.9514 8.1728 120.0396 64.9473 37.2468 178.2202 63 Q 4.1468 8.1865 118.1591 59.0982 28.5436 178.9072 64 Q 4.0614 8.0713 118.8300 59.1955 28.8481 179.0233 65 L 4.0444 8.3018 120.1534 57.9015 41.5202 179.7080 66 L 4.0802 8.5640 119.4027 57.4515 41.5494 179.2081 67 F 4.1092 8.4643 120.8313 61.5207 39.3541 176.9733 68 D 4.3933 8.1105 118.0491 57.4230 40.5890 178.4037 69 C 3.9027 8.0037 117.3963 62.6691 28.1692 176.2504 70 G 3.6888 8.1425 107.2733 48.1919 0.0000 174.6788 71 H 3.9931 7.7100 119.7186 59.2927 30.1345 176.5642 72 D 4.8138 8.3972 120.2784 57.5275 40.4234 178.8992 73 L 4.1158 7.9398 118.4529 57.2218 41.9525 178.4132 74 A 4.3182 7.8651 118.8106 51.6850 18.3901 176.5265 75 T 4.5528 7.3177 115.3142 61.1323 69.1018 173.0708 76 P 4.2060 0.0000 0.0000 66.1552 31.5026 179.1135 *81 R 4.2729 7.7127 113.3530 55.7647 31.4802 177.0499 82 H 4.7358 7.9485 111.5447 54.9665 30.8131 172.4543 83 S 4.5073 8.2347 118.2109 55.5057 65.6385 173.7927 84 F 4.8394 8.3535 122.1096 58.4057 38.8794 176.5394 85 K 4.3023 9.6400 127.4281 55.1157 32.4800 173.1907 86 F 4.5538 9.1740 120.3299 57.3946 39.7221 174.7837 87 K 4.4938 7.7193 127.4451 54.5661 34.3928 176.6897 88 Q 3.9860 8.9455 123.7181 57.9402 29.1501 178.5721 89 E 3.9538 7.9629 120.8616 61.3055 29.7511 184.2327 90 Q 4.1631 7.7973 117.9288 58.7040 28.8936 176.4471 91 P 4.3455 0.0000 0.0000 65.5996 31.3876 178.7445 92 T 4.3076 8.4164 117.0051 67.1876 68.4242 177.9474 *93 V 3.6591 7.9273 121.5605 65.8686 31.4834 180.3165 94 W 4.4233 8.5312 129.2240 60.3579 30.5189 178.1397 95 L 3.6494 8.1607 119.0293 57.6001 40.9277 179.3011 96 E 3.9538 8.3260 118.6195 59.4211 29.3445 179.2647 97 E 3.8555 8.1078 118.6104 59.1983 29.5045 179.6325 98 K 3.1791 7.3296 118.5436 59.0643 32.0304 179.2220 99 I 3.5483 7.7912 120.4667 64.5724 36.9726 178.1283 100 D 4.2265 8.1286 119.4452 57.4323 40.8142 178.3607 101 N 4.1917 7.9667 116.8802 56.7604 38.1371 177.1046 102 Y 4.0035 8.0102 118.0408 61.3663 37.6765 178.6776 103 T 3.9982 8.3576 118.3262 67.4716 68.6148 177.0435 104 Q 4.1193 8.1819 121.9390 59.8753 28.2256 180.1111 105 V 3.9250 7.4307 117.4993 63.7500 31.8918 176.6213 106 V 3.8485 6.3517 109.9821 59.1871 32.6986 174.1387 107 P 4.2850 0.0000 0.0000 62.4176 31.7213 176.4372 108 A 4.0792 8.6806 128.1373 52.8341 18.7991 177.9714 109 V 4.4613 8.4649 122.6326 60.5883 35.8064 173.1231 110 K 4.2181 8.9633 123.0086 53.5552 27.5915 180.3422 111 K 4.4630 8.5341 119.2842 55.1470 34.8547 175.1822 112 F 4.5887 8.0950 117.8489 58.1390 39.9929 174.9009 113 I 4.7480 8.6462 123.8281 60.5912 37.9812 175.4034 114 L 4.7007 8.5921 127.6788 52.7059 43.0913 175.0894 115 P 3.7466 0.0000 0.0000 61.2968 31.7684 176.7163 116 G 4.3597 9.0707 109.9636 44.0369 0.0000 170.9600 117 G 4.0859 7.9659 108.9665 44.3046 0.0000 177.2945 118 T 4.0877 9.3425 118.4424 60.8747 70.4447 174.5387 119 Q 3.9675 8.5425 121.9672 59.3976 28.9390 178.3088 120 L 3.9069 7.8796 120.3931 58.0987 42.2357 178.2891 121 A 3.9846 7.8892 120.6552 55.5903 18.1502 179.8241 122 S 4.1651 8.2530 113.1272 61.7180 62.9294 176.8409 123 A 4.4776 8.2613 123.4903 55.3913 18.1793 179.7452 124 L 4.1613 8.3996 117.7703 58.1883 41.2565 179.4981 125 H 4.3007 8.4973 116.4305 58.7578 28.6460 177.9520 126 V 3.4326 8.1943 120.0599 65.8623 31.3117 177.9260 127 A 3.8362 8.5834 120.8677 54.8782 18.0422 179.6097 128 R 4.0530 7.8924 117.5977 59.9454 30.2632 178.9286 129 T 3.9813 7.6186 109.1147 64.6726 68.7947 176.8723 130 I 3.6662 7.7096 122.7417 64.2875 36.9855 178.3310 131 T 3.9225 7.9903 116.6639 66.9603 68.4015 176.8407 132 R 4.0002 8.0501 119.5678 58.7337 29.6833 179.1288 133 R 3.8479 8.0369 118.8189 59.2655 30.0518 178.3708 134 A 3.9913 8.2735 120.9047 54.9678 18.3037 178.9471 135 E 3.8753 8.5164 118.2685 59.8177 29.5901 179.3885 136 R 3.8995 7.9287 117.7099 59.3466 30.2170 178.7917 137 Q 3.9991 7.8077 118.8338 58.7906 28.9774 178.0944 138 I 3.7521 8.1221 121.6716 64.2428 37.1062 178.5009 139 V 3.5633 8.0469 119.3091 65.9565 31.1335 177.6070 140 Q 3.9627 8.0788 118.5690 59.3101 29.0718 178.1763 141 L 4.1147 7.8980 120.8187 58.2272 41.8240 178.3439 142 M 4.1227 8.2599 118.7739 58.8791 32.2328 177.6583 143 R 4.4013 7.9033 114.0150 56.9352 29.9784 176.7606 144 E 4.6781 8.2582 116.3250 56.0683 32.0424 175.4391 145 E 4.6972 7.7703 118.0621 54.9046 33.7592 175.5366 146 Q 4.1669 8.7122 120.0003 55.0302 28.3706 176.8076 147 I 4.5284 8.0395 116.1873 57.4578 40.6119 174.8462 148 N 3.9139 7.7949 118.7711 52.8414 37.9733 175.4163 149 Q 4.1672 8.4360 125.9285 58.2365 28.8788 178.0685 150 D 4.4983 8.2850 120.6380 57.0567 40.7367 178.8113 151 V 3.5499 7.8382 119.1230 65.8911 31.5548 177.8610 152 L 3.9987 7.9046 119.6431 58.0451 41.9902 178.6626 153 I 3.7353 7.6998 119.4101 64.4100 37.0763 177.9565 154 F 4.3388 8.2581 120.7215 61.7724 39.0837 177.3094 155 I 3.6607 7.8672 117.7687 64.0623 36.6642 177.8270 156 N 4.5244 8.3288 118.1433 56.8337 38.8280 177.0942 157 R 3.6432 8.0844 119.8715 58.9529 30.0939 178.1321 158 L 3.5946 7.9242 121.2719 57.9191 42.0078 179.0945 159 S 4.4807 7.7460 114.0326 61.5347 63.0458 176.1797 160 D 4.4154 8.0997 122.0855 57.1711 40.6164 177.6834 161 Y 3.9748 8.1128 120.3091 60.9951 38.6449 178.5611 162 F 4.4263 8.2023 118.3944 60.1990 39.0306 177.5251 163 F 4.0458 8.5085 120.2568 61.2070 39.2785 176.7556 164 A 3.9275 8.1881 120.1116 55.4338 18.1194 179.5486 165 A 3.7293 8.1692 119.1040 54.9287 18.3753 179.7305 166 A 3.8317 8.0627 119.5547 55.4008 18.3931 180.1082 167 R 3.9992 7.4918 117.6757 58.9226 30.0076 178.6764 168 Y 4.0611 7.9305 119.1180 60.7005 38.4148 177.9934 169 A 3.7832 8.5312 122.0576 55.0213 18.3870 179.4806 170 N 4.3436 7.9689 115.1148 56.5422 38.6702 176.8857 171 Y 4.0303 8.1231 121.0252 60.8152 38.6549 178.1145 172 L 3.7698 7.8261 118.9150 56.8124 41.5920 177.9220 173 E 4.3419 7.0905 116.2877 55.2602 29.9496 175.7623 174 Q 3.1872 7.4393 115.7927 57.0108 26.8193 173.9933 175 Q 4.4643 8.2459 118.6049 53.3080 30.2827 173.1723 176 P 4.4303 0.0000 0.0000 62.2567 32.1221 175.9540 177 D 4.3887 8.6526 120.6594 54.8453 41.5755 175.5999 178 M 4.2909 8.6620 123.3577 55.8745 33.2448 174.8138 179 L 5.3809 8.3726 124.8153 52.7642 45.4919 175.5123 180 Y 4.3282 9.1018 126.3219 58.1948 39.1983 176.5943 181 R 3.9759 8.0909 124.3506 56.3052 29.6575 172.6507 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 3 I 8.01 4.10 1.93 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 1.57 1.31 0.94 0.00 0.00 4 Y 7.62 4.42 0.00 3.18 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 5 T 9.38 4.21 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 1.20 0.00 0.00 6 K 8.34 4.06 0.00 2.08 2.05 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.51 1.65 7.81 7 N 8.07 4.36 0.00 2.72 2.87 0.00 0.00 6.82 8.29 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 8 G 7.97 4.47 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 0.00 0.00 0.00 9 D 7.75 4.41 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.16 4.34 0.00 1.72 1.83 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.42 7.81 11 G 8.54 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.31 4.91 0.00 1.82 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 1.31 1.78 0.00 13 T 8.48 4.71 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 14 R 8.47 5.11 0.00 1.66 1.76 0.00 3.33 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 15 I 7.47 4.50 1.94 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 1.33 0.58 0.79 0.00 0.00 16 I 8.12 3.37 1.76 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 1.01 0.49 0.52 0.00 0.00 *19 Q 7.70 4.23 0.00 1.77 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 7.03 0.00 0.00 0.00 0.00 0.00 2.26 1.97 0.00 20 I 8.11 4.51 1.81 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 1.34 0.98 0.78 0.00 0.00 21 L 9.03 4.95 0.00 1.49 1.54 0.97 0.73 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 22 Y 8.55 4.50 0.00 2.92 3.03 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 23 K 9.13 4.05 0.00 1.88 1.93 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.52 1.41 7.81 24 N 8.15 4.67 0.00 2.84 2.95 0.00 0.00 5.97 8.06 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 25 D 8.14 4.45 0.00 2.98 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 26 P 0.00 4.23 0.00 2.32 2.33 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.29 0.00 27 R 8.25 3.90 0.00 1.96 2.13 0.00 3.06 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 28 V 7.80 3.66 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 1.15 0.00 0.00 0.94 0.00 0.00 29 A 8.46 4.07 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 30 A 8.39 3.96 1.46 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 31 Y 8.21 4.13 0.00 3.16 3.26 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 32 G 8.62 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 33 E 8.43 3.99 0.00 2.13 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 2.59 2.43 0.00 34 V 7.62 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 1.10 0.00 0.00 0.97 0.00 0.00 35 N 8.04 4.22 0.00 2.75 2.74 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 36 E 8.42 3.98 0.00 1.91 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 2.35 2.35 0.00 37 L 8.11 4.17 0.00 1.86 1.94 1.00 0.57 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 38 N 8.55 4.35 0.00 3.03 2.99 0.00 0.00 7.26 8.00 0.00 0.00 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 S 8.15 4.15 0.00 4.17 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 40 W 8.41 4.11 0.00 3.51 3.22 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 0.00 41 V 8.00 3.71 2.36 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 1.32 0.00 0.00 1.21 0.00 0.00 42 G 8.39 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 43 Y 7.70 3.83 0.00 2.65 2.31 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 44 T 7.84 3.64 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 1.23 0.00 0.00 45 K 8.28 3.95 0.00 1.95 1.91 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 46 S 7.37 4.16 0.00 3.88 3.81 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 47 L 7.16 4.10 0.00 1.64 1.61 0.78 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.01 3.78 1.98 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 1.34 0.44 0.97 0.00 0.00 49 N 8.51 5.08 0.00 2.92 2.92 0.00 0.00 6.44 7.20 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 50 S 8.63 4.14 0.00 3.95 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 51 H 8.08 4.16 0.00 3.29 3.34 0.00 5.81 0.00 0.00 0.00 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0.00 2.97 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 69 C 8.00 3.90 0.00 3.02 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 70 G 8.14 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 71 H 7.71 3.99 0.00 3.05 3.53 0.00 5.96 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 D 8.40 4.81 0.00 2.97 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 73 L 7.94 4.12 0.00 2.03 1.85 0.92 0.92 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 74 A 7.87 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.32 4.55 4.62 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 1.08 0.00 0.00 76 P 0.00 4.21 0.00 2.01 2.09 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 *81 R 7.71 4.27 0.00 1.85 1.89 0.00 3.21 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 82 H 7.95 4.74 0.00 3.02 3.14 0.00 5.62 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.23 4.51 0.00 3.84 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 84 F 8.35 4.84 0.00 3.13 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 85 K 9.64 4.30 0.00 1.72 1.71 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.33 1.23 7.81 86 F 9.17 4.55 0.00 2.85 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 87 K 7.72 4.49 0.00 1.74 1.46 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 0.95 7.81 88 Q 8.95 3.99 0.00 2.42 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.78 0.00 0.00 0.00 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0.00 1.98 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 2.22 0.00 98 K 7.33 3.18 0.00 1.37 1.07 0.00 0.61 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.76 0.87 7.81 99 I 7.79 3.55 1.94 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 1.50 0.66 0.90 0.00 0.00 100 D 8.13 4.23 0.00 2.70 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 0.00 101 N 7.97 4.19 0.00 2.36 2.74 0.00 0.00 7.13 7.04 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 0.00 102 Y 8.01 4.00 0.00 2.70 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.36 4.00 4.33 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 1.24 0.00 0.00 104 Q 8.18 4.12 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 105 V 7.43 3.93 1.84 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.44 0.67 0.95 0.00 0.00 114 L 8.59 4.70 0.00 1.60 1.63 1.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 3.75 0.00 2.14 2.00 0.00 3.86 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 1.97 1.95 0.00 116 G 9.07 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 0.00 0.00 0.00 0.00 117 G 7.97 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 0.00 118 T 9.34 4.09 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 1.15 0.00 0.00 119 Q 8.54 3.97 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 120 L 7.88 3.91 0.00 1.76 1.62 0.89 1.03 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 0.00 121 A 7.89 3.98 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 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0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 0.87 0.00 0.00 131 T 7.99 3.92 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 132 R 8.05 4.00 0.00 1.88 1.97 0.00 3.20 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 133 R 8.04 3.85 0.00 1.85 2.10 0.00 3.06 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 134 A 8.27 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.52 3.88 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 136 R 7.93 3.90 0.00 2.09 1.96 0.00 3.16 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 137 Q 7.81 4.00 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 138 I 8.12 3.75 1.99 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 1.42 0.67 0.92 0.00 0.00 139 V 8.05 3.56 2.22 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 1.00 0.00 0.00 1.00 0.00 0.00 140 Q 8.08 3.96 0.00 2.06 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 141 L 7.90 4.11 0.00 1.86 1.86 0.97 0.68 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 0.00 142 M 8.26 4.12 0.00 2.23 2.07 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 2.54 0.00 143 R 7.90 4.40 0.00 1.87 1.95 0.00 3.16 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 144 E 8.26 4.68 0.00 2.05 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 2.24 2.25 0.00 145 E 7.77 4.70 0.00 1.93 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 2.26 2.41 0.00 146 Q 8.71 4.17 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 147 I 8.04 4.53 1.83 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 1.30 1.10 0.94 0.00 0.00 148 N 7.79 3.91 0.00 1.44 2.17 0.00 0.00 6.88 6.78 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 0.00 149 Q 8.44 4.17 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 150 D 8.28 4.50 0.00 3.09 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 0.00 151 V 7.84 3.55 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 0.92 0.00 0.00 0.81 0.00 0.00 152 L 7.90 4.00 0.00 1.81 1.82 0.94 1.08 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 0.00 153 I 7.70 3.74 2.14 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.83 1.01 0.00 0.00 154 F 8.26 4.34 0.00 3.42 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 0.00 155 I 7.87 3.66 1.91 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 1.73 0.96 0.94 0.00 0.00 156 N 8.33 4.52 0.00 3.03 2.99 0.00 0.00 6.75 7.27 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 0.00 157 R 8.08 3.64 0.00 2.10 1.92 0.00 3.20 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 158 L 7.92 3.59 0.00 1.36 1.65 0.31 0.72 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 0.00 159 S 7.75 4.48 0.00 4.16 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 0.00 160 D 8.10 4.42 0.00 2.87 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 0.00 161 Y 8.11 3.97 0.00 2.85 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 0.00 162 F 8.20 4.43 0.00 3.38 3.25 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 0.00 163 F 8.51 4.05 0.00 3.17 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 0.00 164 A 8.19 3.93 1.42 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 0.00 0.00 0.00 165 A 8.17 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.06 3.83 1.11 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 0.00 167 R 7.49 4.00 0.00 1.89 1.88 0.00 2.61 0.00 0.00 2.96 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.96 0.00 168 Y 7.93 4.06 0.00 2.71 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 0.00 169 A 8.53 3.78 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 0.00 170 N 7.97 4.34 0.00 2.94 3.11 0.00 0.00 6.55 7.45 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 0.00 171 Y 8.12 4.03 0.00 3.02 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 0.00 172 L 7.83 3.77 0.00 1.55 1.54 0.58 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 173 E 7.09 4.34 0.00 1.89 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 2.01 2.09 0.00 174 Q 7.44 3.19 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 175 Q 8.25 4.46 0.00 1.86 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 176 P 0.00 4.43 0.00 2.22 2.04 0.00 3.82 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 177 D 8.65 4.39 0.00 2.74 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 M 8.66 4.29 0.00 2.27 1.95 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 2.68 2.61 0.00 179 L 8.37 5.38 0.00 1.57 1.60 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 180 Y 9.10 4.33 0.00 3.07 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 R 8.09 3.98 0.00 1.87 1.67 0.00 3.35 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.