NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4884 8.1933 115.4133 57.8061 64.4590 174.5085 5 E 3.8682 8.6846 119.9670 58.4969 29.5874 177.2007 6 L 3.9281 8.7870 120.7885 58.1415 43.5043 177.5866 7 E 4.0191 8.0342 118.0822 59.4886 29.6654 179.2315 8 K 3.9061 7.9545 116.7535 57.9541 32.7513 178.2270 *10 L 4.2746 7.8448 120.2431 54.3218 43.2613 177.7642 11 K 4.2782 8.1510 115.1308 55.9011 32.2670 177.1001 12 G 4.0607 8.2921 106.6042 45.1755 0.0000 173.3199 13 E 4.5632 7.7729 118.8488 54.3540 31.4213 175.6111 14 H 4.4950 8.3897 117.1823 56.1398 29.2505 174.9105 15 F 5.0894 7.2359 115.3799 55.2753 41.0017 173.9774 16 D 4.6268 10.0350 122.6323 53.3368 40.3579 178.0168 17 G 3.7865 8.9288 114.5312 48.2536 0.0000 173.2193 18 A 4.6140 7.9243 120.0286 51.6012 19.4749 177.5884 19 S 4.2392 7.8431 113.2745 59.0948 64.6610 174.9827 20 A 4.2446 8.7045 127.5535 54.7864 18.0267 179.7355 21 E 3.8429 8.1204 116.7748 59.5120 29.8287 178.6663 22 I 3.6858 7.4101 118.9848 64.5903 36.7860 178.3413 23 E 4.0827 8.3247 117.8110 59.3827 29.3267 178.9998 24 A 4.0682 8.0611 122.0108 54.8604 18.3645 179.3886 25 L 3.9892 8.0289 119.0441 58.2900 42.2899 179.0694 26 R 4.1226 8.3599 120.1304 58.9113 29.9348 178.7541 27 S 4.0825 8.4314 115.2366 61.5014 62.8773 176.2411 28 Q 3.8944 7.9907 121.7130 59.3827 28.8504 178.3441 29 A 4.0800 8.2675 121.7849 55.0919 18.1842 179.8816 30 G 3.5231 7.9634 104.3210 47.7158 0.0000 176.1028 31 R 3.9026 7.9718 121.1063 59.1848 30.0434 178.7015 32 L 3.9317 8.0081 118.7888 57.6230 41.6096 179.3302 33 K 3.8226 7.9619 118.5034 59.6971 32.0839 179.0374 34 L 4.0506 7.6782 120.3504 58.1735 41.7339 178.8828 35 E 4.1092 7.6632 117.9613 59.1210 29.8006 179.1090 36 I 3.8637 7.9987 120.1875 64.4868 37.1157 178.1160 37 N 4.5414 8.4951 115.2587 55.1928 38.4605 175.7378 38 Q 4.5458 7.4770 114.0205 55.3270 29.8156 175.4157 39 S 4.4400 7.7032 113.4945 57.8808 63.0341 173.6301 40 L 4.5642 8.4185 125.8251 54.5351 41.9747 176.3672 41 D 4.7573 8.1630 119.2858 51.9971 42.9067 175.6073 42 E 3.9667 8.7455 127.5986 59.5732 29.5324 179.2218 43 A 4.0164 7.9134 120.2211 54.9240 18.5704 178.9567 44 E 3.9790 8.0546 116.3563 58.7265 29.6493 178.8445 45 R 3.8567 8.6499 119.5211 59.3320 30.1475 177.6837 46 Y 4.0952 8.3300 119.3561 60.7904 38.6009 177.8238 47 A 3.9481 8.0568 120.2379 55.3040 18.7483 179.3194 48 L 4.0009 7.9606 117.1822 58.1190 41.7836 179.8550 49 Q 3.6808 8.0669 117.6946 58.3858 28.3013 178.7487 50 R 3.9730 7.2117 117.8876 58.4223 30.1855 178.0534 51 E 4.1446 7.8215 117.5961 58.1457 29.9606 177.8935 52 L 3.8855 7.3827 120.7350 57.4800 42.4390 176.7702 53 F 5.3175 7.4093 115.4831 56.0031 40.4096 176.1723 54 G 3.7901 8.7809 110.1239 49.2487 0.0000 174.0124 55 H 4.8877 7.8965 118.4081 54.7846 33.5070 172.2526 56 L 4.7556 8.2290 127.1167 53.1680 44.3739 176.3016 57 G 4.0784 8.2712 113.4308 44.5054 0.0000 172.6974 58 H 4.1889 8.7192 116.5338 56.6645 29.3726 176.5517 59 K 3.9337 8.6564 122.3050 57.9313 29.3679 174.9113 60 S 5.0950 8.1035 112.3490 57.0438 66.1358 173.9640 61 C 4.9318 9.1290 119.5603 57.9856 32.2309 173.2509 62 V 4.5023 8.3188 122.4995 61.0504 33.0742 174.8007 63 Q 4.4314 8.5288 128.3567 54.7171 29.3507 174.7174 64 P 4.6561 0.0000 0.0000 61.6878 32.6354 173.9716 65 P 4.8192 0.0000 0.0000 62.5890 32.9983 174.4699 66 F 4.9527 9.1122 124.2336 56.7375 42.3310 173.8602 67 H 4.9693 8.2642 122.4349 54.1893 31.8195 172.7371 68 C 4.9226 8.3790 116.7966 57.5704 32.2703 172.4307 69 E 4.2223 9.0830 116.8053 56.8505 30.9250 177.5537 70 F 4.5862 8.6661 114.6782 56.3835 41.4598 175.2222 71 G 4.6871 9.2425 113.0667 46.9062 0.0000 175.6921 72 K 4.2472 7.8004 119.0283 58.3086 32.5174 179.2056 73 T 4.1746 8.0434 115.4656 65.7230 69.8139 174.2794 74 I 4.5901 8.5239 123.5326 60.1145 39.2179 175.1645 75 R 4.9604 8.9535 125.6101 54.4393 33.3610 174.5219 76 I 4.6691 9.0494 125.8745 59.4780 40.0143 176.7179 77 G 4.3521 8.2931 113.9347 45.4554 0.0000 172.3008 78 D 4.8708 9.9140 120.5088 53.9471 42.8273 176.3944 79 H 4.4171 8.3673 115.1263 56.5200 27.2045 174.5661 80 T 5.0152 8.2531 114.2836 61.7123 72.3109 174.0967 81 F 5.2458 9.5386 127.1121 56.4610 42.9780 173.6660 82 I 4.7994 7.7938 126.0335 58.1887 40.4340 174.3672 83 N 4.7639 9.4462 133.1163 52.6582 40.2196 175.4199 *85 N 4.8986 8.7781 112.0911 53.1952 40.4647 172.2660 86 V 4.3370 7.9510 116.2954 62.3283 33.5558 174.6755 87 V 5.3719 8.5781 125.7352 59.9411 35.8105 173.9283 *89 L 4.5766 8.2982 120.0827 54.3463 42.7728 177.5286 90 D 4.9460 8.5771 126.7145 52.5346 40.1664 178.3581 91 G 3.6136 8.7355 110.9199 49.0476 0.0000 174.0880 92 A 4.7538 7.4618 119.5183 48.8654 21.9502 175.1365 93 P 4.4804 0.0000 0.0000 63.2004 32.6670 175.5917 94 I 4.9246 8.3444 125.1439 59.8952 39.7871 174.6098 95 T 4.9265 8.8986 124.2064 61.7527 71.3776 173.2197 96 I 4.8073 8.8662 127.7880 59.5122 40.3749 176.6629 97 G 4.1629 8.8891 115.2933 46.1785 0.0000 172.0701 98 D 4.9102 9.4584 119.7271 54.0205 43.4033 176.6849 99 H 4.6030 8.6100 115.4846 56.1705 27.2135 174.5049 100 V 4.6284 8.2595 119.0979 62.0471 33.3961 174.5215 101 L 5.4349 9.1655 127.0204 53.1159 44.7904 175.3361 102 I 5.0699 9.0548 125.3257 59.3457 40.3238 176.0306 103 G 4.2974 9.3486 115.0130 44.8842 0.0000 171.1643 104 P 4.5127 0.0000 0.0000 63.9242 31.7736 177.1686 105 S 4.8751 8.7767 113.8563 59.1238 61.7460 171.7677 106 T 4.3191 7.3977 116.0258 64.4020 69.6819 173.3905 107 Q 5.0640 9.1852 123.1470 54.2151 32.0995 174.3131 108 F 4.9797 9.5812 123.6035 56.1114 40.7176 175.4309 109 Y 5.0917 8.8979 122.7954 56.4860 38.6643 175.7156 110 T 4.4097 9.2061 114.3250 62.6761 70.2807 174.1515 111 A 5.1826 7.9599 124.3019 51.0517 20.9468 175.9995 112 S 4.5248 8.9670 114.8452 57.5586 67.0010 171.6900 113 H 5.3716 8.3837 118.3338 53.7903 32.6592 173.1514 114 S 4.5525 8.5878 113.3364 57.5791 63.0225 174.1807 115 L 4.1045 8.4054 125.5633 56.9572 41.9007 176.7668 116 D 4.6697 8.3523 120.3939 53.1331 41.7787 176.6325 117 Y 4.1803 8.6836 125.9399 60.1924 37.8802 178.1797 118 R 3.6316 6.8511 118.5823 58.4404 30.0152 177.8024 119 R 4.5081 7.5827 115.9866 55.8369 30.5375 176.9180 120 R 4.6913 7.9609 116.5101 55.8235 31.9744 177.1594 121 Q 4.2184 8.2252 116.0197 57.5122 29.0654 176.2431 122 A 4.4390 8.3091 121.2258 51.5441 19.3344 176.7504 123 W 4.2903 8.0963 116.1116 58.6629 27.5033 175.0076 124 E 3.7847 7.4135 116.0606 57.5401 29.3512 177.0750 125 T 5.0611 7.9515 118.4319 62.0680 72.7133 173.1381 126 I 4.8117 8.8131 126.1331 59.7819 40.3792 174.2590 127 C 5.4983 8.8134 122.6592 58.1009 31.2180 172.9803 128 K 4.9201 8.9653 122.5865 53.6130 35.1716 174.6582 129 P 4.6842 0.0000 0.0000 63.0833 33.0405 174.8372 130 I 4.9726 8.7286 121.6669 59.5780 40.3559 174.6417 131 V 4.8012 8.7418 126.4248 61.1179 34.3065 174.0764 132 I 4.7422 9.2165 129.3779 59.5293 39.4144 175.5749 133 E 4.6141 8.7150 127.3853 55.5021 30.8447 176.5808 134 D 4.5767 8.6166 119.9089 55.4426 42.4700 176.8517 135 D 4.9116 9.0957 119.1614 54.9735 39.1434 173.5220 136 V 4.5465 7.6452 118.6166 61.9821 33.5730 174.2736 137 W 5.3951 9.1697 135.0000 55.9420 32.8805 174.1491 138 I 4.5919 9.4384 129.1468 59.4546 39.1227 176.5770 139 G 3.9114 8.2730 115.4370 45.6210 0.0000 172.9357 140 G 4.0142 8.6722 106.1621 45.4781 0.0000 173.2457 141 N 4.2434 8.7561 116.9434 54.2972 38.3476 173.7262 142 V 4.5009 7.4883 114.5082 61.3582 34.0692 174.1942 143 V 4.3236 8.4706 126.8807 61.2246 33.6249 174.3042 144 I 4.3870 8.5067 130.1426 59.6431 38.8480 175.4714 145 N 5.1502 8.4935 125.4981 51.8217 39.7856 175.1946 146 Q 4.0513 8.6890 118.0036 57.2615 29.7843 177.2265 147 G 4.5126 8.7994 107.9608 45.3398 0.0000 173.5175 148 V 4.1425 7.3009 119.0130 62.5227 33.2093 174.8639 149 T 5.0778 9.6607 124.3386 61.9677 71.0992 173.3350 150 I 4.5175 8.7410 128.4905 59.5729 38.4546 175.8275 151 G 4.0689 9.2012 115.6290 45.9231 0.0000 172.1877 152 A 4.1986 9.0914 124.4483 53.1683 19.3953 178.4139 153 R 4.3973 8.5142 119.2569 57.2394 28.2705 176.5105 154 S 4.9210 7.5670 114.2568 57.3469 65.7460 173.2262 155 V 4.8616 8.6619 120.2259 61.2584 34.9889 174.1078 156 V 4.6642 8.6510 127.4578 60.6143 33.1993 174.8241 157 A 4.2012 9.1195 130.2583 51.4589 19.5538 176.5101 158 A 3.8920 8.4303 122.3094 54.0604 18.7480 177.0450 159 N 4.9280 8.7235 117.5399 53.6256 38.2834 174.3604 160 S 4.6208 7.3549 109.9368 57.3624 65.3021 172.7987 161 V 4.6838 8.5639 120.5507 61.0418 34.3896 174.2771 162 V 4.5357 8.5650 127.7670 61.6116 32.8004 175.4923 163 N 4.7468 8.9640 125.4436 53.4610 39.7511 174.8459 164 Q 4.7587 7.5161 114.3959 53.6204 32.0130 174.9439 165 D 4.6242 8.7959 119.4984 55.3197 41.8598 176.2499 166 V 4.3353 8.4085 122.1283 60.3393 33.5808 173.5358 167 P 4.7309 0.0000 0.0000 61.9790 32.1062 174.5061 168 P 4.3443 0.0000 0.0000 63.0515 32.4694 175.6521 169 D 4.6488 8.9266 119.1366 56.0069 38.6645 173.8185 170 T 5.0164 8.3115 114.2014 61.7591 73.3186 173.0401 171 L 4.9703 9.2274 127.6329 53.7326 44.0522 175.6760 172 V 4.9231 8.5695 118.8494 59.9794 36.3496 174.4576 173 G 4.0696 8.8566 107.3193 46.3489 0.0000 173.0535 174 G 4.0944 9.1398 106.2504 44.7210 0.0000 172.8458 175 T 4.6884 7.7710 113.8012 61.0817 70.7374 172.6780 176 P 4.7581 0.0000 0.0000 61.4499 32.7167 176.2705 177 A 4.3761 8.7326 124.3759 52.1807 18.9646 177.3063 178 R 4.7220 8.9349 117.5950 53.8281 33.4552 174.9100 179 I 3.9480 8.3007 121.2537 62.2205 37.0871 175.7194 180 L 4.4239 8.8269 128.4063 56.4406 42.1134 176.9977 181 R 4.5822 7.4150 112.5176 55.1338 32.7680 173.1160 182 S 4.5731 8.5934 114.7032 57.9430 63.1576 173.4305 183 L 4.6717 8.5493 125.2433 54.7586 42.4558 177.0854 184 K 4.3793 8.2074 120.4418 55.6979 34.0424 176.8621 185 D 4.5625 8.4725 118.6961 55.0430 41.1115 176.4043 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 S 8.19 4.49 0.00 4.01 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 5 E 8.68 3.87 0.00 2.11 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 0.00 2.35 2.36 0.00 6 L 8.79 3.93 0.00 1.55 1.72 0.78 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.03 4.02 0.00 2.00 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 2.30 2.41 0.00 8 K 7.95 3.91 0.00 2.16 2.16 0.00 1.78 0.00 0.00 1.98 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.76 7.81 *10 L 7.84 4.27 0.00 1.71 1.70 0.90 0.83 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 11 K 8.15 4.28 0.00 1.95 1.82 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.34 7.81 12 G 8.29 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 0.00 0.00 0.00 13 E 7.77 4.56 0.00 2.06 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 2.29 2.29 0.00 14 H 8.39 4.50 0.00 3.12 3.11 0.00 5.68 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 15 F 7.24 5.09 0.00 3.10 3.04 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 16 D 10.04 4.63 0.00 2.92 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 17 G 8.93 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 18 A 7.92 4.61 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 19 S 7.84 4.24 0.00 4.07 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 20 A 8.70 4.24 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.12 3.84 0.00 2.05 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 2.36 2.40 0.00 22 I 7.41 3.69 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 1.44 0.41 1.08 0.00 0.00 23 E 8.32 4.08 0.00 2.28 2.30 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 2.60 2.42 0.00 24 A 8.06 4.07 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.03 3.99 0.00 1.86 2.05 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.36 4.12 0.00 1.88 2.14 0.00 3.22 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.36 0.00 27 S 8.43 4.08 0.00 4.08 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 28 Q 7.99 3.89 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 29 A 8.27 4.08 1.44 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 30 G 7.96 3.52 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 0.00 31 R 7.97 3.90 0.00 1.90 2.09 0.00 3.09 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 1.68 1.67 0.00 32 L 8.01 3.93 0.00 1.65 1.58 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.96 3.82 0.00 1.89 1.88 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.71 1.48 7.81 34 L 7.68 4.05 0.00 1.70 1.78 0.92 0.97 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 35 E 7.66 4.11 0.00 2.03 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 2.33 2.50 0.00 36 I 8.00 3.86 1.82 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.19 0.86 0.00 0.00 37 N 8.50 4.54 0.00 2.72 2.89 0.00 0.00 6.94 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 38 Q 7.48 4.55 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 39 S 7.70 4.44 0.00 3.97 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 40 L 8.42 4.56 0.00 1.66 1.64 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.16 4.76 0.00 2.73 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 42 E 8.75 3.97 0.00 2.05 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 2.42 2.40 0.00 43 A 7.91 4.02 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 44 E 8.05 3.98 0.00 2.16 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 0.00 2.30 2.35 0.00 45 R 8.65 3.86 0.00 2.05 2.07 0.00 3.24 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 46 Y 8.33 4.10 0.00 3.17 3.15 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 47 A 8.06 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.96 4.00 0.00 1.87 1.63 0.89 0.78 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 49 Q 8.07 3.68 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.09 2.30 0.00 50 R 7.21 3.97 0.00 1.75 1.87 0.00 2.25 0.00 0.00 2.90 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.20 0.00 51 E 7.82 4.14 0.00 1.86 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 2.28 2.41 0.00 52 L 7.38 3.89 0.00 1.41 1.15 0.80 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.41 5.32 0.00 3.11 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 54 G 8.78 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 55 H 7.90 4.89 0.00 3.23 3.10 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.23 4.76 0.00 1.58 1.26 0.78 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.27 4.08 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 66 F 9.11 4.95 0.00 2.94 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 67 H 8.26 4.97 0.00 3.02 3.03 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.38 4.92 0.00 3.12 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 69 E 9.08 4.22 0.00 1.77 1.80 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 1.47 1.74 0.00 70 F 8.67 4.59 0.00 3.07 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 71 G 9.24 4.69 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 72 K 7.80 4.25 0.00 1.85 1.91 0.00 1.71 0.00 0.00 1.87 0.00 0.00 3.15 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.44 7.81 73 T 8.04 4.17 4.37 0.00 0.00 0.00 0.00 0.00 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 74 I 8.52 4.59 2.10 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.75 0.55 0.00 0.00 75 R 8.95 4.96 0.00 1.69 1.80 0.00 3.07 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 76 I 9.05 4.67 1.59 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.56 0.77 0.00 0.00 77 G 8.29 4.35 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 0.00 78 D 9.91 4.87 0.00 2.65 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 79 H 8.37 4.42 0.00 3.05 3.24 0.00 5.56 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.25 5.02 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 1.27 0.00 0.00 81 F 9.54 5.25 0.00 3.06 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 82 I 7.79 4.80 1.65 0.00 0.00 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0.00 2.76 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 0.00 110 T 9.21 4.41 4.52 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 1.37 0.00 0.00 111 A 7.96 5.18 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 0.00 112 S 8.97 4.52 0.00 3.88 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.38 5.37 0.00 3.05 3.17 0.00 5.74 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.59 4.55 0.00 3.86 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.41 4.10 0.00 1.70 1.75 0.94 1.05 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 0.00 116 D 8.35 4.67 0.00 2.71 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.68 4.18 0.00 3.30 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 0.00 118 R 6.85 3.63 0.00 1.77 1.80 0.00 3.01 0.00 0.00 3.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 119 R 7.58 4.51 0.00 1.92 1.93 0.00 3.08 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 120 R 7.96 4.69 0.00 2.06 1.94 0.00 3.09 0.00 0.00 3.39 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 121 Q 8.23 4.22 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.52 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 122 A 8.31 4.44 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 0.00 123 W 8.10 4.29 0.00 3.35 3.08 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 0.00 124 E 7.41 3.78 0.00 2.07 1.41 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 2.11 2.14 0.00 125 T 7.95 5.06 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 1.45 0.00 0.00 126 I 8.81 4.81 1.93 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.97 1.01 0.00 0.00 127 C 8.81 5.50 0.00 2.85 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 0.00 128 K 8.97 4.92 0.00 1.65 1.69 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.51 7.81 129 P 0.00 4.68 0.00 2.14 2.21 0.00 3.66 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 2.09 2.01 0.00 130 I 8.73 4.97 2.05 0.00 0.00 1.00 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 0.79 1.12 0.00 0.00 131 V 8.74 4.80 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 1.10 0.00 0.00 0.96 0.00 0.00 132 I 9.22 4.74 1.96 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.89 1.01 0.00 0.00 133 E 8.71 4.61 0.00 2.10 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 2.37 2.40 0.00 134 D 8.62 4.58 0.00 2.63 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 0.00 135 D 9.10 4.91 0.00 2.88 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 0.00 136 V 7.65 4.55 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 1.13 0.00 0.00 1.08 0.00 0.00 137 W 9.17 5.40 0.00 3.40 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 0.00 138 I 9.44 4.59 2.11 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 1.16 0.78 0.89 0.00 0.00 139 G 8.27 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 0.00 0.00 0.00 140 G 8.67 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 0.00 141 N 8.76 4.24 0.00 2.94 2.81 0.00 0.00 7.03 8.41 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 0.00 142 V 7.49 4.50 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 0.70 0.00 0.00 0.93 0.00 0.00 143 V 8.47 4.32 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 0.62 0.00 0.00 0.85 0.00 0.00 144 I 8.51 4.39 0.97 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.07 0.70 0.00 0.00 145 N 8.49 5.15 0.00 2.82 2.78 0.00 0.00 7.09 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 0.00 146 Q 8.69 4.05 0.00 2.19 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.19 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 147 G 8.80 4.51 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 0.00 148 V 7.30 4.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.05 0.00 0.00 149 T 9.66 5.08 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 1.23 0.00 0.00 150 I 8.74 4.52 1.90 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 1.14 0.59 0.93 0.00 0.00 151 G 9.20 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 0.00 152 A 9.09 4.20 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 0.00 153 R 8.51 4.40 0.00 2.03 2.10 0.00 3.13 0.00 0.00 3.09 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 154 S 7.57 4.92 0.00 3.91 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 0.00 155 V 8.66 4.86 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 0.66 0.00 0.00 1.14 0.00 0.00 156 V 8.65 4.66 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 0.78 0.00 0.00 0.86 0.00 0.00 157 A 9.12 4.20 1.15 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 0.00 158 A 8.43 3.89 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 0.00 159 N 8.72 4.93 0.00 2.83 2.83 0.00 0.00 7.17 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 0.00 160 S 7.35 4.62 0.00 4.15 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 0.00 161 V 8.56 4.68 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 0.97 0.00 0.00 0.90 0.00 0.00 162 V 8.56 4.54 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 0.89 0.00 0.00 0.83 0.00 0.00 163 N 8.96 4.75 0.00 2.73 2.84 0.00 0.00 6.94 7.69 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 0.00 164 Q 7.52 4.76 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.86 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 165 D 8.80 4.62 0.00 2.56 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 0.00 166 V 8.41 4.34 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 0.94 0.00 0.00 0.90 0.00 0.00 167 P 0.00 4.73 0.00 1.97 1.97 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 168 P 0.00 4.34 0.00 1.94 2.07 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 169 D 8.93 4.65 0.00 2.90 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 0.00 170 T 8.31 5.02 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 1.20 0.00 0.00 171 L 9.23 4.97 0.00 1.70 1.64 0.80 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 172 V 8.57 4.92 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 0.68 0.00 0.00 0.87 0.00 0.00 173 G 8.86 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 0.00 174 G 9.14 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 0.00 175 T 7.77 4.69 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 0.00 176 P 0.00 4.76 0.00 1.92 1.96 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 177 A 8.73 4.38 1.22 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 0.00 0.00 178 R 8.93 4.72 0.00 1.80 1.97 0.00 2.76 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 179 I 8.30 3.95 1.86 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 1.33 0.52 0.90 0.00 0.00 180 L 8.83 4.42 0.00 1.61 1.68 0.87 0.69 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 0.00 181 R 7.41 4.58 0.00 1.84 1.98 0.00 2.96 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 182 S 8.59 4.57 0.00 3.91 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 0.00 183 L 8.55 4.67 0.00 1.56 1.66 0.95 1.09 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 0.00 184 K 8.21 4.38 0.00 1.72 1.79 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.41 7.81 185 D 8.47 4.56 0.00 2.62 2.54 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.