NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4391 0.0000 0.0000 62.2858 32.8309 177.4156 3 R 3.5403 8.5082 120.6668 58.5052 30.2881 171.3782 4 V 4.7402 7.8251 110.0299 59.6646 36.7570 174.5361 5 V 4.0261 7.8494 115.1019 60.3084 32.5713 174.9350 6 P 4.3079 0.0000 0.0000 65.3110 30.8484 177.0046 7 D 4.6811 7.7321 121.4233 51.3726 41.1980 175.8060 8 Q 3.7793 9.1249 123.9963 59.4699 28.9254 179.0124 9 R 3.2274 7.5605 111.0518 59.0292 30.2948 177.6071 10 S 4.0073 8.3312 111.7519 61.6972 63.1276 175.5945 11 K 3.7892 7.5730 121.6146 59.7082 31.6706 177.9956 12 F 3.0555 8.1723 120.6297 61.4746 39.2388 176.9831 13 E 4.1516 8.1725 116.8143 58.7080 29.3455 178.2528 14 N 4.8133 8.3031 115.6419 54.2693 39.7278 174.8178 15 E 3.8884 8.7696 124.5277 56.7093 30.4330 176.6440 16 E 3.7310 9.0669 126.6250 59.8125 29.3995 178.4650 17 F 3.9032 7.9534 119.6513 61.4142 39.9522 177.3408 18 F 3.4241 7.9940 116.8305 60.0131 38.7353 177.2490 19 R 3.6630 7.5854 115.6544 59.7204 28.7467 178.1935 20 K 3.6805 7.6032 119.6020 58.6627 32.3759 177.6840 21 L 3.8922 7.6799 118.0342 55.5360 41.6509 178.6968 22 S 4.4084 7.9769 114.0769 60.3119 62.5513 174.1546 23 R 4.4878 7.7210 116.7462 54.9412 30.2661 175.1961 24 E 4.4389 8.2496 121.2250 54.7270 30.7799 176.1607 25 C 4.7728 8.4041 115.8861 56.5676 32.9807 172.5726 26 E 4.4156 8.9815 121.4920 57.2844 30.1848 175.6486 27 I 4.8107 8.9814 119.9807 59.0671 40.7477 174.5007 28 K 5.0117 8.1957 122.5260 54.4107 36.1437 175.2547 29 Y 4.1411 8.3406 123.9627 57.6103 39.5106 175.5364 30 T 4.2723 6.9041 112.8448 60.9285 69.7013 175.4296 31 G 2.9617 5.3800 111.3311 45.0345 0.0000 172.9692 32 F 4.0472 6.7292 116.7045 58.6942 39.0402 175.6998 33 R 4.6380 8.5436 121.9525 56.0830 31.1743 176.6018 34 D 4.5062 8.2193 118.9903 56.7992 41.2042 177.0053 35 R 4.4216 7.7766 117.0922 54.0329 31.0175 174.4740 36 P 4.3512 0.0000 0.0000 63.7801 32.3992 177.7949 37 H 3.8299 8.5080 121.1487 58.8218 30.5155 175.5433 38 E 4.4188 7.8273 118.6414 59.3454 29.0401 177.8723 39 E 3.9297 8.2860 117.4110 60.2661 29.9579 179.1725 40 R 4.1131 8.3206 116.8537 59.6991 30.0601 178.2277 41 Q 3.8997 8.2289 116.2357 60.2020 28.4179 179.5300 42 T 3.8416 7.8044 116.7629 66.3410 68.4068 176.8140 43 R 4.0356 8.6645 120.1349 59.5322 30.2365 178.3596 44 F 4.1866 8.9125 121.2129 61.5320 39.2988 176.5417 45 Q 3.3903 8.1213 118.7681 59.3258 28.6217 178.3743 46 N 4.2658 8.0907 116.1324 56.9247 39.1996 176.3170 47 A 4.2447 8.8178 122.7317 55.1900 18.3576 179.0692 48 C 4.2629 8.7517 117.6558 62.6107 31.2455 175.8673 49 R 3.9442 7.6521 119.5564 59.2941 29.7965 177.6344 50 D 4.7689 8.2663 116.7673 54.5448 41.3304 177.0496 51 G 4.2087 8.2787 108.2380 46.1417 0.0000 172.6796 52 R 4.7013 8.0814 117.3268 53.9876 33.1145 174.8890 53 S 4.7871 8.4380 117.5102 56.5446 67.0941 172.4407 54 E 4.7348 8.7370 123.8512 54.5722 32.0433 174.1694 55 I 4.7703 8.0542 126.8858 59.5748 41.7728 174.3410 56 A 4.5533 7.6979 121.1500 50.8280 23.1560 176.0885 57 F 4.3570 8.9131 121.1411 57.4186 38.5082 176.1286 58 V 3.5081 8.1785 124.5322 65.8783 30.8167 176.8673 59 A 3.9311 7.4364 120.8509 55.6719 18.7539 178.1625 60 T 3.8623 7.8326 111.5646 64.1291 68.0507 175.9911 61 G 4.0727 8.7336 107.0775 44.9498 0.0000 173.5781 62 T 4.0084 8.1021 117.4862 64.2498 69.3059 172.9684 63 N 5.0598 8.7515 124.0897 52.4107 40.3584 174.7448 64 L 4.5905 9.1468 121.7835 53.4596 46.7696 174.8851 65 S 4.7131 8.4781 118.9790 56.8914 64.6542 173.3874 66 L 4.4309 8.5124 125.2485 52.8515 44.0405 175.3027 67 Q 4.3164 8.0033 123.1532 54.2513 31.1793 174.8241 68 F 4.6961 7.6511 124.3029 57.9948 39.6142 175.7688 69 F 5.1110 7.3925 117.5026 55.1465 42.3558 171.2835 70 P 4.2244 0.0000 0.0000 64.3679 32.3948 178.3175 *82 S 4.4154 8.9358 116.8633 57.9018 63.6124 175.1071 83 R 4.7299 8.8939 108.1733 53.9485 32.9262 176.1775 84 E 4.5010 8.7186 118.2305 56.3250 29.3200 174.4731 85 Y 5.0851 8.4372 124.9955 56.9991 43.5853 173.0877 86 V 4.6810 6.7007 119.7998 59.9349 34.0675 174.2799 87 D 5.1765 9.4864 125.2237 52.4310 44.0052 174.6019 88 L 4.9217 8.4158 124.8034 54.8450 44.4079 175.3671 89 E 4.3410 9.7222 124.7077 56.4931 27.4648 176.2149 90 R 3.8437 7.5394 117.8250 58.9063 29.6954 176.4436 91 E 4.4221 7.7311 116.9232 54.6564 32.5007 175.7475 92 A 4.1075 8.7539 127.4274 54.0443 18.6398 177.7926 93 G 3.9946 8.0003 104.2512 45.4396 0.0000 173.3890 94 K 4.7737 7.3814 117.0171 56.0871 35.2514 174.6446 95 V 4.6510 8.7982 117.4821 61.9930 35.2603 174.6333 96 Y 5.0281 8.9042 124.8487 56.5665 40.0030 174.8133 97 L 5.1654 9.3374 123.3220 53.0528 46.2491 175.7467 98 K 5.4317 8.8076 118.9331 55.1681 36.0644 175.2990 99 A 5.2274 10.3422 127.4520 49.4339 22.3322 173.7621 100 P 4.3256 0.0000 0.0000 63.4823 32.3445 175.0054 101 M 4.4747 8.8984 119.3341 55.2831 36.3890 173.6833 102 I 5.1670 8.0274 121.5795 58.4221 37.4180 174.1660 103 L 4.1721 8.3026 124.3141 55.1968 41.7675 176.2437 104 N 4.3308 9.3250 126.3056 54.5449 35.8444 174.7934 105 G 4.3494 8.3260 100.9235 45.7909 0.0000 174.0195 106 V 4.1811 7.4583 120.0269 60.1898 31.6466 173.7283 107 C 4.6371 8.6617 128.3218 60.0830 32.5012 172.5544 108 V 5.0013 10.0218 125.5252 61.5910 36.0222 173.4702 109 I 5.1137 8.8012 122.9600 59.2425 40.5484 174.5782 110 W 5.0543 10.6273 135.0000 56.2489 31.9812 175.1225 111 K 4.7378 8.6906 126.2793 53.9661 35.7205 175.7203 112 G 3.8334 7.2163 110.8762 45.9927 0.0000 171.1414 113 W 5.5451 7.0160 115.9185 54.5508 31.8780 174.4923 114 I 5.0754 8.8307 120.7111 59.6347 41.2661 174.2972 115 D 4.9150 9.8826 127.2578 53.5659 41.3040 176.7150 116 L 4.2667 8.1571 127.7384 56.7212 42.1362 176.3231 117 H 4.7825 8.3226 116.1726 58.2760 31.7041 175.2032 118 R 4.1924 8.3049 116.8639 57.0823 30.4638 176.8233 119 L 3.9242 9.2718 117.5688 55.7621 39.6267 173.0564 120 D 5.1268 7.8420 116.2798 53.1466 45.1570 174.8049 121 G 3.4461 8.5708 109.4565 47.3154 0.0000 171.3176 122 M 5.3500 5.8600 119.0559 54.5672 36.7368 174.4669 123 G 3.7954 8.6195 109.7940 44.4178 0.0000 170.4709 124 C 5.3894 8.6956 113.8717 56.2670 33.5554 173.1213 125 L 4.8613 8.4072 120.4899 54.3562 42.5006 176.6202 126 E 4.6618 9.3891 123.8779 53.8453 31.8624 174.3400 127 F 4.3502 8.8705 119.5679 56.5945 38.2693 174.3681 128 D 4.1828 8.2792 125.1823 54.7317 41.3652 177.0799 129 E 3.9326 8.5853 127.3530 59.2210 29.5922 178.6928 130 E 3.8912 8.0373 118.8722 59.4150 29.7757 178.9889 131 R 3.9176 10.0346 118.1024 59.1921 30.1243 178.8679 132 A 4.0330 7.9405 120.4474 55.2036 18.3525 179.5458 133 Q 3.8898 8.3459 118.2150 59.1432 29.0660 178.0032 134 Q 3.8970 8.2057 120.6494 59.2229 29.0788 177.8343 135 E 3.9239 8.7516 120.4728 59.5157 29.4766 178.2975 136 D 4.3616 7.8797 117.3065 57.4505 40.9498 178.6874 137 A 4.1254 7.7563 119.9674 55.1681 18.6201 179.3552 138 L 3.9724 8.1291 117.2978 56.6419 42.5078 176.9982 139 A 4.5109 7.5589 121.8593 51.4024 19.8797 177.0892 140 Q 4.2197 8.3276 118.0238 56.8746 28.0427 174.0885 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 2 P 0.00 4.44 0.00 2.48 2.26 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 3 R 8.51 3.54 0.00 2.00 2.06 0.00 3.35 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 4 V 7.83 4.74 2.26 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 0.69 0.00 0.00 0.99 0.00 0.00 5 V 7.85 4.03 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 0.70 0.00 0.00 0.96 0.00 0.00 6 P 0.00 4.31 0.00 2.05 2.12 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 7 D 7.73 4.68 0.00 2.76 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 8 Q 9.12 3.78 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.66 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 9 R 7.56 3.23 0.00 1.94 1.73 0.00 3.39 0.00 0.00 3.34 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.95 0.00 10 S 8.33 4.01 0.00 3.94 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 11 K 7.57 3.79 0.00 1.75 1.89 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.40 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.54 1.55 7.81 12 F 8.17 3.06 0.00 2.45 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 13 E 8.17 4.15 0.00 1.95 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 2.11 2.42 0.00 14 N 8.30 4.81 0.00 2.74 2.86 0.00 0.00 6.94 7.52 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 15 E 8.77 3.89 0.00 2.16 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 2.79 2.62 0.00 16 E 9.07 3.73 0.00 2.06 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 2.37 2.38 0.00 17 F 7.95 3.90 0.00 2.89 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 18 F 7.99 3.42 0.00 2.90 1.77 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 19 R 7.59 3.66 0.00 1.97 2.12 0.00 2.76 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.56 0.00 20 K 7.60 3.68 0.00 1.71 1.80 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.41 7.81 21 L 7.68 3.89 0.00 1.26 1.04 -0.21 -0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.98 4.41 0.00 3.84 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 23 R 7.72 4.49 0.00 1.95 1.93 0.00 3.08 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 24 E 8.25 4.44 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 25 C 8.40 4.77 0.00 3.01 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 26 E 8.98 4.42 0.00 2.07 1.91 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 2.36 2.31 0.00 27 I 8.98 4.81 1.71 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.96 0.94 0.00 0.00 28 K 8.20 5.01 0.00 1.62 1.66 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.31 7.81 29 Y 8.34 4.14 0.00 2.59 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 30 T 6.90 4.27 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 31 G 5.38 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 0.00 0.00 0.00 32 F 6.73 4.05 0.00 3.13 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.54 4.64 0.00 1.76 1.92 0.00 3.11 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 34 D 8.22 4.51 0.00 2.71 2.74 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 35 R 7.78 4.42 0.00 1.86 1.96 0.00 3.34 0.00 0.00 3.49 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 36 P 0.00 4.35 0.00 2.20 2.04 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 37 H 8.51 3.83 0.00 3.28 3.30 0.00 5.91 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 38 E 7.83 4.42 0.00 2.07 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 2.41 2.23 0.00 39 E 8.29 3.93 0.00 2.11 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 2.35 2.39 0.00 40 R 8.32 4.11 0.00 2.12 2.06 0.00 3.31 0.00 0.00 3.46 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 41 Q 8.23 3.90 0.00 2.25 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.42 0.00 42 T 7.80 3.84 4.50 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 1.22 0.00 0.00 43 R 8.66 4.04 0.00 2.29 2.50 0.00 3.52 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 44 F 8.91 4.19 0.00 1.89 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 45 Q 8.12 3.39 0.00 1.90 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.53 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 46 N 8.09 4.27 0.00 3.08 3.02 0.00 0.00 7.28 7.58 0.00 0.00 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 8.82 4.24 1.61 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 0.00 0.00 48 C 8.75 4.26 0.00 2.81 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 49 R 7.65 3.94 0.00 1.87 2.29 0.00 3.32 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 50 D 8.27 4.77 0.00 2.94 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 51 G 8.28 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.08 4.70 0.00 1.66 1.73 0.00 3.19 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.77 0.00 53 S 8.44 4.79 0.00 4.21 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.74 4.73 0.00 1.78 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 1.91 2.04 0.00 55 I 8.05 4.77 1.29 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.52 0.75 0.00 0.00 56 A 7.70 4.55 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 57 F 8.91 4.36 0.00 3.08 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 58 V 8.18 3.51 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 0.73 0.00 0.00 0.98 0.00 0.00 59 A 7.44 3.93 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 60 T 7.83 3.86 4.19 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 1.32 0.00 0.00 61 G 8.73 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 62 T 8.10 4.01 4.61 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 1.45 0.00 0.00 63 N 8.75 5.06 0.00 2.55 2.64 0.00 0.00 6.94 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 9.15 4.59 0.00 1.27 1.20 1.09 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 65 S 8.48 4.71 0.00 3.60 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 66 L 8.51 4.43 0.00 1.00 1.09 -0.27 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.00 4.32 0.00 1.80 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.05 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 68 F 7.65 4.70 0.00 1.76 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 69 F 7.39 5.11 0.00 3.07 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 70 P 0.00 4.22 0.00 2.14 1.95 0.00 3.89 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 2.46 2.17 0.00 *82 S 8.94 4.42 0.00 3.85 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 83 R 8.89 4.73 0.00 1.95 1.85 0.00 3.02 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 84 E 8.72 4.50 0.00 2.36 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 0.00 2.42 2.40 0.00 85 Y 8.44 5.09 0.00 3.10 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 86 V 6.70 4.68 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 0.46 0.00 0.00 0.73 0.00 0.00 87 D 9.49 5.18 0.00 3.02 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 88 L 8.42 4.92 0.00 1.58 1.46 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 89 E 9.72 4.34 0.00 2.04 2.40 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 2.13 2.19 0.00 90 R 7.54 3.84 0.00 1.73 1.47 0.00 2.74 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 1.15 1.34 0.00 91 E 7.73 4.42 0.00 2.03 1.75 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 2.16 2.08 0.00 92 A 8.75 4.11 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.00 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 94 K 7.38 4.77 0.00 2.30 2.09 0.00 1.61 0.00 0.00 1.47 0.00 0.00 2.89 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.43 1.62 7.81 95 V 8.80 4.65 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.85 0.00 0.00 96 Y 8.90 5.03 0.00 3.08 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 9.34 5.17 0.00 1.87 1.56 1.23 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.81 5.43 0.00 2.07 1.84 0.00 1.81 0.00 0.00 1.93 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.55 7.81 99 A 10.34 5.23 1.39 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 0.00 100 P 0.00 4.33 0.00 2.16 2.16 0.00 4.14 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 2.03 2.04 0.00 101 M 8.90 4.47 0.00 2.27 2.02 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 102 I 8.03 5.17 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.25 1.01 0.00 0.00 103 L 8.30 4.17 0.00 1.95 2.02 1.14 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 104 N 9.33 4.33 0.00 3.17 2.99 0.00 0.00 7.16 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 0.00 105 G 8.33 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 0.00 106 V 7.46 4.18 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 0.92 0.00 0.00 0.95 0.00 0.00 107 C 8.66 4.64 0.00 3.10 2.86 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 0.00 108 V 10.02 5.00 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 1.29 0.00 0.00 1.28 0.00 0.00 109 I 8.80 5.11 2.07 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 1.20 0.77 1.02 0.00 0.00 110 W 10.63 5.05 0.00 3.58 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 0.00 111 K 8.69 4.74 0.00 1.69 1.53 0.00 2.36 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.37 7.81 112 G 7.22 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 0.00 113 W 7.02 5.55 0.00 3.16 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 0.00 0.00 0.00 114 I 8.83 5.08 2.24 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 1.26 1.13 1.05 0.00 0.00 115 D 9.88 4.92 0.00 3.04 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 0.00 116 L 8.16 4.27 0.00 1.60 1.68 0.77 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.32 4.78 0.00 3.20 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.30 4.19 0.00 2.09 2.07 0.00 3.44 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.15 0.00 119 L 9.27 3.92 0.00 1.91 1.88 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 120 D 7.84 5.13 0.00 2.71 2.51 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 0.00 121 G 8.57 3.45 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 0.00 0.00 0.00 122 M 5.86 5.35 0.00 1.80 1.62 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 123 G 8.62 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 0.00 124 C 8.70 5.39 0.00 2.90 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.41 4.86 0.00 1.92 2.15 0.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 126 E 9.39 4.66 0.00 2.08 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 2.21 2.22 0.00 127 F 8.87 4.35 0.00 2.73 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 0.00 0.00 0.00 128 D 8.28 4.18 0.00 2.83 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 0.00 129 E 8.59 3.93 0.00 1.98 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 2.12 2.06 0.00 130 E 8.04 3.89 0.00 2.00 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 2.38 2.40 0.00 131 R 10.03 3.92 0.00 1.97 1.99 0.00 3.37 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.83 0.00 132 A 7.94 4.03 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 0.00 133 Q 8.35 3.89 0.00 2.18 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 134 Q 8.21 3.90 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 135 E 8.75 3.92 0.00 2.29 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 2.34 2.43 0.00 136 D 7.88 4.36 0.00 2.99 2.75 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 0.00 137 A 7.76 4.13 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 0.00 138 L 8.13 3.97 0.00 1.71 1.92 0.93 1.19 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 0.00 139 A 7.56 4.51 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.33 4.22 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.60 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.