NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2126 8.3444 119.6893 55.4830 30.8963 174.7678 4 L 4.1541 7.7106 121.6828 52.4539 42.4485 175.3967 5 T 4.4687 8.9645 118.5886 60.5742 72.8667 174.9249 6 E 4.0113 8.4944 119.9510 59.3847 29.4389 179.0753 7 E 3.9422 8.1822 118.9791 59.3717 29.7505 178.7787 8 Q 4.0424 7.9220 118.1673 58.9948 28.7411 178.7696 9 I 3.9368 7.8264 120.5423 64.5184 37.1355 178.1748 10 A 4.0978 8.7394 121.8659 55.3585 18.0674 179.5968 11 E 3.9441 8.3173 116.8572 59.7820 29.5642 179.7009 12 F 4.3634 8.4256 117.7661 60.3687 38.9174 177.7369 13 K 4.6209 8.8970 120.0789 59.5094 31.7931 178.5993 14 E 4.0830 8.8043 120.3764 58.6090 29.9358 178.2399 15 A 4.2903 8.5665 121.2435 55.3872 18.4777 179.1572 16 F 3.1025 8.8759 119.7615 61.4048 39.4019 177.5355 17 S 4.1929 8.4263 113.4767 61.1962 62.5430 176.4595 18 L 4.0226 7.6906 122.3097 57.4029 41.3312 178.9761 19 F 4.1700 7.7937 116.5162 59.6200 40.8158 176.7557 20 D 4.8214 7.6907 120.9151 52.0940 37.3026 176.8067 21 K 3.9548 7.7094 121.5817 59.3893 32.8555 178.6321 22 D 4.4174 8.2632 116.5032 53.6775 39.9056 176.1314 23 G 3.9389 7.7968 108.2677 46.8204 0.0000 173.9312 24 D 4.5476 8.7442 117.3557 53.0566 40.1892 177.0846 25 G 4.2033 9.7405 109.4288 45.3972 0.0000 173.2722 26 T 5.1120 7.2672 108.7292 60.0558 72.5491 173.5352 27 I 4.6087 8.8526 124.5739 59.9409 39.3260 175.8875 28 T 4.5097 9.3362 118.6401 60.9031 70.6237 176.2162 29 T 3.9061 8.4974 117.8425 66.4481 68.3158 176.9214 30 K 3.9660 7.9494 121.2283 59.6050 32.2254 178.6093 31 E 4.0052 8.0543 118.4240 59.1880 29.0801 179.1738 32 L 4.3214 7.8991 119.8709 58.2703 42.2987 179.0302 33 G 3.7613 8.0405 104.4059 47.8512 0.0000 175.4610 34 T 4.0784 8.0183 118.0315 66.3889 68.5465 178.5396 35 V 3.4727 7.3466 119.6190 62.9765 30.9039 177.9775 *37 R 5.1453 8.0273 118.4774 56.1037 31.8163 178.2530 38 S 4.0420 7.9058 112.7485 60.9746 62.8493 174.9387 39 L 4.3004 7.8009 118.9795 54.3958 41.2128 177.5490 40 G 3.8677 8.2718 106.8484 45.5926 0.0000 173.9420 41 Q 4.5253 7.5450 118.5332 54.6968 30.9212 174.6076 42 N 5.3707 8.0366 116.2813 51.4783 38.8685 171.8566 43 P 4.6483 0.0000 0.0000 62.3259 33.0126 177.8938 44 T 4.3359 8.9997 112.1458 60.7445 71.2683 175.6898 45 E 3.8885 8.6059 121.1381 59.4170 29.6610 178.4117 46 A 3.9935 8.0382 120.2234 55.4059 18.1776 179.3426 47 E 3.9331 7.9159 115.6526 59.4714 29.6181 179.2368 48 L 4.1329 7.7319 117.8988 57.9033 41.9569 179.0486 49 Q 4.1667 8.4271 119.7953 59.0872 28.9291 178.6369 50 D 4.5198 8.0143 117.1277 54.9562 40.8154 178.3315 *52 I 4.0914 7.7192 122.2752 61.6049 39.2836 177.7690 53 N 4.3051 8.5923 118.1740 56.3926 38.3391 176.7934 54 E 4.2660 8.0330 112.6708 57.8594 29.4619 177.5193 55 V 4.4049 7.4432 110.2303 61.1233 34.6286 176.0141 56 D 4.7354 7.8574 121.7884 52.4580 39.4534 176.0537 57 A 3.9774 8.2720 126.0883 54.9137 18.8372 178.6497 58 D 4.6053 8.5283 113.0977 52.8258 39.6144 176.9201 59 G 4.4744 7.6671 107.6338 47.0140 0.0000 174.0668 60 N 4.6061 8.1018 114.9672 52.0939 37.8230 176.1125 61 G 3.9560 9.3049 108.0580 45.7689 0.0000 172.8096 62 T 4.8026 7.5533 107.8320 60.1024 72.9355 172.8305 63 I 4.7986 8.5283 122.1505 59.7046 39.6760 176.0075 64 D 5.0898 8.8534 127.1616 52.1361 42.0636 177.3385 65 F 3.4515 8.8094 119.4458 60.9068 39.1881 175.0337 66 P 4.4413 0.0000 0.0000 66.0733 30.7838 178.1393 67 E 4.0028 9.2929 118.2648 58.8014 29.4138 178.7495 68 F 4.2437 8.2897 120.4324 61.1907 39.6150 176.3178 69 L 3.4883 7.8708 118.7990 57.8621 43.4504 178.9483 70 T 3.9820 7.5065 116.3359 63.7434 64.0998 174.2069 *73 A 4.2937 7.7014 125.3720 52.1365 21.1777 178.8784 74 R 4.0102 7.8493 113.5312 59.5607 30.6293 179.0832 75 K 5.1969 7.5316 115.2444 55.8603 30.2967 177.4727 *77 K 4.2049 7.7205 116.7074 55.9479 34.0464 175.0722 78 D 4.6160 7.6293 115.9045 53.6460 40.1053 175.7578 79 T 4.1833 7.3855 110.0115 61.4342 68.3382 171.8504 80 D 4.4822 8.4589 129.1505 53.9578 41.2784 175.8949 81 S 3.9472 8.5506 113.4666 62.1470 63.7108 178.6280 82 E 3.7764 7.4916 119.0656 58.8258 30.1426 179.0354 83 E 3.9602 7.8014 118.9688 59.5850 29.7006 178.8319 84 E 4.0386 8.8961 118.9872 59.3064 29.3957 179.3861 85 I 3.8735 7.6915 119.3838 64.6396 37.3618 178.1467 86 R 4.1752 8.6858 119.8017 59.6586 29.5923 178.1437 87 E 3.9873 8.3032 118.1946 59.0470 30.0059 178.2929 88 A 4.1835 8.3592 121.0940 55.1524 18.5593 179.1585 89 F 3.2363 8.5282 119.4748 61.5110 39.1400 177.5114 90 R 3.9612 7.9774 116.1492 59.1991 29.8566 178.9539 91 V 3.5516 7.2459 117.1641 65.9117 31.5622 177.8977 92 F 4.2741 7.5687 115.8771 59.7169 40.5455 176.5374 93 D 4.6443 7.9494 120.1845 52.2670 37.5615 176.2991 94 K 3.8227 7.8920 122.1527 59.4955 32.9876 178.4630 95 D 4.5091 8.5302 116.1794 52.4261 39.7057 176.4190 96 G 3.9531 7.8911 107.7645 46.9058 0.0000 174.0047 97 N 4.6479 8.7686 114.8130 52.3513 37.1898 176.0600 98 G 4.0451 9.2622 108.0785 45.7465 0.0000 172.5589 99 Y 5.1470 8.2204 116.5909 56.1670 41.6837 175.1404 100 I 4.4602 8.9432 126.1476 60.3290 38.3006 175.9368 101 S 4.7486 9.0146 122.6806 57.2922 64.6068 175.4452 102 A 3.9755 8.7098 121.7231 55.2112 18.0655 179.7774 103 A 3.9468 7.9578 118.8508 55.4080 18.4406 179.6131 104 E 3.9848 8.4490 117.3869 59.2506 29.3124 179.2360 105 L 4.0843 7.9263 119.4966 58.3015 42.3020 178.5716 106 R 4.0631 7.9912 117.3105 59.7344 30.1870 177.5894 107 H 4.4347 8.3526 117.8608 59.1274 29.9722 178.9916 108 V 3.7777 8.0006 120.0121 63.3556 31.2136 178.0108 *110 T 4.3556 7.9463 113.2357 63.1175 70.5686 175.8290 111 N 4.1868 8.5451 118.6328 56.7200 38.6471 176.3460 112 L 4.1119 7.6889 114.2496 54.7553 41.8473 177.0148 113 G 4.1490 9.1046 113.5235 45.9671 0.0000 174.0902 114 E 3.7788 8.0779 121.8605 56.0322 29.6228 176.2576 115 K 4.5873 8.5872 125.5698 54.7120 33.9863 175.5815 116 L 4.7796 8.0360 122.7221 53.0633 45.9466 176.1396 117 T 4.4624 8.1239 114.6660 63.2028 70.5666 175.6197 118 D 4.5561 8.5019 122.6752 56.3890 40.9327 178.4004 119 E 4.0830 8.0066 120.2200 58.9260 29.7029 177.9446 120 E 4.0248 7.9965 117.3185 59.0926 29.5963 179.0698 121 V 3.7460 7.4883 117.5012 66.1996 31.9524 177.5424 122 D 4.5540 7.7638 117.6432 57.0398 40.2778 179.0211 123 E 3.9349 8.1561 119.5140 56.2694 29.6608 178.7565 *125 I 4.1549 7.7655 119.2143 61.0315 39.0692 178.4368 126 R 4.1541 7.8104 117.4372 58.8585 29.9815 178.0054 127 E 4.0863 7.7831 115.3749 58.0404 29.5940 177.3683 128 A 4.5377 7.5810 118.7159 51.8466 21.1812 175.6265 129 D 4.4448 8.4913 116.5739 54.7084 41.4147 175.5359 130 I 4.2086 9.2601 128.2930 62.6749 38.3509 176.4365 131 D 4.5775 8.4065 116.5079 52.7180 39.7135 176.6037 132 G 3.9093 8.1963 107.2542 46.8500 0.0000 173.9891 133 D 4.5266 8.4100 116.8751 52.7022 39.6685 176.9676 134 G 3.9506 9.0544 107.8892 46.4189 0.0000 173.4232 135 Q 4.6548 8.3955 116.5385 53.9470 33.0050 174.8234 136 V 4.4652 8.4996 119.8095 61.2865 32.4607 175.5054 137 N 5.2730 9.4211 128.5860 51.1042 40.1921 174.9375 138 Y 2.9863 8.1496 119.8676 60.7383 38.6547 177.9186 139 E 3.7093 8.0646 117.9236 59.3438 29.4709 178.7090 140 E 3.8991 8.7401 119.2156 58.9859 29.5868 178.8036 141 F 4.1715 8.0040 119.6190 61.2949 39.6246 176.8091 142 V 3.6404 7.5101 116.7050 65.5588 32.6297 177.7198 143 Q 4.2299 7.8536 119.2166 56.1515 24.3150 176.8512 *146 T 4.1471 7.4888 107.5463 60.7421 70.9884 174.9193 147 A 4.1278 7.4415 130.1298 52.8176 18.4778 177.8510 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 Q 8.34 4.21 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 4 L 7.71 4.15 0.00 1.72 1.61 0.99 0.67 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 5 T 8.96 4.47 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 6 E 8.49 4.01 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 7 E 8.18 3.94 0.00 2.01 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 2.39 2.35 0.00 8 Q 7.92 4.04 0.00 2.38 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 9 I 7.83 3.94 2.11 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 1.57 1.05 0.97 0.00 0.00 10 A 8.74 4.10 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 0.00 0.00 0.00 0.00 0.00 11 E 8.32 3.94 0.00 2.11 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 2.33 2.71 0.00 12 F 8.43 4.36 0.00 3.36 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 13 K 8.90 4.62 0.00 2.17 2.16 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.51 7.81 14 E 8.80 4.08 0.00 2.11 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 0.00 2.39 2.30 0.00 15 A 8.57 4.29 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.88 3.10 0.00 2.94 3.34 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 17 S 8.43 4.19 0.00 4.18 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.69 4.02 0.00 1.60 1.50 0.86 0.69 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 19 F 7.79 4.17 0.00 2.74 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 20 D 7.69 4.82 0.00 2.10 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 0.00 0.00 0.00 21 K 7.71 3.95 0.00 1.76 1.84 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.54 7.81 22 D 8.26 4.42 0.00 2.79 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 23 G 7.80 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 0.00 0.00 0.00 0.00 24 D 8.74 4.55 0.00 2.82 2.94 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 25 G 9.74 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 26 T 7.27 5.11 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 1.29 0.00 0.00 27 I 8.85 4.61 1.73 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.43 0.79 0.00 0.00 28 T 9.34 4.51 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 29 T 8.50 3.91 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 1.22 0.00 0.00 30 K 7.95 3.97 0.00 1.82 1.80 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.53 7.81 31 E 8.05 4.01 0.00 2.22 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 0.00 2.32 2.31 0.00 32 L 7.90 4.32 0.00 1.84 1.95 0.81 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.04 3.76 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 0.00 0.00 0.00 34 T 8.02 4.08 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 1.17 0.00 0.00 35 V 7.35 3.47 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 0.42 0.00 0.00 0.43 0.00 0.00 *37 R 8.03 5.15 0.00 2.07 1.98 0.00 3.45 0.00 0.00 3.30 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 38 S 7.91 4.04 0.00 3.92 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 39 L 7.80 4.30 0.00 1.62 1.63 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.27 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 41 Q 7.54 4.53 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 42 N 8.04 5.37 0.00 2.59 2.66 0.00 0.00 7.01 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 43 P 0.00 4.65 0.00 2.23 2.05 0.00 3.82 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 2.00 1.98 0.00 44 T 9.00 4.34 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 45 E 8.61 3.89 0.00 2.02 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 2.38 2.33 0.00 46 A 8.04 3.99 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 47 E 7.92 3.93 0.00 2.13 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 0.00 2.35 2.35 0.00 48 L 7.73 4.13 0.00 1.79 1.74 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.43 4.17 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 50 D 8.01 4.52 0.00 2.90 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 *52 I 7.72 4.09 1.99 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 1.40 1.31 0.91 0.00 0.00 53 N 8.59 4.31 0.00 2.91 2.87 0.00 0.00 6.81 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 54 E 8.03 4.27 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.26 0.00 55 V 7.44 4.40 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 0.65 0.00 0.00 0.96 0.00 0.00 56 D 7.86 4.74 0.00 2.98 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.27 3.98 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 58 D 8.53 4.61 0.00 2.86 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 59 G 7.67 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 60 N 8.10 4.61 0.00 2.96 3.01 0.00 0.00 6.91 6.88 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 61 G 9.30 3.96 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 62 T 7.55 4.80 4.27 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 1.22 0.00 0.00 63 I 8.53 4.80 1.90 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 1.31 0.74 1.07 0.00 0.00 64 D 8.85 5.09 0.00 2.91 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 65 F 8.81 3.45 0.00 2.45 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 66 P 0.00 4.44 0.00 2.33 2.35 0.00 3.81 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.10 0.00 67 E 9.29 4.00 0.00 2.16 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 2.36 2.68 0.00 68 F 8.29 4.24 0.00 3.16 3.24 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 69 L 7.87 3.49 0.00 1.52 1.62 -0.02 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.51 3.98 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 1.16 0.00 0.00 *73 A 7.70 4.29 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.85 4.01 0.00 1.81 1.98 0.00 3.13 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 75 K 7.53 5.20 0.00 1.72 1.80 0.00 1.79 0.00 0.00 2.28 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.34 7.81 *77 K 7.72 4.20 0.00 1.75 1.86 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.40 7.81 78 D 7.63 4.62 0.00 2.93 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.39 4.18 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 80 D 8.46 4.48 0.00 2.80 2.57 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 0.00 81 S 8.55 3.95 0.00 3.93 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 82 E 7.49 3.78 0.00 2.07 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 2.42 2.44 0.00 83 E 7.80 3.96 0.00 1.93 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 0.00 2.33 2.44 0.00 84 E 8.90 4.04 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 85 I 7.69 3.87 2.13 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 1.63 1.01 1.10 0.00 0.00 86 R 8.69 4.18 0.00 2.10 2.27 0.00 3.15 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 87 E 8.30 3.99 0.00 2.23 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 2.35 2.39 0.00 88 A 8.36 4.18 1.76 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 0.00 0.00 89 F 8.53 3.24 0.00 2.68 3.24 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 90 R 7.98 3.96 0.00 2.05 1.96 0.00 3.24 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 91 V 7.25 3.55 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.83 0.00 0.00 92 F 7.57 4.27 0.00 2.88 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 7.95 4.64 0.00 1.84 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 0.00 0.00 0.00 0.00 94 K 7.89 3.82 0.00 1.87 1.89 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.44 7.81 95 D 8.53 4.51 0.00 2.80 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 96 G 7.89 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 97 N 8.77 4.65 0.00 2.96 2.99 0.00 0.00 6.94 6.43 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 98 G 9.26 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.22 5.15 0.00 2.96 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 0.00 100 I 8.94 4.46 1.89 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.61 0.89 0.00 0.00 101 S 9.01 4.75 0.00 3.94 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 0.00 102 A 8.71 3.98 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 0.00 103 A 7.96 3.95 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 0.00 104 E 8.45 3.98 0.00 2.18 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 0.00 2.35 2.33 0.00 105 L 7.93 4.08 0.00 1.63 1.89 0.93 0.84 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 0.00 106 R 7.99 4.06 0.00 1.95 2.13 0.00 3.34 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 107 H 8.35 4.43 0.00 3.33 3.44 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.00 3.78 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 0.60 0.00 0.00 0.98 0.00 0.00 *110 T 7.95 4.36 4.45 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 1.23 0.00 0.00 111 N 8.55 4.19 0.00 2.63 2.82 0.00 0.00 7.22 7.74 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 0.00 112 L 7.69 4.11 0.00 1.64 1.59 0.71 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 113 G 9.10 4.15 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 0.00 114 E 8.08 3.78 0.00 1.94 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 2.46 0.00 115 K 8.59 4.59 0.00 1.77 1.71 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.37 7.81 116 L 8.04 4.78 0.00 1.56 1.57 0.97 0.95 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 0.00 117 T 8.12 4.46 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 118 D 8.50 4.56 0.00 2.69 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 0.00 119 E 8.01 4.08 0.00 2.08 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 2.36 2.46 0.00 120 E 8.00 4.02 0.00 2.15 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 2.33 2.43 0.00 121 V 7.49 3.75 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.01 0.00 0.00 122 D 7.76 4.55 0.00 2.91 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 0.00 123 E 8.16 3.93 0.00 2.18 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 2.31 2.55 0.00 *125 I 7.77 4.15 2.05 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 1.66 0.72 0.95 0.00 0.00 126 R 7.81 4.15 0.00 2.00 2.00 0.00 3.16 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 127 E 7.78 4.09 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 128 A 7.58 4.54 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.49 4.44 0.00 2.74 2.63 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 0.00 130 I 9.26 4.21 1.99 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 1.56 0.99 0.92 0.00 0.00 131 D 8.41 4.58 0.00 2.80 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 0.00 132 G 8.20 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 0.00 133 D 8.41 4.53 0.00 2.77 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 0.00 134 G 9.05 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 Q 8.40 4.65 0.00 2.46 2.24 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 2.33 2.49 0.00 136 V 8.50 4.47 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 1.33 0.00 0.00 0.99 0.00 0.00 137 N 9.42 5.27 0.00 2.71 2.89 0.00 0.00 6.46 7.59 0.00 0.00 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 Y 8.15 2.99 0.00 2.54 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 0.00 139 E 8.06 3.71 0.00 2.13 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 0.00 2.46 2.33 0.00 140 E 8.74 3.90 0.00 2.16 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 0.00 2.36 2.48 0.00 141 F 8.00 4.17 0.00 3.28 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 0.00 142 V 7.51 3.64 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 0.73 0.00 0.00 0.21 0.00 0.00 143 Q 7.85 4.23 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.34 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 *146 T 7.49 4.15 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 1.18 0.00 0.00 147 A 7.44 4.13 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 * Residues marked with a * may have inaccurate shift predictions.