NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.6289 8.3193 115.5596 57.7367 64.7165 173.7475 5 V 4.5102 7.9150 118.3930 57.2750 34.6855 172.8148 6 P 5.0208 0.0000 0.0000 62.6808 33.5687 175.8685 7 A 5.3946 9.6060 122.7835 50.3918 23.4961 174.8095 8 I 4.6423 8.3949 119.9670 59.5728 39.4674 175.3251 9 F 5.0454 9.2021 127.2052 56.8025 40.1516 175.5379 10 L 5.0283 9.0437 122.4087 52.8169 45.1186 176.0526 11 D 4.6999 9.1011 123.8538 54.7671 41.9381 174.3672 12 R 4.4311 8.7254 119.2591 57.8228 32.0282 175.3044 13 D 4.8337 7.1830 118.4747 55.1526 41.5651 177.2185 14 G 4.0295 9.1947 112.8103 45.6483 0.0000 173.8517 15 T 4.4332 7.7945 113.6882 65.0933 71.1615 175.8603 16 I 4.1343 8.4437 121.8387 62.5595 37.9328 175.5529 17 N 5.0982 7.3911 116.1804 50.0373 39.6386 173.7794 18 V 3.5101 7.7194 120.2282 63.1342 31.9133 176.3235 19 D 4.4901 8.1781 127.1547 53.6392 39.5306 175.2387 20 H 4.2947 8.0832 121.3327 55.7062 29.3776 174.7376 21 G 3.6323 8.7107 107.9187 45.4815 0.0000 173.8155 22 Y 3.9010 8.2217 127.5594 58.3150 35.5565 172.7132 23 V 3.6623 7.6680 117.9515 63.6555 32.2471 175.1582 24 H 4.5053 8.3309 118.6813 55.1969 30.7283 172.6144 25 E 4.5065 7.5242 119.9930 54.3625 32.6055 176.4778 26 I 2.7788 8.1865 124.3798 64.3527 37.0304 177.6756 27 D 4.4250 7.7274 115.8628 54.7966 39.3041 176.1375 28 N 4.7231 8.1075 116.9181 52.8792 39.0436 173.8649 29 F 4.3045 7.9790 121.7628 56.4829 39.8156 174.4130 30 E 4.7463 7.9033 129.7555 54.1524 31.7617 174.8766 31 F 4.8351 9.0951 126.3295 57.3650 40.0127 175.5731 32 I 3.9914 9.0032 124.7947 60.8928 38.3248 175.4658 33 D 4.4928 8.8217 124.8270 56.4248 41.1745 177.8383 34 G 3.9990 8.9934 110.7310 45.8892 0.0000 175.6182 35 V 3.7779 7.7441 113.0417 64.0755 31.9965 177.9012 36 I 3.7893 7.7621 119.7570 64.4091 37.4692 177.0388 37 D 4.4128 8.2134 119.5599 57.4567 40.8748 179.5366 38 A 4.1148 7.8946 120.3033 52.4534 17.7941 179.1957 *40 R 4.1815 8.1301 121.5891 57.9294 31.8486 177.2694 41 E 3.9815 8.2567 117.5544 59.0774 30.0857 177.8018 42 L 4.3230 8.3618 119.1592 57.7900 41.9680 179.6424 43 K 4.2355 8.1146 116.8940 59.3775 32.1592 179.8413 44 K 4.0631 8.0512 121.6236 55.8917 30.9100 177.4852 *46 G 3.7566 8.0942 104.5639 44.4630 0.0000 173.4693 47 F 4.7890 7.8458 118.5173 56.8649 39.9016 175.5786 48 A 4.4872 9.0851 124.3731 51.7539 20.1442 176.2969 49 L 5.0602 9.8651 120.5776 52.8710 45.1596 175.9594 50 V 4.8562 8.4557 122.9876 61.1243 34.7524 174.4007 51 V 4.5126 8.8914 128.7469 62.6909 33.0038 175.3640 52 V 5.0337 9.1159 120.7630 60.1006 34.4666 174.5142 53 T 4.7507 9.0175 120.5035 60.0283 70.4934 172.5614 54 N 4.8611 8.9169 126.1198 52.6795 39.6112 175.7655 55 Q 4.6719 9.0605 121.9740 54.0046 29.4360 176.1822 56 S 4.4420 7.9900 112.9204 59.5285 63.9002 176.2892 57 G 3.3296 8.1137 110.0299 47.6836 0.0000 175.8129 58 I 3.4045 7.3505 123.0096 63.6945 37.0944 178.3085 59 A 4.0721 7.3140 122.4947 55.0974 18.3648 179.3826 60 R 3.7706 7.6143 114.8332 57.4337 30.2254 177.4781 61 G 3.8589 7.7341 105.1199 45.7340 0.0000 174.7117 62 K 3.9228 7.3539 120.5513 58.7532 32.2657 176.8073 63 F 4.7521 6.8121 111.6199 55.0618 40.3034 173.0048 64 T 4.6690 9.1445 112.9505 60.4965 71.5305 175.4774 65 E 4.0075 8.7066 121.3023 59.1495 29.5217 178.8315 66 A 4.5428 7.9521 122.0024 54.9153 18.5933 179.4721 67 Q 3.9545 8.5699 116.9421 58.9173 28.7271 178.8831 68 F 4.0280 8.4827 121.9024 61.2519 39.4594 177.0057 69 E 3.8464 8.5094 118.5428 59.7135 29.2455 179.5826 70 T 3.8744 8.1414 115.9871 66.5753 68.3067 176.6338 71 L 3.9113 7.6524 121.1579 58.2332 42.1080 178.8096 72 T 3.7365 7.6498 115.5862 66.1135 68.4479 176.1006 73 E 4.0612 8.4050 121.7695 58.8613 29.6232 179.2864 74 W 4.3561 8.0024 124.8864 58.3277 30.5370 176.7346 *76 D 4.3817 8.0077 118.0335 53.6398 42.6010 177.5531 77 W 4.1719 8.1843 118.9993 59.9807 28.5226 178.6742 78 S 3.9872 7.8817 115.1211 61.3680 62.0062 176.9639 79 L 3.6667 7.6242 120.8361 57.6607 41.5457 178.8376 80 A 4.1900 8.0470 122.3801 54.7130 18.0644 179.1778 81 D 4.3937 8.5936 115.0214 56.3191 41.2126 177.5271 82 R 4.4964 6.9022 116.9142 55.5209 31.0894 175.3321 83 D 4.3392 8.1996 116.4681 55.6466 38.5868 174.5339 84 V 4.0445 7.9750 119.8777 61.1753 32.4511 173.8969 85 D 4.8177 8.3706 127.9261 52.0790 41.0930 175.9345 86 L 4.1847 8.1930 127.5031 54.8712 42.1699 177.5418 87 D 4.5681 8.9640 123.8637 57.0930 41.5049 176.7098 88 G 4.2931 7.7282 102.5227 45.6781 0.0000 172.8018 89 I 5.2907 8.1733 121.4729 59.8706 40.6913 174.2302 90 Y 4.9644 9.8782 125.3031 56.4146 41.2303 174.4781 91 Y 5.2372 8.0657 119.2563 55.8164 41.8529 173.7055 92 C 4.6438 8.8630 120.6768 57.2413 34.0939 172.1797 93 P 4.7049 0.0000 0.0000 63.3507 32.2614 175.2907 94 H 5.2203 7.7379 117.4992 56.1175 30.5301 174.0159 95 H 4.8043 8.8509 118.3953 54.5702 32.9557 172.9144 96 P 4.2680 0.0000 0.0000 65.5143 31.1456 176.8685 97 Q 4.5733 8.2740 115.9380 55.2212 28.9670 175.5620 98 G 3.8991 7.8567 107.1536 46.6045 0.0000 174.6024 99 S 4.2555 8.6215 118.0635 59.1191 63.5672 174.5026 100 V 4.1565 7.4986 120.9290 60.8144 31.9562 175.2503 101 E 3.8658 8.9915 129.3525 59.4046 29.5010 178.4795 102 E 3.6750 8.0488 117.4277 58.7719 29.7135 177.0163 103 F 5.0169 8.0629 115.1465 57.1609 40.5779 175.6398 104 R 4.6023 7.8331 121.3119 56.1755 29.5619 175.3156 105 Q 4.5966 8.0343 122.5549 55.7108 30.6385 173.8272 106 V 4.2172 8.4625 113.5847 61.3055 32.9713 175.0245 107 C 4.6613 8.2226 116.1493 57.5549 32.7203 173.2392 108 D 4.5267 8.5161 117.2247 54.6882 40.9666 177.6809 109 C 4.4000 7.7924 112.7171 58.0247 30.7482 173.5694 110 R 4.2831 7.8223 122.2535 55.2462 29.5688 175.5400 111 K 4.7427 8.8864 125.4302 55.4018 32.5805 175.9241 112 P 4.5129 0.0000 0.0000 64.5839 31.6799 176.1716 113 H 4.4269 8.2268 118.5739 55.6624 29.2523 173.9064 114 P 4.5976 0.0000 0.0000 62.7117 31.6939 177.3250 115 G 3.6591 7.7598 109.4922 47.4623 0.0000 175.3213 *117 L 3.8797 7.9769 121.3088 54.3611 43.7771 179.3152 118 L 3.9058 7.8881 118.4116 57.7857 41.3965 179.6276 119 S 4.1080 8.2404 115.1933 61.5912 62.7298 176.6072 120 A 4.2917 7.3792 124.1242 54.5046 18.1336 179.2510 121 R 3.9357 8.2099 117.4753 59.9147 29.9243 178.5181 122 D 4.3123 8.0250 117.0076 57.5535 40.9333 177.8631 123 Y 4.2677 8.3347 119.1624 59.9388 38.9533 177.0161 124 L 4.3321 7.9881 116.3182 53.1654 43.9763 176.0577 125 H 4.0223 7.5814 115.8052 56.6999 25.7238 173.5087 126 I 4.8175 7.8389 119.4241 59.7855 37.5786 176.2435 127 D 4.5357 8.9776 124.5432 53.4290 42.0358 176.5645 *129 A 4.3550 8.2974 122.3173 51.7443 20.2044 177.7905 130 A 4.5137 8.0312 116.1415 52.3334 19.3031 176.6571 131 S 5.0680 7.3225 113.1479 58.0479 66.1302 171.9407 132 Y 5.4750 8.4918 117.8756 55.9557 41.9544 174.6269 *134 V 4.3267 8.3852 120.7175 64.1611 33.3492 176.1895 135 G 4.7443 8.6558 113.7255 45.8280 0.0000 172.9048 136 D 5.0803 8.6326 117.1044 52.7223 40.4916 176.0113 137 K 4.7015 8.0673 119.3720 54.1758 35.6850 176.7887 138 L 3.9538 8.7055 122.8970 58.2882 42.3283 178.1127 139 E 4.0563 8.3772 116.0809 59.7203 29.4945 178.9417 140 D 4.3465 7.9864 115.7514 54.9867 40.4170 177.9958 *142 Q 4.1754 8.2179 120.5514 55.9858 30.9305 177.5438 143 A 4.3043 8.2946 120.6327 54.5009 18.2714 179.5726 144 A 3.7668 7.8776 119.2540 55.4074 18.3735 180.3539 145 V 3.5292 7.6711 110.2408 64.3986 31.4549 178.5190 146 A 4.0432 7.8988 119.4503 54.0920 18.2121 178.4444 147 A 4.3433 7.3464 117.0814 51.0730 19.2792 176.3123 148 N 4.0924 7.6378 115.0161 54.8504 37.9126 174.3738 149 V 3.7487 7.5792 116.4644 61.8191 32.1195 176.2369 150 G 3.6199 8.5631 115.7940 47.6714 0.0000 173.7502 151 T 4.3164 7.4295 116.0726 61.2920 72.4227 173.4396 152 K 4.4141 9.4914 126.8788 54.8835 34.0878 175.5493 153 V 4.8793 8.2950 125.5983 61.1159 33.9486 174.1658 154 L 5.2433 9.0315 128.3044 53.5466 43.7944 176.0782 155 V 5.5335 8.3721 114.8099 58.7896 35.0402 175.6344 156 R 4.6757 8.2255 119.7229 56.4346 30.4526 177.4460 157 T 4.3625 8.1400 108.1454 62.1432 70.3332 175.2213 158 G 4.1126 7.2263 111.2924 44.8832 0.0000 175.1348 159 K 3.7832 8.6483 122.7612 56.0426 32.3443 174.6412 160 P 4.3681 0.0000 0.0000 62.0752 31.8371 176.6361 161 I 3.9168 8.2374 116.5894 61.1114 38.4330 175.7651 162 T 4.5639 7.9616 111.6315 59.8238 72.1029 173.9365 163 P 4.4925 0.0000 0.0000 65.4781 31.4458 179.0015 164 E 3.9352 8.1423 117.2242 59.2169 29.2485 178.8948 165 A 4.0045 7.9182 119.7615 55.1957 18.8888 179.1049 166 E 4.0855 8.2048 117.0795 59.8279 29.3441 179.4002 167 N 4.3620 8.2902 115.1987 55.9644 38.6883 176.5224 168 A 4.2701 7.7991 119.0754 51.9139 19.3129 177.0657 169 A 4.5441 6.9102 119.7390 51.0262 20.7016 177.0726 170 D 4.6961 8.7563 120.4434 56.1585 41.6878 177.3303 171 W 5.3265 8.0430 116.3263 54.7693 33.7329 174.5439 172 V 4.8678 8.6078 121.5835 61.3415 33.2936 174.5988 173 L 4.8765 9.3419 127.6208 52.8279 45.1620 177.4409 174 N 4.4551 8.7781 117.8398 56.5587 39.7700 175.2434 175 S 4.7547 7.9607 109.4212 55.7723 65.9657 175.1343 176 L 4.2303 8.5354 125.2725 58.0372 41.4323 178.9083 177 A 4.0502 7.9000 120.1875 54.9468 18.5966 178.4318 178 D 4.5661 8.5626 115.8551 55.0394 41.1922 178.2735 179 L 4.0076 7.7578 122.2179 57.7127 42.0405 177.0366 180 P 4.2418 0.0000 0.0000 65.7280 31.4322 178.5936 181 Q 3.9966 8.0555 116.1399 58.8879 28.4558 178.5033 182 A 3.8498 7.7123 120.7986 55.1657 18.6654 179.4884 183 I 4.2848 8.2944 118.8273 64.5198 36.9608 178.7726 184 K 4.1201 8.0175 118.5504 59.2682 31.9207 178.8864 185 K 4.2824 7.6961 114.7949 57.2055 31.7667 177.1415 186 Q 4.2785 7.9397 124.7166 56.1646 28.8269 175.5556 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 8.32 4.63 0.00 3.91 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 7.91 4.51 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 0.85 0.00 0.00 0.92 0.00 0.00 6 P 0.00 5.02 0.00 2.52 2.32 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.80 0.00 7 A 9.61 5.39 0.78 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 0.00 0.00 8 I 8.39 4.64 1.73 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.79 0.82 0.00 0.00 9 F 9.20 5.05 0.00 3.06 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 10 L 9.04 5.03 0.00 1.63 1.60 0.97 1.17 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 11 D 9.10 4.70 0.00 2.78 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 12 R 8.73 4.43 0.00 2.04 1.92 0.00 3.58 0.00 0.00 3.60 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.83 0.00 13 D 7.18 4.83 0.00 2.70 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 14 G 9.19 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.79 4.43 4.48 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 1.26 0.00 0.00 16 I 8.44 4.13 2.09 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.93 1.28 0.00 0.00 17 N 7.39 5.10 0.00 1.73 1.42 0.00 0.00 5.83 7.68 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 18 V 7.72 3.51 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 0.51 0.00 0.00 0.89 0.00 0.00 19 D 8.18 4.49 0.00 2.66 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 20 H 8.08 4.29 0.00 3.13 3.30 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.71 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 0.00 0.00 0.00 22 Y 8.22 3.90 0.00 3.27 3.27 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 23 V 7.67 3.66 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 0.83 0.00 0.00 0.87 0.00 0.00 24 H 8.33 4.51 0.00 2.40 1.51 0.00 5.52 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.52 4.51 0.00 1.79 1.65 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 2.05 1.81 0.00 26 I 8.19 2.78 1.37 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.34 -0.38 0.00 0.00 27 D 7.73 4.42 0.00 2.68 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 28 N 8.11 4.72 0.00 2.69 2.80 0.00 0.00 6.76 7.30 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 29 F 7.98 4.30 0.00 2.72 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 30 E 7.90 4.75 0.00 2.06 1.66 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 2.29 2.36 0.00 31 F 9.10 4.84 0.00 3.11 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 32 I 9.00 3.99 2.01 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 1.20 0.57 0.94 0.00 0.00 33 D 8.82 4.49 0.00 2.68 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 34 G 8.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 3.78 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 0.88 0.00 0.00 1.18 0.00 0.00 36 I 7.76 3.79 1.70 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.04 0.74 0.00 0.00 37 D 8.21 4.41 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.89 4.11 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 *40 R 8.13 4.18 0.00 1.85 2.12 0.00 3.17 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 41 E 8.26 3.98 0.00 1.97 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 2.34 2.35 0.00 42 L 8.36 4.32 0.00 1.76 1.75 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.11 4.24 0.00 1.92 1.88 0.00 2.04 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.38 7.81 44 K 8.05 4.06 0.00 1.76 1.99 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.39 7.81 *46 G 8.09 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 47 F 7.85 4.79 0.00 3.12 2.93 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 0.00 0.00 0.00 48 A 9.09 4.49 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 49 L 9.87 5.06 0.00 1.53 1.55 0.93 -0.08 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 50 V 8.46 4.86 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 1.33 0.00 0.00 0.79 0.00 0.00 51 V 8.89 4.51 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0.00 0.00 0.00 0.00 *129 A 8.30 4.36 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 0.00 130 A 8.03 4.51 1.47 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 0.00 131 S 7.32 5.07 0.00 3.95 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 0.00 132 Y 8.49 5.48 0.00 2.65 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 *134 V 8.39 4.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.97 0.00 0.00 135 G 8.66 4.74 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 0.00 0.00 0.00 136 D 8.63 5.08 0.00 2.61 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 K 8.07 4.70 0.00 1.93 1.69 0.00 1.67 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.33 7.81 138 L 8.71 3.95 0.00 1.57 1.70 0.91 0.91 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 0.00 139 E 8.38 4.06 0.00 2.24 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 0.00 2.36 2.35 0.00 140 D 7.99 4.35 0.00 2.90 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 *142 Q 8.22 4.18 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 143 A 8.29 4.30 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.88 3.77 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 0.00 145 V 7.67 3.53 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 1.01 0.00 0.00 0.90 0.00 0.00 146 A 7.90 4.04 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 0.00 147 A 7.35 4.34 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 7.64 4.09 0.00 2.77 2.87 0.00 0.00 7.04 9.06 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 0.00 149 V 7.58 3.75 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 0.82 0.00 0.00 0.72 0.00 0.00 150 G 8.56 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 0.00 0.00 0.00 151 T 7.43 4.32 3.05 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 -0.07 0.00 0.00 152 K 9.49 4.41 0.00 1.64 1.68 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.32 7.81 153 V 8.30 4.88 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 1.24 0.00 0.00 0.95 0.00 0.00 154 L 9.03 5.24 0.00 1.85 1.60 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 155 V 8.37 5.53 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 0.91 0.00 0.00 0.96 0.00 0.00 156 R 8.23 4.68 0.00 1.82 1.93 0.00 3.35 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 157 T 8.14 4.36 4.23 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 1.29 0.00 0.00 158 G 7.23 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 0.00 0.00 0.00 159 K 8.65 3.78 0.00 1.79 1.79 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.80 7.81 160 P 0.00 4.37 0.00 2.04 1.99 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 161 I 8.24 3.92 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.53 0.97 0.00 0.00 162 T 7.96 4.56 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 0.00 163 P 0.00 4.49 0.00 2.18 2.14 0.00 3.60 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 2.11 2.17 0.00 164 E 8.14 3.94 0.00 2.05 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 2.39 2.43 0.00 165 A 7.92 4.00 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 0.00 166 E 8.20 4.09 0.00 2.25 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 2.36 2.37 0.00 167 N 8.29 4.36 0.00 2.84 2.89 0.00 0.00 7.03 8.15 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 0.00 168 A 7.80 4.27 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 0.00 169 A 6.91 4.54 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 0.00 170 D 8.76 4.70 0.00 2.36 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 W 8.04 5.33 0.00 3.30 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 0.00 172 V 8.61 4.87 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.00 0.00 0.00 173 L 9.34 4.88 0.00 1.63 1.55 1.06 0.59 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 0.00 174 N 8.78 4.46 0.00 2.89 2.87 0.00 0.00 6.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 S 7.96 4.75 0.00 3.86 3.65 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 0.00 176 L 8.54 4.23 0.00 1.83 1.69 0.92 1.11 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 0.00 177 A 7.90 4.05 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 0.00 178 D 8.56 4.57 0.00 2.72 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 0.00 179 L 7.76 4.01 0.00 1.79 1.72 1.03 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 180 P 0.00 4.24 0.00 2.20 2.09 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 181 Q 8.06 4.00 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 182 A 7.71 3.85 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 I 8.29 4.28 2.03 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.96 1.14 0.00 0.00 184 K 8.02 4.12 0.00 1.92 1.90 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.62 7.81 185 K 7.70 4.28 0.00 1.69 1.80 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.59 7.81 186 Q 7.94 4.28 0.00 2.54 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.55 0.00 0.00 0.00 0.00 0.00 2.61 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.