NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 C 4.6918 8.3133 120.6993 56.4736 45.9554 176.0324 *17 D 4.7633 9.1366 116.7263 53.6557 41.3687 176.2090 18 N 4.9429 8.8580 118.6885 52.4215 39.6935 174.5701 19 F 4.4857 7.4391 112.7448 58.2756 39.7293 176.1868 20 P 4.3717 0.0000 0.0000 65.5164 31.4107 177.7088 21 Q 4.3493 7.6561 119.1008 56.3292 29.0199 177.8134 *23 L 4.2498 8.1226 116.7125 54.4989 43.7768 179.3466 24 R 3.9487 7.7854 117.6480 59.6433 29.7424 178.2811 25 D 4.3051 8.3489 118.7900 57.1510 40.8807 178.4348 26 L 3.9497 7.7657 120.3088 58.1466 42.1606 179.0020 27 R 3.9959 8.6204 118.2282 59.5988 29.8712 178.6824 28 D 4.3855 8.5458 117.3794 57.5433 40.9295 178.6509 29 A 4.1363 8.3106 121.2090 54.9158 18.2312 179.5430 30 F 4.3705 8.2294 119.6857 61.4001 39.3517 177.4801 31 S 3.9377 8.1112 112.4272 60.7556 62.7365 176.0925 32 R 4.1304 7.3788 120.8867 57.9818 30.0037 177.2881 33 V 4.4648 7.7475 109.9407 59.8434 34.1931 177.1022 34 K 3.4667 7.7852 122.5415 59.9953 31.7218 178.8514 35 T 3.9726 7.7137 113.7850 66.0220 68.2251 176.3378 36 F 3.9690 8.0513 122.4593 61.2255 39.4539 177.0804 37 F 4.2873 8.0103 117.0405 60.7431 38.7709 177.5670 38 Q 4.2832 8.1504 113.7003 57.7087 28.4179 177.5643 39 T 4.3447 7.2802 116.4086 64.3194 69.5807 176.1710 40 K 4.4334 8.1436 119.3997 56.4686 32.8983 176.3272 41 D 4.6443 7.9199 118.2949 53.1599 39.9272 175.3602 42 E 4.3030 8.4697 124.3430 56.4876 30.2540 177.1601 43 V 4.2037 7.4252 118.4887 62.1785 32.7027 174.4997 44 D 4.9832 8.3076 122.3685 54.0202 41.9746 175.6323 45 N 4.8043 8.1418 115.1436 51.1970 39.3289 173.7980 46 L 4.3134 8.1498 121.6500 54.1651 42.9429 176.2993 47 L 4.1042 8.6607 128.4285 58.1609 42.4488 177.7688 48 L 4.3162 7.4908 119.6864 52.5842 40.3557 176.5233 49 K 4.0077 7.8569 121.9864 56.1829 33.1442 177.8559 50 E 3.9374 8.6206 120.4005 59.0963 29.4320 179.0451 51 S 4.0532 8.0762 115.2438 61.7597 62.8671 176.1978 52 L 3.8453 7.6931 122.4366 57.9617 41.4984 178.7821 53 L 3.6215 7.4172 118.9821 57.8686 42.2700 178.3576 54 E 4.0846 8.1830 118.6234 59.5076 29.4142 178.7599 55 D 4.3183 8.0368 118.8184 57.8010 40.7526 179.0360 56 F 4.1554 8.1835 116.4669 60.5222 38.9854 177.2364 57 K 4.3789 8.3281 116.1818 56.3968 32.6145 176.8878 58 G 3.9259 8.0525 109.6455 43.2771 0.0000 174.1371 59 Y 4.2516 8.2266 116.9367 60.1462 37.8708 177.6388 60 L 4.3805 7.0336 117.6181 54.9977 41.7651 178.6993 61 G 3.5218 8.6007 108.5823 48.1198 0.0000 175.2593 62 C 4.0464 8.0924 121.2142 59.3619 44.3312 175.4093 63 Q 3.8443 8.0231 120.2380 58.8083 28.4637 177.7766 64 A 4.0068 7.8319 121.1814 55.1953 18.6193 178.9685 65 L 3.7966 7.3695 117.5180 58.3083 42.2010 179.1378 66 S 4.3483 8.0583 115.0795 61.4167 62.7497 177.3400 67 E 4.3087 8.2413 119.0257 56.9381 29.0131 179.0351 *69 I 4.2623 7.7359 121.8639 61.7229 39.5372 178.0864 70 Q 4.0250 8.5549 119.3947 59.0443 28.4891 178.2624 71 F 4.2875 8.7177 121.8938 61.9611 39.0782 176.7160 72 Y 3.5699 8.0535 115.1221 61.1382 37.6010 178.7344 73 L 4.0623 8.0692 118.3327 57.3078 41.7396 178.6576 74 E 4.3684 8.5103 117.2912 58.6677 30.6952 177.1812 75 E 4.2050 8.4103 118.7050 57.6781 29.9163 177.9249 76 V 3.2532 6.4414 117.2297 64.5259 31.9095 176.1577 *78 P 4.7319 0.0000 0.0000 63.5732 33.0877 178.5660 79 Q 4.0174 7.7459 114.7720 58.9629 28.6389 179.1012 80 A 4.1876 7.8740 121.2226 55.3733 18.5037 179.3803 81 E 3.9192 8.3078 116.3685 58.8459 29.3454 177.9296 82 N 4.9802 7.9575 115.6693 52.8739 40.2495 175.5426 83 Q 4.4987 8.4615 120.2460 56.6538 32.6605 174.3360 84 D 4.7108 7.7496 116.9567 51.6717 42.6150 173.4360 85 P 4.2542 0.0000 0.0000 65.4420 31.7233 178.5549 86 E 3.7369 7.9713 116.4542 59.6276 29.5667 178.5186 87 I 4.0129 6.9649 110.4007 60.6415 37.7826 177.0120 88 K 3.8218 8.1603 124.0770 60.4307 31.8623 178.2083 89 D 4.3160 7.9526 117.3976 57.6112 41.3008 177.7283 90 H 4.3105 7.9598 116.4252 58.7832 28.8062 177.7665 91 V 3.6998 8.6303 121.1294 65.8815 31.3137 177.6494 92 N 4.4936 8.2011 118.2202 56.3553 38.8435 176.9247 93 S 4.1287 8.4762 116.9935 61.5963 62.8252 176.6290 94 L 4.0792 7.9777 122.6199 58.0258 41.9024 179.1087 95 G 3.6913 8.0729 105.7268 48.0006 0.0000 175.4600 96 E 4.0169 8.4057 121.0497 59.2474 29.6256 179.1680 97 N 4.3416 8.0643 115.9588 55.8999 38.4694 177.2080 98 L 3.9921 7.6156 121.6293 57.7641 42.3129 178.8276 99 K 3.9391 8.0432 118.3995 59.7926 31.9561 179.0927 100 T 3.8372 8.1668 116.2408 66.9173 68.2462 176.2557 101 L 3.9654 7.5602 120.0401 58.0425 42.1601 178.8392 102 R 4.0082 8.0310 118.7935 59.3164 30.1366 178.1315 103 L 3.9281 7.8911 118.6875 58.2525 41.4607 179.7313 104 R 3.9368 7.8396 117.2157 59.3082 29.9555 179.2443 105 L 3.9310 7.6816 118.8125 57.3078 41.7286 178.8176 106 R 4.4038 7.7901 112.0059 56.7873 30.0811 176.6534 107 R 4.2656 7.6092 117.9807 57.0661 30.3174 175.2162 108 C 4.9272 7.3280 114.3937 61.0463 42.9076 178.9450 109 H 3.4882 9.1753 113.1235 56.5931 29.5526 178.6888 110 R 3.4169 8.0326 126.6724 59.4785 32.3247 176.3184 111 F 4.2069 8.3879 115.6556 58.9964 39.6985 176.4051 112 L 4.7472 7.9979 120.3417 52.9300 41.2390 175.7167 113 P 4.7308 0.0000 0.0000 64.6278 32.1700 177.6236 114 C 4.4908 8.2463 110.4123 56.9849 41.4344 173.6024 115 E 4.4060 7.6300 118.2428 56.1353 30.3948 175.3315 116 N 4.7085 8.8710 119.9929 51.4850 38.8229 174.4685 117 K 4.3935 8.4611 123.7427 55.7479 33.7339 177.4186 118 S 4.0868 8.7200 117.4705 58.7389 63.4359 174.9612 119 K 3.9675 8.7381 129.3883 59.3747 32.1199 178.6455 120 A 3.9894 7.9579 120.7755 55.2164 18.2741 179.6069 121 V 3.5368 7.4515 115.2941 65.9812 31.5643 178.1519 122 E 3.9277 7.9026 118.3664 59.5041 29.3608 178.9311 123 Q 4.0253 8.1002 117.9759 59.3322 28.8646 179.5088 124 I 3.7227 7.8500 120.2668 64.5672 37.1963 178.6729 125 K 4.1406 8.3847 119.3898 59.5000 31.7768 179.1087 126 N 4.3106 8.3044 116.6939 56.2225 38.3596 176.9053 127 A 4.0423 8.0050 121.2934 55.5348 18.8027 179.1119 128 F 4.2899 8.7702 119.1300 61.7266 39.6404 177.1825 129 N 4.2235 8.2719 115.8942 55.5246 38.1703 176.5376 130 K 4.2589 8.3092 119.0462 57.2441 32.7263 177.3600 131 L 4.4188 7.5790 117.0711 53.7836 43.0249 177.6266 132 Q 2.8775 8.0112 118.3200 56.5741 28.7980 177.3407 133 E 3.9068 8.6586 126.9330 59.9298 29.0322 178.0116 134 K 4.2708 8.3176 118.7591 58.9591 31.9694 179.4831 135 G 3.4523 7.7506 106.6263 47.6672 0.0000 175.8443 136 I 4.0552 6.9500 120.7900 64.4921 37.0848 177.8028 137 Y 4.3615 7.7010 116.4247 60.7078 37.9589 177.4444 138 K 4.2261 7.8446 119.3758 59.3498 32.4816 178.9325 139 A 4.0961 8.3810 117.1964 53.5402 17.7015 179.0181 *141 S 4.4277 7.9664 117.0730 59.4525 65.0095 175.1506 142 E 4.5574 7.8198 118.3601 56.2128 29.3323 177.4664 143 F 4.1516 8.2466 124.2345 61.3271 39.3890 176.7513 144 D 4.3437 8.2023 118.4891 56.5900 39.2550 178.4611 145 I 3.4762 7.5691 120.7701 63.6814 36.9608 178.0385 146 F 4.1096 7.7852 121.4851 61.4557 39.1844 177.0819 147 I 3.2060 7.3057 119.3794 64.3237 36.7345 178.1154 148 N 4.2681 7.9334 117.0149 56.5239 38.4275 176.9892 149 Y 4.4481 7.6500 117.9340 61.2438 37.7751 178.4854 150 I 3.5208 7.6085 119.7126 64.4745 37.2881 177.4914 151 E 4.0459 8.4287 118.4753 59.3658 29.5142 178.2297 152 A 4.1913 8.4472 119.7026 55.5213 18.7432 178.8263 153 Y 3.8526 8.3282 117.5336 59.5481 39.5681 178.1164 *155 T 4.2242 7.7844 115.7874 63.4233 70.6952 175.2657 156 I 4.0824 7.2624 121.8528 60.2329 36.4585 176.1991 157 K 3.9978 7.4133 123.9942 56.9244 32.9024 176.5466 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 12 C 8.31 4.69 0.00 3.03 2.37 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 0.00 *17 D 9.14 4.76 0.00 2.74 2.47 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 18 N 8.86 4.94 0.00 2.62 2.65 0.00 0.00 6.85 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.44 4.49 0.00 2.96 3.01 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 20 P 0.00 4.37 0.00 2.01 1.99 0.00 3.12 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.29 0.00 21 Q 7.66 4.35 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.50 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 *23 L 8.12 4.25 0.00 2.02 1.77 1.06 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.79 3.95 0.00 1.92 2.09 0.00 3.09 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.70 0.00 25 D 8.35 4.31 0.00 2.76 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 26 L 7.77 3.95 0.00 1.75 1.83 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.62 4.00 0.00 2.04 2.04 0.00 3.23 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 28 D 8.55 4.39 0.00 2.75 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 29 A 8.31 4.14 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 30 F 8.23 4.37 0.00 3.22 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 31 S 8.11 3.94 0.00 4.01 3.98 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 32 R 7.38 4.13 0.00 2.02 1.84 0.00 2.90 0.00 0.00 2.83 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 33 V 7.75 4.46 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 1.03 0.00 0.00 1.18 0.00 0.00 34 K 7.79 3.47 0.00 1.17 1.54 0.00 1.53 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.26 7.81 35 T 7.71 3.97 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 1.18 0.00 0.00 36 F 8.05 3.97 0.00 2.98 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 37 F 8.01 4.29 0.00 3.27 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 38 Q 8.15 4.28 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.78 0.00 39 T 7.28 4.34 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 1.10 0.00 0.00 40 K 8.14 4.43 0.00 1.84 1.88 0.00 1.13 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.24 1.31 7.81 41 D 7.92 4.64 0.00 2.71 2.68 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 42 E 8.47 4.30 0.00 2.00 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 2.27 2.29 0.00 43 V 7.43 4.20 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 0.89 0.00 0.00 0.95 0.00 0.00 44 D 8.31 4.98 0.00 2.66 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 45 N 8.14 4.80 0.00 2.82 2.81 0.00 0.00 6.19 7.79 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 46 L 8.15 4.31 0.00 1.60 1.61 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.66 4.10 0.00 1.67 1.69 0.98 1.04 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 48 L 7.49 4.32 0.00 1.65 1.56 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.86 4.01 0.00 1.72 1.70 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.36 7.81 50 E 8.62 3.94 0.00 1.96 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 2.32 0.00 51 S 8.08 4.05 0.00 3.84 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 52 L 7.69 3.85 0.00 1.64 1.65 0.85 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.42 3.62 0.00 1.50 1.82 0.86 0.88 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 54 E 8.18 4.08 0.00 2.17 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 2.69 2.47 0.00 55 D 8.04 4.32 0.00 3.03 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 56 F 8.18 4.16 0.00 3.01 3.13 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 0.00 0.00 0.00 0.00 57 K 8.33 4.38 0.00 1.87 1.86 0.00 2.00 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.72 7.81 58 G 8.05 3.93 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 0.00 0.00 0.00 59 Y 8.23 4.25 0.00 3.05 3.13 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 0.00 0.00 0.00 0.00 60 L 7.03 4.38 0.00 1.43 1.64 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.60 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 62 C 8.09 4.05 0.00 2.95 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 63 Q 8.02 3.84 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.75 0.00 64 A 7.83 4.01 1.55 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 0.00 0.00 0.00 65 L 7.37 3.80 0.00 0.59 1.58 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.06 4.35 0.00 4.05 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 67 E 8.24 4.31 0.00 2.25 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 2.35 2.52 0.00 *69 I 7.74 4.26 2.06 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 1.46 0.91 0.95 0.00 0.00 70 Q 8.55 4.03 0.00 2.40 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 71 F 8.72 4.29 0.00 3.12 3.09 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 72 Y 8.05 3.57 0.00 3.04 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 73 L 8.07 4.06 0.00 1.76 1.76 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.51 4.37 0.00 1.94 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 2.29 2.53 0.00 75 E 8.41 4.21 0.00 1.69 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 2.31 2.38 0.00 76 V 6.44 3.25 1.71 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 0.83 0.00 0.00 -0.53 0.00 0.00 *78 P 0.00 4.73 0.00 2.32 2.11 0.00 3.94 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 79 Q 7.75 4.02 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 80 A 7.87 4.19 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 81 E 8.31 3.92 0.00 2.03 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 2.54 2.45 0.00 82 N 7.96 4.98 0.00 2.70 2.82 0.00 0.00 6.69 7.81 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 83 Q 8.46 4.50 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.53 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 84 D 7.75 4.71 0.00 2.72 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 85 P 0.00 4.25 0.00 2.16 2.09 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 86 E 7.97 3.74 0.00 1.79 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 2.41 2.43 0.00 87 I 6.96 4.01 1.55 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.49 0.00 0.00 88 K 8.16 3.82 0.00 1.79 1.90 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.56 7.81 89 D 7.95 4.32 0.00 2.80 2.59 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 0.00 0.00 0.00 0.00 90 H 7.96 4.31 0.00 3.32 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.63 3.70 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 1.06 0.00 0.00 1.08 0.00 0.00 92 N 8.20 4.49 0.00 3.04 3.00 0.00 0.00 6.81 7.15 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 93 S 8.48 4.13 0.00 4.00 3.92 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 94 L 7.98 4.08 0.00 1.85 1.93 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.07 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.41 4.02 0.00 2.14 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 2.34 2.50 0.00 97 N 8.06 4.34 0.00 2.95 2.88 0.00 0.00 6.68 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 98 L 7.62 3.99 0.00 1.71 1.82 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.04 3.94 0.00 1.99 1.85 0.00 2.14 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.73 7.81 100 T 8.17 3.84 4.41 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 1.20 0.00 0.00 101 L 7.56 3.97 0.00 1.72 1.91 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.03 4.01 0.00 2.02 2.14 0.00 3.50 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 103 L 7.89 3.93 0.00 1.84 1.70 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 104 R 7.84 3.94 0.00 1.75 1.94 0.00 3.27 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 105 L 7.68 3.93 0.00 1.89 1.72 0.94 0.94 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 0.00 106 R 7.79 4.40 0.00 1.97 2.14 0.00 3.03 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.60 0.00 107 R 7.61 4.27 0.00 1.91 2.06 0.00 3.18 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 108 C 7.33 4.93 0.00 2.91 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 0.00 109 H 9.18 3.49 0.00 3.33 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.03 3.42 0.00 1.85 1.85 0.00 3.23 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 1.39 1.50 0.00 111 F 8.39 4.21 0.00 3.21 3.01 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 0.00 112 L 8.00 4.75 0.00 1.84 1.59 1.08 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.73 0.00 2.19 2.11 0.00 3.87 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 114 C 8.25 4.49 0.00 3.08 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 7.63 4.41 0.00 1.99 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 2.23 2.23 0.00 116 N 8.87 4.71 0.00 2.90 2.79 0.00 0.00 6.74 5.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.46 4.39 0.00 1.87 1.82 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.43 7.81 118 S 8.72 4.09 0.00 3.91 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 0.00 119 K 8.74 3.97 0.00 1.87 1.79 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.21 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.51 7.81 120 A 7.96 3.99 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 0.00 121 V 7.45 3.54 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 1.08 0.00 0.00 0.92 0.00 0.00 122 E 7.90 3.93 0.00 2.15 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 2.50 2.50 0.00 123 Q 8.10 4.03 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 124 I 7.85 3.72 1.99 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 1.55 0.78 0.90 0.00 0.00 125 K 8.38 4.14 0.00 1.92 1.90 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.78 7.81 126 N 8.30 4.31 0.00 3.02 2.88 0.00 0.00 6.76 6.57 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 0.00 127 A 8.00 4.04 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 0.00 128 F 8.77 4.29 0.00 3.09 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.27 4.22 0.00 2.95 2.83 0.00 0.00 6.72 7.01 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 0.00 130 K 8.31 4.26 0.00 1.69 1.94 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 131 L 7.58 4.42 0.00 1.79 1.66 0.96 0.93 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 0.00 132 Q 8.01 2.88 0.00 2.19 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 133 E 8.66 3.91 0.00 2.00 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 2.42 2.33 0.00 134 K 8.32 4.27 0.00 2.09 1.87 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.55 7.81 135 G 7.75 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 0.00 136 I 6.95 4.06 1.51 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.44 0.74 0.00 0.00 137 Y 7.70 4.36 0.00 3.15 2.97 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 0.00 138 K 7.84 4.23 0.00 1.81 2.13 0.00 1.97 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.58 7.81 139 A 8.38 4.10 1.37 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 0.00 0.00 0.00 *141 S 7.97 4.43 0.00 4.15 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 E 7.82 4.56 0.00 2.05 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 2.27 2.46 0.00 143 F 8.25 4.15 0.00 3.20 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 0.00 144 D 8.20 4.34 0.00 2.92 2.97 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 0.00 145 I 7.57 3.48 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.44 0.33 0.00 0.00 146 F 7.79 4.11 0.00 2.72 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 0.00 147 I 7.31 3.21 1.82 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.37 0.79 0.00 0.00 148 N 7.93 4.27 0.00 2.84 2.84 0.00 0.00 7.02 7.00 0.00 0.00 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 Y 7.65 4.45 0.00 3.13 2.95 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 0.00 150 I 7.61 3.52 1.74 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.30 0.75 0.00 0.00 151 E 8.43 4.05 0.00 1.99 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 152 A 8.45 4.19 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 8.33 3.85 0.00 2.96 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *155 T 7.78 4.22 4.44 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 1.18 0.00 0.00 156 I 7.26 4.08 1.75 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 1.22 0.55 0.79 0.00 0.00 157 K 7.41 4.00 0.00 1.56 1.51 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.28 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.09 1.10 7.81 * Residues marked with a * may have inaccurate shift predictions.