NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9793 8.3549 109.7038 45.6833 0.0000 173.0675 3 Y 4.6463 7.9545 131.1384 56.9801 36.8137 176.0058 *5 F 4.7220 9.3017 131.7830 59.2776 41.9054 172.9651 6 I 4.8104 8.1643 127.2324 59.4001 39.7856 174.0526 7 E 4.7613 8.9797 128.7443 54.5104 31.3274 175.0451 8 T 4.9108 8.7600 116.7306 59.6994 72.4525 172.8623 9 K 4.7772 8.9135 124.4947 55.1805 35.3612 174.9282 10 T 4.7947 8.5717 125.7099 62.0627 70.4748 173.9018 11 F 5.0481 9.2544 127.3269 56.4945 40.7943 175.3156 12 T 4.9425 8.8723 121.9372 62.7282 69.9733 174.6963 13 V 5.0037 8.8489 118.6473 59.1926 36.9187 175.1273 14 K 4.4025 8.9238 121.6689 55.9639 33.2489 176.7123 15 E 4.0998 8.7721 123.4774 58.4190 29.7032 177.5091 16 G 3.9864 9.8145 114.7435 46.1521 0.0000 174.1837 17 T 4.5177 7.8566 109.2603 61.1305 69.3602 175.7122 18 S 4.1373 8.1532 118.7468 62.1607 62.6774 176.0178 19 N 4.3718 8.1851 119.5612 56.1640 38.6141 176.7397 20 I 3.6445 7.6747 121.6410 64.2124 37.0862 178.3740 21 V 3.5492 7.6898 118.6660 65.8836 31.1893 178.0308 22 V 3.6233 7.3270 116.3367 66.0258 31.7279 177.2972 23 E 4.0577 8.4264 119.2326 59.3255 29.5847 178.5055 24 R 3.8075 8.0956 118.7210 59.0167 29.7408 177.4242 25 F 4.9981 7.6486 115.3416 55.6070 39.4386 175.1789 26 T 4.4830 7.9565 116.5103 61.6247 69.8354 173.5906 27 G 4.2338 8.8005 111.2289 42.7276 0.0000 172.9116 28 E 4.3063 8.6630 121.5499 56.1736 30.6707 176.1852 29 G 4.5265 8.9668 113.9831 44.4937 0.0000 171.8045 30 I 4.2300 8.3650 117.5998 62.4134 39.1282 177.5447 31 I 2.4044 7.7216 120.5180 63.5017 37.5945 177.0190 32 E 2.0000 7.2933 115.4091 57.0467 29.5132 177.1264 33 K 4.2624 7.6023 118.4078 56.2190 33.0529 176.0894 34 F 4.4769 7.7263 122.9182 56.4786 40.2989 174.4626 35 E 4.0708 7.4627 128.2537 57.9355 29.9044 177.0032 36 G 4.2716 9.1620 114.5170 45.1859 0.0000 172.9325 37 F 3.8899 8.1001 122.3467 58.3590 39.6492 173.7971 38 I 4.2401 7.0977 129.0027 61.9043 37.8220 175.3390 39 D 4.2026 6.2332 118.3139 52.2842 42.5867 172.9400 40 L 4.9790 8.4101 120.6971 53.3800 44.4362 175.7675 41 S 4.5539 8.4514 120.4335 56.6761 66.5432 172.8001 42 V 4.5248 8.3988 124.5792 61.4416 32.6630 174.6684 43 L 4.5740 8.9755 129.6901 53.1885 43.5232 175.8310 44 V 4.6041 8.2160 124.7209 60.7645 32.6339 175.2974 45 K 4.0901 8.9253 131.0499 56.1670 32.9171 176.4699 46 K 4.1853 8.6376 128.4819 56.0944 32.0828 176.2784 47 V 4.5441 7.9584 119.2354 59.4066 35.0303 176.3083 48 R 4.0512 8.7720 123.5681 58.8594 30.1859 176.5167 49 R 4.4263 7.6498 109.8794 55.6729 32.0107 173.6462 50 G 3.8264 8.5366 103.7375 44.5214 0.0000 172.5736 51 D 4.5644 8.4350 119.1573 54.8009 41.6379 176.1238 52 E 4.7254 9.0566 121.4484 54.9711 32.9036 174.5262 53 E 5.1193 8.4644 120.7482 54.6610 33.4035 173.9471 54 V 4.8839 9.2291 126.8892 61.1631 34.6738 173.9932 55 V 4.7114 8.8429 128.7438 61.4535 33.4214 175.6560 56 V 4.5231 8.5050 128.5041 60.9526 34.2165 174.3229 *58 I 4.1081 7.9794 121.5030 61.2035 38.5405 175.1043 59 R 4.7165 8.3304 126.9973 54.4030 31.8978 175.6935 60 W 5.3035 8.8680 123.0191 54.7330 32.0247 175.7303 61 E 4.4116 9.8068 123.4289 59.6158 29.8250 177.1415 62 S 4.9379 8.1098 111.6173 55.9906 65.8466 174.9999 63 E 2.6649 8.8122 121.1501 59.0614 29.1133 178.4622 64 E 3.9102 8.2015 117.8891 59.4400 29.5354 179.1154 65 A 4.1551 7.9381 120.1460 54.9566 18.5271 179.4466 66 W 2.5498 7.6900 126.5449 60.0401 30.4428 178.1503 67 K 3.2672 8.0163 118.8768 58.8575 31.8486 178.3895 68 N 4.4579 8.3979 117.5128 56.1288 38.5699 176.9742 69 W 3.2445 7.8572 129.5814 60.2702 30.3726 177.6286 70 E 3.6003 7.3277 117.2661 58.3409 28.8642 178.4210 71 T 3.9277 7.2117 108.3405 61.9223 69.4995 174.9046 72 S 4.1575 6.5463 116.8545 58.3067 62.8780 173.4676 73 E 4.2003 8.4649 123.7690 56.8506 29.5961 176.6202 74 E 4.6167 7.5100 117.5235 56.2534 29.8039 175.8187 75 H 4.6794 7.7790 116.4635 55.7592 29.5761 174.7934 76 L 4.8557 8.4523 121.6660 52.3753 45.3251 175.9412 77 A 4.1087 8.4683 124.8985 53.3511 18.8704 178.6911 78 G 3.0865 8.5240 108.9249 44.7362 0.0000 173.2992 79 H 4.3179 7.9210 115.8004 55.8394 26.9406 174.1938 80 R 5.4726 7.7157 110.6009 55.6146 32.6013 173.5498 81 A 4.5149 8.3640 120.6665 51.4433 20.8280 177.0966 82 G 3.8041 8.4732 105.8896 44.2986 0.0000 172.8360 83 R 4.1573 8.0350 117.2891 56.8989 31.0918 177.1172 84 G 4.1279 8.0163 102.2020 45.8795 0.0000 173.1096 85 K 4.0661 7.6880 135.0000 55.7074 37.6730 177.1322 86 P 4.5443 0.0000 0.0000 60.8179 30.2997 174.2194 87 K 4.4561 8.0580 124.2817 54.1717 33.7512 175.3177 88 P 4.6039 0.0000 0.0000 63.8044 31.9622 178.4100 89 D 4.3799 7.7018 118.8754 57.8117 40.8685 177.3016 90 H 4.5306 8.2279 112.6009 56.6927 29.3122 174.4725 91 I 4.2652 7.1810 122.0633 61.2987 37.2943 175.4744 92 I 4.2970 8.9230 127.7796 62.8542 38.5059 175.7300 93 N 5.0326 7.8560 118.5616 52.1008 42.6865 173.1130 94 V 4.5274 8.3291 123.7940 61.2289 34.0745 173.8297 95 D 5.0756 8.8143 126.9258 52.6807 44.9530 173.7371 96 H 5.3700 8.5275 119.7402 54.6054 33.1787 171.9531 97 A 4.5708 8.5544 124.4838 50.5912 22.9073 175.3443 98 V 4.4030 7.5656 111.3085 59.6356 35.5697 174.9060 99 Y 4.4927 7.6080 119.0591 56.5471 42.5183 173.7414 100 Y 4.8119 8.3862 120.5368 56.7980 39.5690 176.0894 101 V 3.8312 8.6106 124.3286 62.2322 30.4731 175.4735 102 K 3.6825 8.1069 125.6910 56.6978 32.7301 177.0259 103 S 4.6506 7.4337 111.7836 57.3809 65.0931 172.7687 104 S 4.6532 8.2159 118.6668 57.7953 65.1677 173.9933 105 K 4.4974 8.2575 118.6038 55.6206 34.9266 175.3548 106 A 4.5553 8.2556 123.8996 49.8105 21.2120 176.3146 107 A 4.0401 8.4286 121.7788 52.7285 18.6840 177.3793 108 Y 4.2563 8.5080 122.6851 57.9378 39.6199 175.8745 109 Q 3.8296 7.0744 124.8009 56.2519 29.4301 174.4959 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 G 8.35 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 0.00 0.00 0.00 3 Y 7.95 4.65 0.00 3.37 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *5 F 9.30 4.72 0.00 3.32 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.16 4.81 1.71 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 1.04 0.54 0.76 0.00 0.00 7 E 8.98 4.76 0.00 1.79 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 2.28 2.08 0.00 8 T 8.76 4.91 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 1.15 0.00 0.00 9 K 8.91 4.78 0.00 1.88 1.67 0.00 1.82 0.00 0.00 1.99 0.00 0.00 3.17 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.76 1.23 7.81 10 T 8.57 4.79 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 1.19 0.00 0.00 11 F 9.25 5.05 0.00 3.06 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 12 T 8.87 4.94 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 1.24 0.00 0.00 13 V 8.85 5.00 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 0.83 0.00 0.00 0.99 0.00 0.00 14 K 8.92 4.40 0.00 1.75 1.75 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.59 7.81 15 E 8.77 4.10 0.00 2.07 1.90 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 2.31 2.35 0.00 16 G 9.81 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 17 T 7.86 4.52 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 18 S 8.15 4.14 0.00 4.07 4.33 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 19 N 8.19 4.37 0.00 2.85 2.85 0.00 0.00 7.23 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.67 3.64 1.76 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.63 0.74 0.00 0.00 21 V 7.69 3.55 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 0.72 0.00 0.00 0.82 0.00 0.00 22 V 7.33 3.62 2.39 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 0.88 0.00 0.00 0.96 0.00 0.00 23 E 8.43 4.06 0.00 2.05 2.09 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 2.28 2.30 0.00 24 R 8.10 3.81 0.00 1.96 2.10 0.00 3.02 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.43 0.00 25 F 7.65 5.00 0.00 3.09 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 26 T 7.96 4.48 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 1.23 0.00 0.00 27 G 8.80 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 0.00 0.00 0.00 0.00 28 E 8.66 4.31 0.00 2.01 1.82 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 2.36 2.38 0.00 29 G 8.97 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.37 4.23 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 1.14 0.00 0.00 31 I 7.72 2.40 1.42 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.36 0.54 0.00 0.00 32 E 7.29 2.00 0.00 1.68 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 2.04 2.12 0.00 33 K 7.60 4.26 0.00 1.89 1.88 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.26 7.81 34 F 7.73 4.48 0.00 3.20 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 35 E 7.46 4.07 0.00 1.64 1.54 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 2.24 2.39 0.00 36 G 9.16 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 0.00 0.00 0.00 0.00 37 F 8.10 3.89 0.00 2.64 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.10 4.24 1.68 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 1.24 0.64 0.79 0.00 0.00 39 D 6.23 4.20 0.00 2.60 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 40 L 8.41 4.98 0.00 1.78 1.71 1.18 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.45 4.55 0.00 3.79 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 42 V 8.40 4.52 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 0.79 0.00 0.00 0.97 0.00 0.00 43 L 8.98 4.57 0.00 1.76 1.54 0.87 0.54 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 44 V 8.22 4.60 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 0.77 0.00 0.00 0.94 0.00 0.00 45 K 8.93 4.09 0.00 1.77 1.70 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.38 7.81 46 K 8.64 4.19 0.00 1.75 1.72 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.45 7.81 47 V 7.96 4.54 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 0.81 0.00 0.00 0.94 0.00 0.00 48 R 8.77 4.05 0.00 1.80 1.99 0.00 3.24 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 49 R 7.65 4.43 0.00 1.87 1.90 0.00 3.19 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 50 G 8.54 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 51 D 8.43 4.56 0.00 2.59 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 52 E 9.06 4.73 0.00 1.93 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 2.26 2.25 0.00 53 E 8.46 5.12 0.00 2.00 1.74 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 2.28 2.30 0.00 54 V 9.23 4.88 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 1.00 0.00 0.00 0.97 0.00 0.00 55 V 8.84 4.71 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 0.79 0.00 0.00 0.91 0.00 0.00 56 V 8.50 4.52 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 0.94 0.00 0.00 0.13 0.00 0.00 *58 I 7.98 4.11 2.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.61 0.43 0.00 0.00 59 R 8.33 4.72 0.00 1.57 1.70 0.00 2.97 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 60 W 8.87 5.30 0.00 3.53 3.37 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 61 E 9.81 4.41 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 62 S 8.11 4.94 0.00 4.04 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 63 E 8.81 2.66 0.00 1.73 1.90 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 2.24 1.64 0.00 64 E 8.20 3.91 0.00 2.08 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 2.41 2.41 0.00 65 A 7.94 4.16 1.69 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 66 W 7.69 2.55 0.00 2.60 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.02 3.27 0.00 1.68 1.67 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.14 7.81 68 N 8.40 4.46 0.00 3.23 3.37 0.00 0.00 6.53 7.28 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 69 W 7.86 3.24 0.00 2.57 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.33 3.60 0.00 1.53 1.50 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 1.47 1.47 0.00 71 T 7.21 3.93 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 72 S 6.55 4.16 0.00 3.46 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 73 E 8.46 4.20 0.00 1.95 1.90 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 2.22 2.22 0.00 74 E 7.51 4.62 0.00 2.16 2.14 0.00 0.00 0.00 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 75 H 7.78 4.68 0.00 3.01 3.25 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.45 4.86 0.00 1.75 1.66 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.47 4.11 1.21 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 78 G 8.52 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 0.00 0.00 0.00 79 H 7.92 4.32 0.00 3.48 3.41 0.00 5.63 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.72 5.47 0.00 1.94 2.04 0.00 3.06 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.46 0.00 81 A 8.36 4.51 1.25 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 0.00 0.00 82 G 8.47 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 83 R 8.03 4.16 0.00 1.80 1.91 0.00 3.24 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 84 G 8.02 4.13 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 0.00 0.00 0.00 85 K 7.69 4.07 0.00 1.66 0.97 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.36 7.81 86 P 0.00 4.54 0.00 2.19 2.07 0.00 3.49 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 87 K 8.06 4.46 0.00 1.87 1.93 0.00 1.57 0.00 0.00 1.96 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.45 7.81 88 P 0.00 4.60 0.00 2.24 2.32 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 89 D 7.70 4.38 0.00 2.80 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 90 H 8.23 4.53 0.00 3.33 3.54 0.00 5.45 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.18 4.27 2.01 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 1.24 0.15 1.03 0.00 0.00 92 I 8.92 4.30 2.04 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 1.13 0.57 0.93 0.00 0.00 93 N 7.86 5.03 0.00 2.72 2.59 0.00 0.00 6.53 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.33 4.53 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 0.54 0.00 0.00 1.03 0.00 0.00 95 D 8.81 5.08 0.00 2.81 2.39 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 96 H 8.53 5.37 0.00 3.09 3.06 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.55 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.57 4.40 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 0.00 0.00 0.03 0.00 0.00 0.61 0.00 0.00 99 Y 7.61 4.49 0.00 2.50 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 0.00 100 Y 8.39 4.81 0.00 2.78 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 0.00 101 V 8.61 3.83 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 0.84 0.00 0.00 0.91 0.00 0.00 102 K 8.11 3.68 0.00 1.57 1.55 0.00 1.64 0.00 0.00 1.33 0.00 0.00 2.56 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 1.16 7.81 103 S 7.43 4.65 0.00 3.77 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 0.00 104 S 8.22 4.65 0.00 3.97 3.78 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 0.00 105 K 8.26 4.50 0.00 1.86 1.79 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.45 7.81 106 A 8.26 4.56 1.25 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 0.00 0.00 107 A 8.43 4.04 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 0.00 108 Y 8.51 4.26 0.00 2.88 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 7.07 3.83 0.00 1.79 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.42 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.