NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7669 8.3431 109.7361 45.3018 0.0000 177.4636 *2 G 3.7270 8.5902 110.3413 43.7503 0.0000 172.4613 3 K 3.7840 8.3235 122.6667 59.0487 32.2124 179.2678 4 R 3.6887 7.7170 118.4463 59.6132 30.0663 178.1037 5 D 4.2695 7.9079 118.0711 57.3798 40.7869 178.3264 6 D 4.2211 8.1019 119.4166 57.1756 40.7224 178.8967 7 L 3.2807 7.8407 119.6217 57.6629 41.5202 179.5752 8 I 3.3476 7.2429 119.3220 64.1466 36.9931 178.3090 9 A 3.8591 7.8950 121.6347 55.1475 18.0979 179.4901 10 Q 3.8232 7.8958 118.0326 59.4484 29.0909 177.9496 11 Y 4.2694 7.7924 117.9282 61.1490 37.9294 178.5659 12 A 3.8658 8.1826 121.7757 55.1107 18.4836 179.1889 13 D 4.2360 8.1799 116.4659 57.5423 41.2815 178.0646 14 D 4.4159 8.4016 119.6673 57.4533 40.4208 178.8336 15 L 3.7937 7.8793 119.2735 57.7089 41.2215 179.7074 16 R 3.7018 8.0080 118.3451 59.4154 29.9951 177.7741 17 N 4.7093 8.5194 113.5680 53.5990 39.1095 176.0463 18 K 4.3875 8.0070 118.7206 58.2043 33.3770 177.3839 19 C 4.2525 7.4793 112.8922 59.2484 28.6143 173.0041 20 G 3.5294 7.4445 111.5420 46.1216 0.0000 171.9354 *22 E 4.0809 8.0403 115.9446 54.9927 31.2402 174.6380 23 P 4.3538 0.0000 0.0000 61.5872 32.2095 175.9750 24 D 4.5583 9.2643 122.0132 53.3445 42.6866 176.7210 *26 A 4.2570 8.3704 123.0714 52.1473 20.4961 178.8862 27 L 3.8943 8.1694 116.7132 58.2308 42.1253 178.6841 28 L 4.0202 8.3788 120.7025 58.3410 41.8543 178.5868 29 E 3.9501 8.1548 118.5476 59.2227 29.7165 178.7997 30 K 4.0168 7.8490 118.4178 59.4654 32.2477 179.5103 31 V 3.4967 7.8122 118.7900 66.2294 31.1958 178.2369 32 T 3.9421 8.1118 115.5111 66.5000 68.0747 176.6320 33 K 4.0896 8.1731 119.6341 59.7168 32.2344 179.3645 34 G 3.9382 7.9832 103.8734 47.9773 0.0000 175.2500 35 C 4.4404 7.7992 117.9850 62.5491 28.4784 173.6205 36 G 3.9090 7.2882 105.5343 42.9036 0.0000 171.2074 37 P 4.4105 0.0000 0.0000 61.7665 32.0218 175.8509 38 A 3.8598 8.3716 121.9370 52.8558 18.5610 177.0397 39 I 4.3976 7.9919 123.1687 59.8905 38.7958 175.6040 40 Y 4.1085 8.6151 123.0050 59.8639 38.5467 175.0861 41 N 4.6344 8.2385 121.0841 52.6844 38.4295 175.5237 42 R 4.0909 8.7828 125.3659 59.4830 29.4340 176.2219 43 D 4.4089 8.5088 117.6105 57.3083 40.8953 178.5175 44 A 3.8189 7.9228 120.4091 53.9461 18.7438 178.0412 45 S 4.6050 8.0792 109.3984 58.5533 63.8502 173.6236 46 T 4.9927 7.1620 111.0247 60.0759 71.2435 173.6064 47 V 4.4091 8.5098 122.7885 61.1877 33.7047 175.5471 48 A 4.1776 9.8367 130.9264 50.7917 17.9844 178.0824 49 G 3.5862 8.7284 111.4977 49.2050 0.0000 172.9063 50 S 4.4166 7.9436 111.7831 58.1356 63.7229 173.5211 51 D 4.7134 7.8488 121.7439 53.1161 41.9631 176.3953 52 T 3.8680 8.5815 124.3978 67.0805 68.5985 176.1755 53 A 3.9963 7.9813 121.7428 55.0803 18.4159 179.1405 54 E 3.9337 8.5351 117.9805 59.4134 29.7429 179.0906 55 L 4.0935 7.9270 118.8079 57.8224 41.6361 179.2925 56 E 4.0506 8.4970 118.7267 59.6465 29.3349 179.6062 57 T 3.9537 8.1531 115.9819 66.5637 68.5219 176.9509 58 I 3.8683 7.9261 121.8731 64.1092 36.9027 178.3571 59 K 3.9398 7.9737 119.6760 59.3380 32.1676 178.7435 60 K 4.0967 7.9842 117.6258 60.1544 32.8711 178.4394 61 N 4.5382 8.7151 118.2876 54.7696 38.6244 176.7744 62 F 4.2719 7.8717 121.0245 60.3937 40.0540 177.2177 63 L 3.7496 7.9493 118.5351 56.8389 40.9781 179.5360 *65 K 4.1578 7.7707 120.4096 54.3306 34.0004 182.1494 66 K 4.1124 7.2510 117.2053 58.5423 32.3655 178.4898 67 L 3.7334 7.2956 116.3311 55.2597 41.6635 178.1204 68 G 3.7616 7.8598 105.9538 45.8958 0.0000 173.5919 69 L 4.0498 7.5431 118.7271 53.6448 42.3098 176.9949 70 A 4.1748 8.0179 124.3499 51.2665 19.3477 176.9549 71 D 4.3635 8.4458 120.2154 54.4726 41.6909 175.7430 72 S 4.5589 8.1453 119.0832 57.3276 65.3178 175.6739 73 E 3.9832 8.9883 122.1737 59.3211 29.4892 178.2959 74 S 4.3493 7.7301 113.4144 61.2298 63.2523 175.9890 75 L 4.4584 8.1666 118.5575 55.8838 41.1977 178.6178 *77 G 3.9172 8.1946 110.1312 45.6266 0.0000 175.9575 78 G 3.4472 8.5744 107.3485 47.3947 0.0000 175.9019 79 I 3.8184 8.0825 122.3290 64.3248 37.1285 178.4944 80 Q 4.0186 8.1017 118.3393 58.9348 28.5065 178.6973 81 S 4.0551 8.1540 114.0160 61.6927 62.4318 176.7934 82 V 3.6492 7.8432 114.9624 64.3259 31.2568 178.7269 83 I 3.8067 8.0163 119.8176 64.2889 36.7087 178.0579 84 E 3.9756 8.2226 119.3424 59.5213 29.5447 178.6598 85 T 4.0345 7.9335 114.9087 66.8733 68.6212 175.6072 86 Y 4.3247 8.0140 120.3745 60.1886 39.4632 175.9053 87 G 4.1028 8.1709 110.4553 44.5594 0.0000 175.5904 88 R 3.9307 8.7604 122.5080 59.3586 29.4834 176.0093 89 S 4.2772 7.8900 111.8170 59.5796 63.1726 173.6502 90 E 4.1134 7.7216 122.5735 55.5567 29.1922 176.2920 91 R 4.1965 8.3780 124.9527 56.8988 31.2139 176.6242 92 N 4.5114 8.0883 115.6367 51.2216 38.3126 174.3116 93 K 3.1037 7.1028 118.0763 54.9337 32.0567 176.3174 94 Y 4.6204 8.4689 123.3646 57.6436 39.3202 177.1897 95 R 3.6563 8.9936 124.9848 59.2451 30.0824 178.6731 96 A 3.7131 7.4853 120.1827 54.9605 18.0292 179.6525 97 V 3.3220 7.1433 115.2490 65.9169 31.7654 177.9620 98 V 3.8454 7.6897 116.9152 66.3430 31.6618 177.2885 99 Y 4.1548 8.3699 116.8920 61.0502 37.5705 178.2846 100 Y 4.2497 8.1320 116.6498 58.7549 38.6700 177.4892 *102 L 4.4144 7.8207 119.9338 54.9418 44.0160 179.1626 103 T 4.0574 8.4644 115.1981 66.8348 68.9603 176.4902 104 K 3.9350 8.1046 120.6581 59.8454 32.2351 178.8443 105 H 3.9430 8.2557 116.3913 58.8661 29.7460 175.6182 106 F 4.5985 8.2615 115.0958 56.6448 39.0072 175.6944 107 G 3.9931 7.7741 108.6060 47.2134 0.0000 175.0854 108 K 4.5799 8.2349 116.4665 55.8941 32.8293 177.6342 109 E 4.1148 8.2780 122.3309 59.7621 29.4362 179.1411 110 S 4.2244 8.1181 113.2719 61.1805 62.7647 176.6927 111 V 3.6173 7.4997 115.2403 64.3714 31.2736 177.4029 112 Y 4.2194 7.8857 114.7643 58.8351 37.9043 175.8754 113 G 4.0812 7.9174 113.7442 45.6657 0.0000 173.1896 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 0 G 8.34 3.77 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 0.00 0.00 0.00 *2 G 8.59 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.32 3.78 0.00 1.57 1.31 0.00 1.48 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.72 1.20 7.81 4 R 7.72 3.69 0.00 1.91 1.82 0.00 3.35 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.29 0.00 5 D 7.91 4.27 0.00 2.65 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 6 D 8.10 4.22 0.00 2.69 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 7 L 7.84 3.28 0.00 1.46 0.79 0.73 0.38 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 8 I 7.24 3.35 1.72 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 1.45 0.58 0.86 0.00 0.00 9 A 7.90 3.86 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 10 Q 7.90 3.82 0.00 2.06 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 11 Y 7.79 4.27 0.00 2.98 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 12 A 8.18 3.87 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 13 D 8.18 4.24 0.00 2.85 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 14 D 8.40 4.42 0.00 3.03 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 15 L 7.88 3.79 0.00 1.65 1.55 0.10 0.53 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 16 R 8.01 3.70 0.00 1.86 1.89 0.00 3.06 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 17 N 8.52 4.71 0.00 2.93 2.86 0.00 0.00 7.05 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 18 K 8.01 4.39 0.00 1.97 1.97 0.00 2.04 0.00 0.00 1.98 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.45 7.81 19 C 7.48 4.25 0.00 2.88 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 20 G 7.44 3.53 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 *22 E 8.04 4.08 0.00 2.03 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 0.00 2.13 1.88 0.00 23 P 0.00 4.35 0.00 2.03 1.87 0.00 3.70 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 24 D 9.26 4.56 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 *26 A 8.37 4.26 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 27 L 8.17 3.89 0.00 1.83 1.98 0.75 0.02 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 28 L 8.38 4.02 0.00 1.71 1.63 0.75 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.15 3.95 0.00 2.12 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 0.00 2.39 2.48 0.00 30 K 7.85 4.02 0.00 1.81 1.97 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.64 7.81 31 V 7.81 3.50 2.17 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 1.17 0.00 0.00 0.45 0.00 0.00 32 T 8.11 3.94 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 1.31 0.00 0.00 33 K 8.17 4.09 0.00 1.99 1.96 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.83 7.81 34 G 7.98 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 35 C 7.80 4.44 0.00 3.15 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 36 G 7.29 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 37 P 0.00 4.41 0.00 2.21 2.09 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 38 A 8.37 3.86 1.05 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 39 I 7.99 4.40 1.88 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 1.43 0.78 1.04 0.00 0.00 40 Y 8.62 4.11 0.00 2.97 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 41 N 8.24 4.63 0.00 2.86 2.79 0.00 0.00 7.32 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 42 R 8.78 4.09 0.00 1.77 1.96 0.00 3.32 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.26 0.00 43 D 8.51 4.41 0.00 2.82 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 44 A 7.92 3.82 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 45 S 8.08 4.60 0.00 4.24 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 46 T 7.16 4.99 4.08 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 0.94 0.00 0.00 47 V 8.51 4.41 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 0.82 0.00 0.00 0.86 0.00 0.00 48 A 9.84 4.18 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 49 G 8.73 3.59 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 0.00 0.00 0.00 50 S 7.94 4.42 0.00 3.97 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 51 D 7.85 4.71 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 52 T 8.58 3.87 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 53 A 7.98 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 54 E 8.54 3.93 0.00 2.14 2.27 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 2.52 2.43 0.00 55 L 7.93 4.09 0.00 1.94 1.74 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.50 4.05 0.00 2.15 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 2.59 2.51 0.00 57 T 8.15 3.95 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 58 I 7.93 3.87 2.11 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.02 1.04 0.00 0.00 59 K 7.97 3.94 0.00 1.80 2.04 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.44 7.81 60 K 7.98 4.10 0.00 1.94 1.92 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.72 1.49 7.81 61 N 8.72 4.54 0.00 2.93 2.96 0.00 0.00 6.66 8.14 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 62 F 7.87 4.27 0.00 2.69 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 63 L 7.95 3.75 0.00 1.81 1.38 0.96 1.05 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 *65 K 7.77 4.16 0.00 1.80 1.76 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 66 K 7.25 4.11 0.00 1.51 1.61 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.60 7.81 67 L 7.30 3.73 0.00 1.39 1.44 0.78 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.86 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 69 L 7.54 4.05 0.00 1.42 1.29 0.01 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.02 4.17 1.18 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 0.00 0.00 71 D 8.45 4.36 0.00 2.62 2.58 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 0.00 0.00 0.00 0.00 72 S 8.15 4.56 0.00 3.99 3.89 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 73 E 8.99 3.98 0.00 2.22 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 2.30 1.88 0.00 74 S 7.73 4.35 0.00 4.23 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 75 L 8.17 4.46 0.00 1.84 1.71 0.84 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 *77 G 8.19 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 0.00 0.00 0.00 78 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 79 I 8.08 3.82 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.94 0.98 0.00 0.00 80 Q 8.10 4.02 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 81 S 8.15 4.06 0.00 3.91 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 82 V 7.84 3.65 2.12 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 0.68 0.00 0.00 1.08 0.00 0.00 83 I 8.02 3.81 2.02 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 1.67 1.23 0.92 0.00 0.00 84 E 8.22 3.98 0.00 2.30 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 2.32 2.22 0.00 85 T 7.93 4.03 4.42 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 1.21 0.00 0.00 86 Y 8.01 4.32 0.00 3.15 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 87 G 8.17 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.76 3.93 0.00 1.84 1.87 0.00 3.27 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 89 S 7.89 4.28 0.00 3.85 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 90 E 7.72 4.11 0.00 1.87 1.78 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 1.85 1.85 0.00 91 R 8.38 4.20 0.00 1.75 1.87 0.00 3.16 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 92 N 8.09 4.51 0.00 2.49 2.07 0.00 0.00 6.99 7.25 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 93 K 7.10 3.10 0.00 1.68 1.38 0.00 1.48 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.33 1.13 7.81 94 Y 8.47 4.62 0.00 3.06 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 95 R 8.99 3.66 0.00 1.64 1.65 0.00 2.82 0.00 0.00 2.72 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.83 0.00 96 A 7.49 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.14 3.32 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.82 0.00 0.00 98 V 7.69 3.85 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 1.05 0.00 0.00 1.19 0.00 0.00 99 Y 8.37 4.15 0.00 2.75 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 0.00 100 Y 8.13 4.25 0.00 3.00 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 *102 L 7.82 4.41 0.00 2.27 2.16 1.14 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.46 4.06 4.40 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 1.41 0.00 0.00 104 K 8.10 3.93 0.00 1.66 1.77 0.00 1.68 0.00 0.00 1.20 0.00 0.00 2.69 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.79 1.26 7.81 105 H 8.26 3.94 0.00 2.92 3.25 0.00 5.91 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 0.00 106 F 8.26 4.60 0.00 3.20 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 0.00 107 G 7.77 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 0.00 108 K 8.23 4.58 0.00 1.79 1.77 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.54 7.81 109 E 8.28 4.11 0.00 2.07 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 0.00 110 S 8.12 4.22 0.00 4.06 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 0.00 111 V 7.50 3.62 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 0.71 0.00 0.00 0.72 0.00 0.00 112 Y 7.89 4.22 0.00 3.20 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 0.00 113 G 7.92 4.08 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.