NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 A 4.2537 8.1185 123.5806 51.9266 19.4883 177.7216 30 A 4.3577 7.8654 118.9499 51.9791 17.9444 177.7668 31 Q 4.3688 8.6254 119.0304 57.9509 29.9904 175.7197 32 A 3.9370 7.7116 123.9338 55.0384 18.7575 177.8863 33 P 4.2485 0.0000 0.0000 65.8875 31.3429 178.1752 34 E 3.9458 7.6895 116.1734 59.0205 29.5251 178.4073 35 E 4.0014 8.2166 119.6782 59.1882 29.7413 178.9911 36 R 3.9878 8.1614 116.1866 59.1168 29.4918 178.4874 37 C 4.2095 8.0533 119.8113 62.2511 31.6237 175.3385 38 R 3.9603 8.3994 120.8111 59.5878 29.6914 178.5511 39 L 4.0233 8.2291 118.5702 57.5501 41.4840 179.3581 40 A 4.0291 8.1498 120.6439 55.0194 18.3811 179.2941 41 A 2.9188 8.4632 119.7136 55.3019 18.5057 179.7407 42 Q 3.8520 8.0514 116.0357 59.2215 28.8193 179.2643 43 A 4.0033 8.0531 121.6081 55.1752 18.3887 179.2028 44 C 4.0520 8.2130 117.8422 62.5456 31.5584 175.9147 45 I 3.7078 7.6928 114.7955 63.9196 37.1483 178.3859 46 R 3.8879 7.8743 119.1731 59.0969 29.8398 178.9211 47 A 4.0603 8.0967 120.4464 55.2831 18.3553 179.5504 48 C 4.1733 8.1908 115.3543 63.0550 28.1847 176.2021 49 E 4.0714 8.6792 120.7141 59.2537 28.9970 179.3651 50 R 3.9007 8.0668 118.9067 59.4428 30.2925 177.9640 51 Y 4.0164 8.2977 119.5459 60.8771 38.6771 177.9135 52 L 3.8788 8.5070 118.4979 57.4638 41.7749 178.7318 53 A 4.3422 8.2953 119.4434 53.0897 19.4012 178.3838 54 L 4.6098 8.0179 116.2974 55.6025 43.2299 176.1486 55 C 4.0323 7.3780 119.8512 59.6686 30.7629 172.9227 56 T 3.9104 8.4236 122.5619 64.9277 67.3525 175.1271 57 E 4.3029 7.7427 119.9584 54.8428 28.1564 174.2019 58 S 4.7037 7.5751 117.3892 56.2775 65.8327 174.3751 59 S 4.4427 9.1069 123.1126 58.1996 65.0971 175.5963 60 R 4.0370 8.4430 121.2057 58.8961 29.8189 179.0471 61 E 3.9970 8.1157 119.2256 59.4451 29.7688 178.6267 62 Q 4.0809 8.2841 118.1228 58.9846 28.7593 178.9620 63 R 4.1025 8.0792 118.8945 59.2957 30.0990 178.8433 64 Q 4.0263 8.1492 119.1423 59.4839 29.0661 177.9127 65 H 4.1080 8.3986 116.8960 59.0453 28.7671 177.5128 66 A 4.2417 8.4550 122.6228 55.1998 18.1516 180.0563 67 G 3.5280 8.3568 104.1135 48.1666 0.0000 175.7731 68 D 4.3200 8.5855 122.4323 56.9197 40.8147 178.3088 69 C 4.1182 8.8036 119.2966 62.5572 31.5758 175.5241 70 A 3.9337 8.2868 122.4376 55.2521 17.9715 179.2825 71 D 4.2514 8.0999 117.2421 57.6076 40.9272 179.0840 72 L 3.9279 7.8196 119.3164 58.0594 41.5117 179.4021 73 C 4.0966 8.1882 116.6080 62.6100 27.8353 176.4991 74 R 3.8352 7.8456 119.7201 59.1139 29.7340 178.7690 75 L 3.9035 7.8407 119.8101 58.1457 41.8918 178.7086 76 A 4.0630 8.2349 119.5917 55.1121 18.3607 179.2011 77 A 4.0764 7.9814 118.4456 55.2351 18.8365 179.1635 78 L 4.3806 8.0744 120.4912 57.6296 42.0600 180.3209 79 L 4.0025 8.2998 116.8870 55.2229 40.9335 178.9737 *81 E 4.2535 8.1814 120.5408 56.4105 31.2254 177.6132 82 R 4.4074 8.0521 112.4081 55.2962 29.8240 176.5010 83 R 3.6857 7.9243 114.7635 57.6695 28.0299 176.5209 84 S 4.3799 8.3027 112.2370 57.2816 63.3230 172.9552 85 P 4.2051 0.0000 0.0000 64.7615 31.4298 176.9014 86 W 4.7048 7.9652 118.3891 56.7435 29.3862 177.8485 87 A 4.0984 8.0837 123.3333 54.7990 17.7596 178.5719 88 P 4.2044 0.0000 0.0000 65.9827 31.1608 178.4708 89 A 4.0930 8.1778 119.8988 54.9810 18.3158 179.3198 90 A 4.0384 8.0328 119.1243 55.5371 18.4112 179.7205 91 C 4.2824 8.4221 115.3781 62.5467 28.2241 176.0347 92 E 3.9173 8.2526 121.2334 59.3758 29.3222 178.8964 93 L 4.1352 7.8568 118.5679 57.6860 41.6757 179.3484 94 A 4.1327 8.5569 120.9172 55.2298 18.3589 179.3945 95 A 3.9778 8.4804 119.6432 55.3878 18.3004 179.8328 96 R 3.8764 7.9634 115.9560 60.0219 30.1958 179.0170 97 Y 3.7838 8.4058 115.9168 60.6875 37.6982 178.7041 98 A 4.0714 8.6486 122.4822 55.1368 18.6313 179.3872 99 L 3.8833 8.6850 119.0848 58.2623 42.2061 179.1013 100 A 4.2513 8.2432 122.3470 54.6477 18.2364 179.1792 101 C 4.0574 8.4238 117.2254 62.4544 31.4844 175.6557 102 A 3.9092 8.2937 122.6708 55.3680 17.5778 179.5673 103 E 3.9125 8.3483 116.6945 58.8313 29.1743 179.2288 104 R 4.2446 7.4577 116.3654 57.5485 31.2676 177.4703 105 C 4.3724 8.3439 113.8829 58.8925 29.0092 173.7161 106 D 4.5934 7.3280 121.6616 54.5607 41.5372 175.6702 107 G 4.7425 7.6633 110.3170 46.5187 0.0000 172.4610 108 D 4.4725 8.7953 118.2390 56.7524 41.4306 177.3099 109 E 4.1135 8.2214 120.2550 55.0600 30.5206 175.1982 110 P 4.2745 0.0000 0.0000 66.5335 30.4978 178.6394 111 L 4.3128 8.1248 119.1690 56.8368 41.4871 179.3015 112 E 4.1401 8.3762 118.7076 59.2918 29.5401 179.3068 113 R 4.2417 7.8313 118.8300 58.9648 30.0192 178.6799 114 E 4.0245 8.3564 118.3541 59.5788 29.3253 179.0806 115 C 4.0873 7.8139 117.1499 62.3664 31.6491 175.1407 116 A 4.0319 7.8871 122.4376 55.2833 17.9322 179.6985 117 G 3.5939 8.5140 104.0572 47.9696 0.0000 175.5749 118 A 4.0276 8.2127 123.8216 54.9650 18.4344 179.4096 119 C 4.1956 8.3295 115.3455 63.2243 28.2157 176.6524 120 R 3.9423 8.3824 119.8959 59.2700 29.6506 179.0564 121 R 3.9091 8.6660 118.8129 59.4167 29.8227 178.3842 122 F 4.2977 8.3422 119.7829 61.2155 39.8587 176.8174 123 V 3.3038 8.2554 118.2727 65.9045 31.1335 177.3783 124 E 3.8416 8.4520 119.0327 59.4891 29.2340 178.8070 125 A 4.0255 7.5978 119.0156 55.1510 18.6563 179.0716 126 C 4.1191 7.6284 114.8954 62.5206 28.0800 175.6348 127 R 3.7874 7.5988 119.9371 59.3172 29.4739 176.6929 128 P 4.4773 0.0000 0.0000 65.7255 31.1471 177.2659 129 L 4.4010 7.4998 115.8298 54.6236 41.9198 176.5947 130 L 4.2095 8.1379 125.2696 54.9524 41.6831 176.5235 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 29 A 8.12 4.25 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.87 4.36 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.63 4.37 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 32 A 7.71 3.94 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 33 P 0.00 4.25 0.00 2.27 2.32 0.00 3.70 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 2.21 2.01 0.00 34 E 7.69 3.95 0.00 2.06 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 2.32 2.34 0.00 35 E 8.22 4.00 0.00 2.21 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 0.00 2.31 2.37 0.00 36 R 8.16 3.99 0.00 2.12 2.19 0.00 2.83 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.65 0.00 37 C 8.05 4.21 0.00 3.23 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 38 R 8.40 3.96 0.00 2.04 2.08 0.00 3.32 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 39 L 8.23 4.02 0.00 1.92 1.72 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.15 4.03 1.61 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 0.00 0.00 41 A 8.46 2.92 1.10 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 42 Q 8.05 3.85 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 43 A 8.05 4.00 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 44 C 8.21 4.05 0.00 2.98 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 45 I 7.69 3.71 1.82 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 1.75 0.98 0.88 0.00 0.00 46 R 7.87 3.89 0.00 2.06 2.02 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 47 A 8.10 4.06 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 48 C 8.19 4.17 0.00 3.15 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 49 E 8.68 4.07 0.00 1.99 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 2.58 0.00 50 R 8.07 3.90 0.00 2.23 2.13 0.00 3.11 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 51 Y 8.30 4.02 0.00 3.18 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 52 L 8.51 3.88 0.00 1.89 1.74 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.30 4.34 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.02 4.61 0.00 1.68 1.69 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 55 C 7.38 4.03 0.00 2.79 2.36 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 56 T 8.42 3.91 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 1.18 0.00 0.00 57 E 7.74 4.30 0.00 2.12 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 0.00 2.26 2.28 0.00 58 S 7.58 4.70 0.00 3.45 3.66 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 59 S 9.11 4.44 0.00 4.11 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 60 R 8.44 4.04 0.00 1.90 2.04 0.00 3.14 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 61 E 8.12 4.00 0.00 2.03 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 0.00 2.47 2.39 0.00 62 Q 8.28 4.08 0.00 2.47 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 63 R 8.08 4.10 0.00 2.10 2.03 0.00 3.13 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 64 Q 8.15 4.03 0.00 2.35 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 65 H 8.40 4.11 0.00 3.51 3.38 0.00 5.88 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.45 4.24 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 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 68 D 8.59 4.32 0.00 3.01 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 69 C 8.80 4.12 0.00 3.10 3.17 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 0.00 0.00 0.00 0.00 70 A 8.29 3.93 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 71 D 8.10 4.25 0.00 2.63 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 72 L 7.82 3.93 0.00 1.72 1.69 0.16 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 73 C 8.19 4.10 0.00 3.08 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 74 R 7.85 3.84 0.00 2.08 1.94 0.00 3.10 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 75 L 7.84 3.90 0.00 1.75 1.80 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.23 4.06 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 77 A 7.98 4.08 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 78 L 8.07 4.38 0.00 1.75 1.86 0.93 0.47 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 79 L 8.30 4.00 0.00 1.86 1.74 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 *81 E 8.18 4.25 0.00 2.34 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 2.30 2.32 0.00 82 R 8.05 4.41 0.00 1.95 2.02 0.00 3.24 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.62 0.00 83 R 7.92 3.69 0.00 1.91 1.98 0.00 3.40 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 84 S 8.30 4.38 0.00 3.89 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 85 P 0.00 4.21 0.00 1.64 1.93 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 86 W 7.97 4.70 0.00 3.52 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 87 A 8.08 4.10 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 88 P 0.00 4.20 0.00 2.29 2.41 0.00 3.64 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 2.09 1.99 0.00 89 A 8.18 4.09 1.61 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 0.00 0.00 90 A 8.03 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 91 C 8.42 4.28 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.25 3.92 0.00 2.21 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 2.44 0.00 93 L 7.86 4.14 0.00 1.76 1.79 0.95 1.50 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 94 A 8.56 4.13 1.68 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 0.00 0.00 95 A 8.48 3.98 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 96 R 7.96 3.88 0.00 2.29 1.94 0.00 3.19 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 97 Y 8.41 3.78 0.00 3.14 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 98 A 8.65 4.07 1.64 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 0.00 0.00 99 L 8.68 3.88 0.00 1.87 1.80 0.90 1.21 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 0.00 100 A 8.24 4.25 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 0.00 101 C 8.42 4.06 0.00 3.16 3.19 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 0.00 102 A 8.29 3.91 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 0.00 103 E 8.35 3.91 0.00 2.14 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 2.31 2.47 0.00 104 R 7.46 4.24 0.00 1.64 1.83 0.00 3.19 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.35 0.00 105 C 8.34 4.37 0.00 2.65 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 0.00 0.00 0.00 0.00 106 D 7.33 4.59 0.00 2.82 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 0.00 107 G 7.66 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 0.00 108 D 8.80 4.47 0.00 2.70 2.74 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 0.00 109 E 8.22 4.11 0.00 2.06 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 2.43 2.56 0.00 110 P 0.00 4.27 0.00 2.32 2.33 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 111 L 8.12 4.31 0.00 1.92 1.90 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.38 4.14 0.00 2.27 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 2.71 2.54 0.00 113 R 7.83 4.24 0.00 1.99 1.98 0.00 3.43 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 114 E 8.36 4.02 0.00 2.04 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 2.46 0.00 115 C 7.81 4.09 0.00 3.08 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 0.00 116 A 7.89 4.03 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 0.00 117 G 8.51 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 0.00 118 A 8.21 4.03 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 0.00 119 C 8.33 4.20 0.00 3.17 3.12 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 0.00 0.00 0.00 0.00 120 R 8.38 3.94 0.00 1.97 1.98 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 121 R 8.67 3.91 0.00 2.15 2.08 0.00 3.13 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 122 F 8.34 4.30 0.00 3.02 3.39 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 0.00 123 V 8.26 3.30 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 0.86 0.00 0.00 0.94 0.00 0.00 124 E 8.45 3.84 0.00 2.06 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 2.30 2.36 0.00 125 A 7.60 4.03 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 0.00 126 C 7.63 4.12 0.00 2.90 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 0.00 127 R 7.60 3.79 0.00 1.81 1.95 0.00 3.11 0.00 0.00 3.31 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 128 P 0.00 4.48 0.00 2.20 2.19 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 129 L 7.50 4.40 0.00 1.73 1.74 0.97 1.02 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 0.00 130 L 8.14 4.21 0.00 1.68 1.56 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.