NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.0866 8.2649 123.5840 51.6847 20.6756 174.8380 2 K 3.4654 7.9828 125.3435 55.3145 29.9283 174.2511 3 Q 3.9379 8.4225 125.5246 59.5417 29.5151 177.7832 4 S 4.0463 8.0741 113.7485 62.3530 62.9778 175.7368 5 M 4.0069 8.1238 121.9738 57.8959 31.9106 178.5827 6 K 3.8099 8.4015 117.8363 59.7962 32.3257 178.8869 7 A 3.9754 7.9651 120.4737 55.4279 18.1791 179.5576 8 R 3.8210 8.0145 116.5575 59.6843 30.1221 178.6435 9 E 3.9458 7.9934 118.3396 59.2627 29.6453 178.6921 10 V 3.5554 7.7338 118.3329 67.0537 31.4325 177.1593 11 K 3.7056 7.8112 115.1024 59.9370 31.7482 178.7204 12 R 3.9736 8.0032 118.2207 60.3322 29.9708 178.3845 13 V 3.5475 7.8514 117.7091 65.8082 31.4020 177.7670 14 A 3.8273 8.3502 119.7141 55.2930 18.5650 179.3199 15 L 3.7727 7.9503 117.1855 58.0931 41.7324 179.4816 16 A 3.9902 7.8692 120.3339 55.5092 18.0290 179.2542 17 D 4.2474 7.4817 114.1898 57.4622 41.5154 177.9388 18 K 4.0702 7.5383 117.7539 59.0824 32.5428 177.2560 19 Y 4.6611 8.5041 116.4077 58.4570 37.6212 178.3456 20 F 4.0290 6.8744 123.5942 61.8943 40.2069 178.7102 21 A 4.0218 8.3983 122.4680 54.6458 18.3054 178.3593 22 K 4.5840 7.8612 110.9243 56.2655 34.6983 177.9885 23 R 4.0008 8.6493 118.8995 59.3177 30.1096 179.7426 24 A 4.0627 7.2747 118.9964 52.2980 17.3666 178.2061 25 E 4.3000 8.3015 122.1694 58.7715 30.4168 178.7627 26 L 3.6463 7.9794 119.4349 58.3315 39.7716 178.2316 27 K 3.5483 6.8917 115.7656 60.7550 32.5652 177.7213 28 A 3.8251 7.8926 126.5873 53.3053 18.2941 178.0051 29 I 4.0280 6.7342 116.0816 62.5291 38.4048 177.3319 30 I 4.0513 9.2159 121.8830 64.1851 38.1184 178.5968 31 S 4.2344 8.2957 115.3701 61.7163 62.8607 175.3776 32 D 4.3318 8.5281 119.1857 53.6928 41.3979 175.7682 33 V 3.6716 8.2683 125.2436 63.6544 31.6532 173.7788 34 N 4.9622 8.5041 125.7460 53.0666 45.1323 174.3807 35 A 4.3974 8.2535 124.0309 52.3608 20.9929 176.7269 *40 R 4.0892 7.7137 115.2587 56.1764 29.8416 173.7140 41 W 5.5989 8.3908 133.9572 55.3535 34.5788 174.1869 42 N 4.4686 6.5368 115.0115 54.4193 37.8797 176.5506 43 A 3.8989 6.3772 122.4050 54.4947 18.0876 179.2716 44 V 3.6682 7.9013 115.6364 65.6028 31.5096 176.7440 45 L 4.4227 7.8798 118.1429 56.2601 42.6349 177.1321 46 K 4.0872 8.4334 120.0163 58.1979 31.5451 178.3244 47 L 3.9904 8.0574 126.4596 57.9847 42.3182 178.6404 48 Q 4.1236 8.0503 114.2743 57.6431 28.6778 176.6807 49 T 4.4011 7.5532 117.4728 61.9277 67.3701 172.5986 50 L 4.6188 7.6884 132.3913 55.5240 42.9754 174.5815 51 P 4.3797 0.0000 0.0000 64.1091 33.1436 180.6193 52 R 3.4597 8.6779 115.6041 56.8163 30.2101 176.1249 53 D 4.2928 9.3081 112.4969 57.3726 42.0697 175.7895 54 S 4.2484 7.5620 114.1146 57.6589 60.7550 172.7935 55 S 4.0692 7.4517 120.6340 55.9895 66.7332 173.1893 56 P 4.4391 0.0000 0.0000 65.2956 31.5009 177.1841 57 S 4.6830 7.5501 115.6082 56.0887 61.5571 174.6170 58 R 4.5337 7.5556 123.9638 54.5146 31.6693 175.2024 59 Q 4.4509 7.9174 116.6960 54.6748 32.4667 175.0037 60 R 4.0785 8.6451 118.2667 56.1089 29.7773 176.5827 61 N 4.1200 8.1904 121.8115 54.2382 37.3655 171.7926 62 R 4.5139 7.4619 120.2146 54.2389 30.1790 175.7626 63 C 4.2807 8.6428 120.6365 59.7909 32.0900 173.8407 64 R 4.1090 8.0663 125.2075 59.4475 29.8314 177.9879 65 Q 4.3418 7.9847 115.8682 58.3016 30.5096 176.3352 66 T 4.7500 7.2744 107.5709 60.9765 67.5745 177.5594 67 G 4.0620 8.8049 108.5712 45.7166 0.0000 170.6947 68 R 4.1261 7.5696 121.3545 55.9377 29.3746 174.6019 69 P 4.4482 0.0000 0.0000 63.6732 32.2430 176.6948 70 H 4.1903 8.5377 118.4064 58.3145 27.8307 177.8936 71 G 3.9481 9.1555 114.2587 47.0192 0.0000 175.7303 72 F 5.8302 7.8490 120.9098 56.2910 39.5528 174.3728 73 L 4.0409 7.8618 124.2247 53.6596 42.4532 176.8947 74 R 3.8049 9.1175 123.8346 59.2950 30.6154 177.4867 75 K 3.8266 7.7471 119.1265 59.3616 32.5205 177.5052 76 F 4.9283 7.8892 114.7194 56.7999 39.7335 176.0018 77 G 3.6588 8.1331 109.6639 46.1140 0.0000 172.5514 78 L 4.8463 6.9682 117.2095 51.9129 45.9662 175.6120 79 S 5.5618 8.5370 115.3648 56.5956 65.4275 174.9977 80 R 3.9081 8.4624 122.5700 60.4023 29.3472 178.2219 81 I 3.7186 7.9335 120.4614 63.3849 37.0033 177.9110 82 K 3.8030 7.9039 118.4682 59.9953 32.1509 179.1858 83 V 3.4600 8.0709 118.4350 66.4317 31.3568 177.7729 84 R 3.8364 8.2961 118.4197 59.2386 29.9972 177.9084 85 E 3.9101 8.2329 117.4353 59.6293 29.4284 179.4674 86 A 3.8644 8.1301 120.0270 55.2360 18.3157 179.4777 87 A 3.8627 7.8228 117.7349 55.1602 18.3096 179.2466 88 M 4.1880 7.4404 115.7910 58.0332 32.6946 178.6974 89 R 4.1051 7.6516 116.2567 57.4014 30.1555 177.8643 90 G 3.8964 7.6361 106.6433 45.6650 0.0000 174.2067 91 E 4.1088 7.9422 117.5423 57.0171 29.8855 176.4379 92 I 4.2631 7.2920 120.5376 58.4413 38.3113 173.8183 93 P 4.3774 0.0000 0.0000 62.9531 31.9698 175.9493 94 G 3.8123 8.5581 105.2486 46.1866 0.0000 173.2458 95 L 4.5713 7.5879 120.1152 52.6559 43.5200 175.0297 96 K 4.7048 8.2256 123.9632 54.1890 35.9736 175.9130 97 K 3.6821 8.6881 117.4984 57.1258 32.0859 176.6842 98 A 4.5244 8.6394 127.1453 51.3097 18.9839 177.4524 99 S 4.8119 8.4799 118.3556 56.9744 62.8392 174.3575 100 W 4.4910 8.3796 121.9301 57.2407 28.2230 177.0603 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 1 A 8.26 4.09 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 2 K 7.98 3.47 0.00 2.04 1.85 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.43 7.81 3 Q 8.42 3.94 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 4 S 8.07 4.05 0.00 4.05 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 5 M 8.12 4.01 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 6 K 8.40 3.81 0.00 1.95 1.90 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.97 7.81 7 A 7.97 3.98 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 8 R 8.01 3.82 0.00 1.93 2.01 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 9 E 7.99 3.95 0.00 2.11 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 0.00 2.27 2.33 0.00 10 V 7.73 3.56 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 0.96 0.00 0.00 0.99 0.00 0.00 11 K 7.81 3.71 0.00 1.98 1.71 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.63 7.81 12 R 8.00 3.97 0.00 1.80 1.96 0.00 3.09 0.00 0.00 3.52 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.99 0.00 13 V 7.85 3.55 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 1.01 0.00 0.00 0.93 0.00 0.00 14 A 8.35 3.83 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 15 L 7.95 3.77 0.00 1.66 1.75 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.87 3.99 1.52 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 17 D 7.48 4.25 0.00 2.56 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 18 K 7.54 4.07 0.00 1.77 1.69 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.63 7.81 19 Y 8.50 4.66 0.00 3.24 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 20 F 6.87 4.03 0.00 3.25 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 21 A 8.40 4.02 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 22 K 7.86 4.58 0.00 1.75 1.83 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.45 7.81 23 R 8.65 4.00 0.00 2.00 1.94 0.00 3.08 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.76 0.00 24 A 7.27 4.06 -0.36 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 25 E 8.30 4.30 0.00 1.99 1.95 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 2.21 2.34 0.00 26 L 7.98 3.65 0.00 1.81 1.91 0.96 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 27 K 6.89 3.55 0.00 1.83 1.94 0.00 1.28 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.50 1.37 7.81 28 A 7.89 3.83 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 29 I 6.73 4.03 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.77 0.89 0.00 0.00 30 I 9.22 4.05 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.04 0.99 0.00 0.00 31 S 8.30 4.23 0.00 3.91 3.97 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 32 D 8.53 4.33 0.00 2.62 2.65 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 33 V 8.27 3.67 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 0.87 0.00 0.00 0.94 0.00 0.00 34 N 8.50 4.96 0.00 2.68 2.55 0.00 0.00 6.89 7.35 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 35 A 8.25 4.40 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 *40 R 7.71 4.09 0.00 1.83 2.01 0.00 3.08 0.00 0.00 3.85 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 41 W 8.39 5.60 0.00 3.17 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 42 N 6.54 4.47 0.00 2.57 2.50 0.00 0.00 5.81 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 6.38 3.90 1.56 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 0.00 0.00 44 V 7.90 3.67 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 0.95 0.00 0.00 1.14 0.00 0.00 45 L 7.88 4.42 0.00 1.61 1.74 0.90 0.50 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 46 K 8.43 4.09 0.00 1.88 1.63 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.53 7.81 47 L 8.06 3.99 0.00 1.64 1.76 0.95 0.91 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 48 Q 8.05 4.12 0.00 2.16 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.12 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 49 T 7.55 4.40 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 1.22 0.00 0.00 50 L 7.69 4.62 0.00 1.70 1.72 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.38 0.00 2.15 2.40 0.00 3.89 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 2.13 2.30 0.00 52 R 8.68 3.46 0.00 1.84 1.63 0.00 3.30 0.00 0.00 3.14 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 53 D 9.31 4.29 0.00 2.62 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 54 S 7.56 4.25 0.00 3.93 3.64 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 55 S 7.45 4.07 0.00 3.67 3.58 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 56 P 0.00 4.44 0.00 2.24 2.29 0.00 3.95 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 57 S 7.55 4.68 0.00 3.87 3.84 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 58 R 7.56 4.53 0.00 1.68 1.80 0.00 3.07 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 59 Q 7.92 4.45 0.00 1.87 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.41 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 60 R 8.65 4.08 0.00 1.82 1.94 0.00 3.08 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 61 N 8.19 4.12 0.00 1.70 1.42 0.00 0.00 6.90 9.01 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 62 R 7.46 4.51 0.00 1.97 2.03 0.00 3.26 0.00 0.00 3.79 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 63 C 8.64 4.28 0.00 3.02 2.94 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 64 R 8.07 4.11 0.00 2.19 1.95 0.00 3.45 0.00 0.00 3.47 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 65 Q 7.98 4.34 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 66 T 7.27 4.75 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 1.23 0.00 0.00 67 G 8.80 4.06 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 0.00 0.00 0.00 68 R 7.57 4.13 0.00 1.72 1.96 0.00 3.16 0.00 0.00 3.31 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 69 P 0.00 4.45 0.00 2.13 2.09 0.00 3.74 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 1.84 1.91 0.00 70 H 8.54 4.19 0.00 3.25 3.14 0.00 5.66 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 71 G 9.16 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 0.00 0.00 0.00 72 F 7.85 5.83 0.00 3.11 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 73 L 7.86 4.04 0.00 1.53 1.44 1.03 0.94 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 74 R 9.12 3.80 0.00 1.75 1.95 0.00 3.48 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.63 0.00 75 K 7.75 3.83 0.00 1.41 1.27 0.00 1.54 0.00 0.00 1.53 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.81 1.39 7.81 76 F 7.89 4.93 0.00 3.02 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.13 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 0.00 0.00 0.00 78 L 6.97 4.85 0.00 1.77 1.52 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.54 5.56 0.00 4.09 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 80 R 8.46 3.91 0.00 2.02 2.18 0.00 3.07 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 81 I 7.93 3.72 1.89 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 1.65 0.69 0.92 0.00 0.00 82 K 7.90 3.80 0.00 1.57 1.87 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.63 7.81 83 V 8.07 3.46 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 1.04 0.00 0.00 0.99 0.00 0.00 84 R 8.30 3.84 0.00 2.16 1.87 0.00 3.19 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 85 E 8.23 3.91 0.00 2.13 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 2.40 2.40 0.00 86 A 8.13 3.86 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 87 A 7.82 3.86 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 88 M 7.44 4.19 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.83 0.00 89 R 7.65 4.11 0.00 1.78 1.97 0.00 3.16 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 90 G 7.64 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 0.00 0.00 0.00 91 E 7.94 4.11 0.00 1.92 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 2.28 2.29 0.00 92 I 7.29 4.26 1.68 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.41 0.52 0.00 0.00 93 P 0.00 4.38 0.00 2.22 2.16 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 94 G 8.56 3.81 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 0.00 0.00 0.00 95 L 7.59 4.57 0.00 1.67 1.44 1.16 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.23 4.70 0.00 1.85 1.75 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.45 7.81 97 K 8.69 3.68 0.00 1.79 1.86 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.43 7.81 98 A 8.64 4.52 1.40 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 0.00 0.00 0.00 99 S 8.48 4.81 0.00 3.95 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 0.00 100 W 8.38 4.49 0.00 3.42 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 * Residues marked with a * may have inaccurate shift predictions.