NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7470 8.3501 109.7346 45.5421 0.0000 174.5918 *2 A 4.1039 9.3193 121.5308 51.3133 20.8144 177.2755 3 F 5.2444 7.5326 110.9181 55.6548 42.5342 173.9812 *5 E 3.9337 8.2389 118.8785 56.2033 30.1502 177.4654 6 K 3.8926 8.2566 120.1158 59.4029 32.4743 178.5061 7 I 3.9624 7.3030 117.5885 62.5843 38.7185 177.4273 8 F 4.3529 7.7635 119.9209 60.3633 38.2221 175.4722 9 P 3.7428 0.0000 0.0000 65.9734 30.7084 178.0941 10 D 4.3043 7.8536 117.9731 57.1226 40.7989 178.4827 11 I 3.6607 7.7390 120.3829 64.4365 36.8617 178.4990 12 L 3.9835 7.4219 118.5643 57.5447 41.5755 179.2305 13 E 4.0688 7.8882 117.9428 59.2918 29.4476 178.9981 14 A 4.0039 8.1513 121.2138 55.1256 18.2235 179.6369 15 I 3.6890 7.5919 110.2151 63.3657 37.6899 177.6558 16 R 4.5326 7.5043 117.7197 55.4589 30.7404 175.6700 17 N 4.7757 7.9411 118.8404 51.0425 39.6551 174.1596 18 E 3.9779 8.5859 127.2494 58.8625 29.7023 178.0771 19 E 3.9088 8.1926 119.1909 59.2629 29.9025 178.5318 20 I 3.7073 7.8685 119.6155 64.3630 36.9093 178.4746 21 I 3.6572 7.5217 119.4760 64.4984 37.0803 178.4173 22 K 4.0969 7.9643 117.7375 59.0917 31.9458 178.4797 23 E 4.3393 7.9306 116.7510 56.0728 30.0148 176.9433 24 S 4.3601 7.0285 113.7646 57.5371 63.8013 174.3034 25 K 4.1464 8.3446 120.8617 56.4299 32.4468 176.6997 26 K 4.4986 8.4185 121.7145 54.7422 33.7094 175.6180 27 I 4.4901 8.1075 123.4545 58.4089 40.2964 175.0532 28 P 4.6994 0.0000 0.0000 61.6754 30.8109 175.7144 *30 P 4.5842 0.0000 0.0000 63.8355 33.6179 178.2267 31 Y 4.4433 8.0754 115.8150 60.4891 37.6441 177.7451 32 F 4.2722 8.5506 121.6024 61.3776 39.6665 177.3232 33 G 3.8653 8.5237 104.9680 47.6866 0.0000 175.1974 34 L 4.0362 8.2484 122.7009 57.8094 41.9760 178.7156 35 F 3.9945 8.2869 120.2140 61.4000 39.3316 177.0564 36 A 3.9617 7.6585 118.8296 54.9398 18.0950 179.3197 37 L 3.7563 7.8928 118.8771 58.2315 42.0388 179.4883 38 V 3.5343 8.0281 118.5451 65.9945 31.5223 177.6854 39 I 3.7740 7.8301 117.7525 63.1278 37.8140 177.7330 40 F 4.1221 8.5623 119.1248 60.6492 38.5365 177.0930 41 D 4.4965 7.8557 117.3917 57.4099 40.6613 178.9207 42 K 4.1048 7.6388 118.0835 59.3153 32.4611 178.9361 43 V 3.6991 8.1762 121.3280 66.5233 32.1136 177.2570 44 K 4.9122 7.9055 124.9733 56.2906 27.0446 179.6419 *47 G 4.0300 7.6296 108.8133 46.2024 0.0000 171.9397 48 S 5.0374 7.8300 118.8742 57.5669 64.9953 175.4577 49 E 4.7516 8.2881 114.0428 58.0219 32.1122 175.9573 50 T 4.4275 7.7184 117.7133 60.6957 70.0718 172.4759 51 S 5.1033 8.2876 114.0661 56.0295 67.5165 174.4022 52 L 4.2785 8.8105 122.3238 58.1347 41.2578 179.1942 53 Y 4.3336 8.2614 119.0278 61.0070 38.9440 177.9402 54 E 4.4431 8.5485 120.7899 58.9734 29.4681 179.3912 55 I 3.9770 8.2647 120.0925 64.3843 37.2311 178.5384 56 G 3.5351 8.6861 106.7354 47.8267 0.0000 175.2020 57 E 4.0483 8.2441 121.3274 59.5313 29.3274 179.5804 58 E 4.0326 7.9762 116.6681 59.1623 29.5616 178.8119 59 F 4.3226 8.5948 120.4659 61.2348 39.7379 177.0190 60 G 3.9383 8.7082 105.5961 47.7860 0.0000 177.1195 61 K 4.2200 7.6372 117.9454 56.4479 32.1744 178.0749 *63 L 4.0746 7.8629 121.0080 53.5975 43.9556 177.2285 64 S 3.6118 8.0496 111.1045 58.4819 60.9357 170.2982 65 P 4.3912 0.0000 0.0000 62.8538 32.2072 177.4091 66 K 4.0947 8.8493 120.2657 58.0725 32.6582 176.5961 67 N 4.4674 7.2617 115.3667 50.9244 40.8843 175.1398 68 I 3.6325 7.9657 120.8021 64.3204 37.0487 178.2940 69 E 3.9001 8.1012 119.8724 59.1870 29.4991 178.3248 70 E 3.9141 8.7326 119.6995 58.9608 29.7699 178.3833 71 L 3.9335 7.8857 120.4725 58.2408 42.1227 179.1761 72 K 3.9283 8.0966 118.2784 59.2231 31.8903 179.2929 73 K 3.9413 8.1017 119.8630 59.6229 31.9611 178.7290 74 I 3.6747 7.7221 118.8550 64.7182 37.2702 178.0763 75 F 4.0457 8.3744 117.9162 60.3554 38.4600 177.9581 76 K 4.1033 7.8649 116.9835 59.1861 31.9600 180.6855 77 L 4.1453 7.7542 117.7034 54.4903 41.6927 177.0075 *79 N 4.5935 8.0852 114.7172 53.7087 40.0808 174.5000 80 F 4.5021 8.2892 114.7288 56.5489 39.6116 174.8553 81 G 3.9447 8.0948 105.5644 44.2133 0.0000 172.2957 82 D 4.8079 9.0199 119.8835 52.5984 42.1250 175.9664 83 L 4.5002 8.4552 126.7328 54.4230 43.2526 175.6308 84 E 4.5927 9.4500 126.8307 54.9478 31.1746 175.2455 85 I 4.7038 8.0339 125.0947 59.6517 41.2641 175.1665 86 D 4.5585 8.7270 127.3774 52.7920 40.5222 176.0976 87 E 3.9322 8.5976 127.7961 59.2613 29.8781 178.0378 88 N 4.3868 8.1013 116.0244 56.0171 38.5138 177.1747 89 K 4.0058 8.1264 121.0496 59.2687 32.0629 178.8722 90 I 3.1803 7.2892 119.1350 64.3105 37.0215 178.0183 91 L 4.0592 7.6301 118.4223 57.6404 41.4946 179.0882 92 L 4.2768 7.5719 117.2165 55.3145 42.0807 177.2395 93 K 4.6291 7.4850 117.0516 54.4902 34.1825 175.8700 94 N 4.6433 8.3580 118.0925 52.1451 39.2567 173.6100 95 P 3.3150 0.0000 0.0000 61.1366 32.2830 174.1091 96 P 4.3359 0.0000 0.0000 63.0089 32.4367 174.9365 97 Y 4.9480 8.5692 118.8955 56.4078 41.4793 174.5292 98 K 5.3854 8.6504 118.6055 54.9074 35.8245 176.2413 99 I 4.9364 9.0438 116.6953 59.1835 41.5421 174.2363 100 K 5.2691 8.8657 121.9231 54.6025 36.3167 174.7819 101 L 5.1708 9.1990 124.8279 53.6026 44.7975 175.3437 102 S 4.8346 9.1018 122.5586 57.1752 65.2772 173.6272 103 N 4.1376 8.4958 119.7908 54.1074 36.8619 171.4781 104 P 4.9764 0.0000 0.0000 60.7284 32.9819 174.0031 105 P 4.2348 0.0000 0.0000 62.9387 31.9861 175.3720 106 Y 2.7845 7.8798 112.9372 59.2670 34.7135 172.3605 107 Q 4.0712 8.0462 119.7900 57.9395 29.0681 177.4476 108 W 4.4171 7.7002 113.2896 57.2067 28.8380 175.8833 109 V 4.0248 7.0394 120.9304 61.4156 31.9664 174.1651 110 S 4.8613 8.4318 121.4152 56.2694 64.0920 172.8939 111 K 4.5898 8.4200 127.4871 54.9194 35.1910 175.8699 112 E 4.0512 8.8232 124.6182 58.2627 29.7773 176.6848 113 E 4.6660 7.6334 118.0077 53.0506 31.9809 173.5556 114 P 4.3333 0.0000 0.0000 62.9758 31.8270 176.3427 115 I 4.2375 8.0999 112.7431 61.0515 39.7603 176.2658 116 H 4.8734 8.4402 121.8500 55.2536 25.7944 175.6059 117 D 4.5968 7.8164 124.4343 57.4393 41.3139 178.3377 118 F 4.6081 8.4407 120.6522 61.7153 39.4129 177.0300 119 I 3.5967 8.0541 118.5957 64.3232 36.9216 178.1392 120 A 4.0321 8.4368 121.8398 54.9683 18.1974 179.9528 121 G 2.8352 8.1407 104.2410 47.7429 0.0000 175.7816 122 I 3.8265 7.6334 122.8941 64.2341 37.1436 178.5264 123 L 3.8988 8.0640 119.4557 57.5896 41.4159 179.4431 124 A 4.1930 8.0395 120.9571 55.1100 18.3784 180.0069 125 G 3.5501 8.2726 104.3873 48.1693 0.0000 175.8280 126 C 4.1603 8.4558 119.8296 62.5263 28.0565 176.2650 127 L 3.8756 7.9741 120.6047 57.4498 40.9990 179.1478 128 E 4.5872 8.2578 120.6746 59.0223 29.4258 178.5924 129 E 3.9800 7.8976 117.2292 59.5621 29.5646 179.3172 130 I 3.6737 7.5161 118.6297 63.6098 37.3664 177.5741 131 F 4.8652 8.2606 114.7176 56.9693 40.0189 174.4569 132 Y 4.1503 8.4307 121.2566 57.7180 39.1342 169.2507 133 Y 4.2286 7.1183 115.4936 58.0165 38.7520 174.6919 134 Y 4.6284 7.9849 120.1099 58.1872 39.1342 174.7128 135 F 5.4194 9.1370 121.9098 55.6876 42.6113 174.5602 136 V 4.6706 9.1603 122.4576 61.1801 33.9437 174.3335 137 V 5.0597 8.8963 127.7444 61.1887 33.7757 174.0351 138 N 5.0891 9.3073 126.4430 51.7164 41.8847 172.4755 139 E 4.5046 9.0583 127.6147 55.9607 29.8609 176.0359 140 V 4.3668 8.6660 119.8949 61.4820 34.0582 175.7518 141 E 4.9422 7.7251 118.4030 54.8846 34.2949 173.9809 142 C 4.7970 8.9198 121.0404 57.8553 35.0824 175.1117 143 V 4.2821 8.6054 123.9393 65.6346 31.4607 177.8226 144 S 4.4142 7.8362 113.3270 59.5054 62.9222 175.0782 145 Q 4.2825 7.8756 118.6812 56.1814 28.6985 176.6534 146 G 3.9955 8.2208 107.0360 44.9157 0.0000 174.2439 147 K 4.2916 7.6394 119.0180 55.9794 32.9115 177.5265 148 D 4.5549 8.4472 119.8991 56.3521 41.3004 176.9321 149 K 4.8295 7.4912 116.0116 54.8126 36.4830 175.8779 150 C 4.5071 8.9680 120.6186 59.4179 29.9319 172.8972 151 V 4.8154 8.3451 121.7285 61.1270 34.4446 174.0812 152 F 5.3199 9.4351 126.5993 55.6506 42.0990 173.8856 153 E 4.7830 9.3632 125.5145 55.3936 31.0575 174.8248 154 V 4.9163 9.0792 127.7707 61.2248 33.9569 174.3251 155 K 4.9216 9.2153 127.1927 54.5366 35.5196 174.8213 156 E 4.5302 8.7059 125.2074 55.3943 30.6239 175.5812 157 V 4.6835 8.4892 118.9939 59.5313 36.1650 175.3500 158 D 4.7211 8.5987 121.1143 53.6307 39.4365 175.9371 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 8.35 3.75 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 0.00 0.00 0.00 *2 A 9.32 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 7.53 5.24 0.00 3.14 3.10 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 *5 E 8.24 3.93 0.00 1.16 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 1.96 1.79 0.00 6 K 8.26 3.89 0.00 1.64 1.80 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.35 7.81 7 I 7.30 3.96 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.25 0.90 0.00 0.00 8 F 7.76 4.35 0.00 2.89 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 9 P 0.00 3.74 0.00 2.12 2.09 0.00 3.61 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 10 D 7.85 4.30 0.00 2.82 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 11 I 7.74 3.66 1.96 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.55 0.85 0.00 0.00 12 L 7.42 3.98 0.00 1.67 1.71 1.11 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.89 4.07 0.00 2.18 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 2.31 2.29 0.00 14 A 8.15 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 15 I 7.59 3.69 1.77 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.56 0.84 0.00 0.00 16 R 7.50 4.53 0.00 2.15 1.98 0.00 3.21 0.00 0.00 3.15 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.49 0.00 17 N 7.94 4.78 0.00 2.65 2.75 0.00 0.00 6.77 7.20 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 18 E 8.59 3.98 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 2.36 2.35 0.00 19 E 8.19 3.91 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 2.36 2.45 0.00 20 I 7.87 3.71 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.87 0.89 0.00 0.00 21 I 7.52 3.66 1.99 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 1.49 0.53 0.88 0.00 0.00 22 K 7.96 4.10 0.00 1.91 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.64 7.81 23 E 7.93 4.34 0.00 2.01 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 2.38 2.44 0.00 24 S 7.03 4.36 0.00 4.00 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 25 K 8.34 4.15 0.00 1.77 1.78 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 26 K 8.42 4.50 0.00 1.73 1.75 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.47 7.81 27 I 8.11 4.49 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.88 1.07 0.00 0.00 28 P 0.00 4.70 0.00 2.45 1.98 0.00 3.88 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.23 0.00 *30 P 0.00 4.58 0.00 1.70 1.89 0.00 3.57 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.00 0.00 31 Y 8.08 4.44 0.00 3.28 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 32 F 8.55 4.27 0.00 3.16 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 33 G 8.52 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 0.00 0.00 0.00 34 L 8.25 4.04 0.00 1.99 2.02 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.29 3.99 0.00 3.31 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 36 A 7.66 3.96 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.89 3.76 0.00 1.77 1.86 0.91 0.70 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 38 V 8.03 3.53 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 0.85 0.00 0.00 0.96 0.00 0.00 39 I 7.83 3.77 1.43 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.22 1.00 0.00 0.00 40 F 8.56 4.12 0.00 3.11 3.10 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 41 D 7.86 4.50 0.00 2.86 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 42 K 7.64 4.10 0.00 1.78 1.83 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.53 7.81 43 V 8.18 3.70 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 0.82 0.00 0.00 0.75 0.00 0.00 44 K 7.91 4.91 0.00 1.75 1.73 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.19 7.81 *47 G 7.63 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 0.00 0.00 0.00 48 S 7.83 5.04 0.00 3.58 3.72 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 49 E 8.29 4.75 0.00 1.83 1.75 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 2.12 2.22 0.00 50 T 7.72 4.43 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 0.85 0.00 0.00 51 S 8.29 5.10 0.00 4.20 4.02 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 0.00 0.00 0.00 52 L 8.81 4.28 0.00 1.85 1.97 0.78 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 8.26 4.33 0.00 3.17 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 54 E 8.55 4.44 0.00 2.20 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 2.63 2.48 0.00 55 I 8.26 3.98 2.16 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 1.85 1.25 1.17 0.00 0.00 56 G 8.69 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.24 4.05 0.00 2.16 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 2.05 2.04 0.00 58 E 7.98 4.03 0.00 2.23 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 2.58 2.52 0.00 59 F 8.59 4.32 0.00 3.37 3.20 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 0.00 60 G 8.71 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 61 K 7.64 4.22 0.00 1.94 1.86 0.00 2.01 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.74 1.67 7.81 *63 L 7.86 4.07 0.00 1.80 1.71 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.05 3.61 0.00 4.10 3.79 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 65 P 0.00 4.39 0.00 2.29 2.00 0.00 3.77 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 66 K 8.85 4.09 0.00 2.07 1.84 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.24 7.81 67 N 7.26 4.47 0.00 2.84 2.78 0.00 0.00 6.28 7.84 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 68 I 7.97 3.63 2.04 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 1.52 1.05 0.86 0.00 0.00 69 E 8.10 3.90 0.00 2.04 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 2.36 2.41 0.00 70 E 8.73 3.91 0.00 2.11 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 2.27 2.29 0.00 71 L 7.89 3.93 0.00 1.83 1.78 0.92 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.10 3.93 0.00 2.01 1.83 0.00 1.83 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.54 7.81 73 K 8.10 3.94 0.00 1.96 1.94 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 74 I 7.72 3.67 2.12 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.76 0.87 0.00 0.00 75 F 8.37 4.05 0.00 3.20 3.36 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 76 K 7.86 4.10 0.00 1.90 1.90 0.00 1.91 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.65 7.81 77 L 7.75 4.15 0.00 1.73 1.65 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 *79 N 8.09 4.59 0.00 2.69 2.88 0.00 0.00 7.17 7.02 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 80 F 8.29 4.50 0.00 2.77 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 81 G 8.09 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 82 D 9.02 4.81 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 83 L 8.46 4.50 0.00 1.40 1.40 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 84 E 9.45 4.59 0.00 1.91 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 2.24 2.27 0.00 85 I 8.03 4.70 1.81 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.49 0.85 0.00 0.00 86 D 8.73 4.56 0.00 2.66 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 87 E 8.60 3.93 0.00 2.08 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 2.41 2.49 0.00 88 N 8.10 4.39 0.00 2.84 2.85 0.00 0.00 6.77 6.91 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 89 K 8.13 4.01 0.00 1.90 1.94 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 90 I 7.29 3.18 1.72 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.28 0.06 0.00 0.00 91 L 7.63 4.06 0.00 1.79 1.74 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.57 4.28 0.00 1.64 1.74 0.93 1.01 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 93 K 7.49 4.63 0.00 2.01 1.82 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.53 7.81 94 N 8.36 4.64 0.00 2.68 2.67 0.00 0.00 6.97 8.02 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 95 P 0.00 3.31 0.00 1.82 1.34 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.96 0.00 96 P 0.00 4.34 0.00 2.05 2.02 0.00 3.62 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 1.92 1.94 0.00 97 Y 8.57 4.95 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.65 5.39 0.00 1.64 1.72 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.46 7.81 99 I 9.04 4.94 1.94 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.30 0.91 0.00 0.00 100 K 8.87 5.27 0.00 1.74 1.81 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.37 7.81 101 L 9.20 5.17 0.00 1.90 1.78 1.16 1.15 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 0.00 102 S 9.10 4.83 0.00 3.97 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 0.00 103 N 8.50 4.14 0.00 2.81 2.85 0.00 0.00 7.08 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 0.00 104 P 0.00 4.98 0.00 1.98 1.99 0.00 3.42 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 105 P 0.00 4.23 0.00 1.12 1.47 0.00 3.42 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.23 0.00 106 Y 7.88 2.78 0.00 2.95 2.33 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 0.00 107 Q 8.05 4.07 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.06 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 108 W 7.70 4.42 0.00 3.53 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 0.00 109 V 7.04 4.02 1.79 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 0.70 0.00 0.00 -0.15 0.00 0.00 110 S 8.43 4.86 0.00 3.83 3.71 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 0.00 111 K 8.42 4.59 0.00 1.61 1.60 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.35 7.81 112 E 8.82 4.05 0.00 1.97 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 2.29 2.27 0.00 113 E 7.63 4.67 0.00 1.86 1.75 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 2.15 2.25 0.00 114 P 0.00 4.33 0.00 2.03 1.95 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 115 I 8.10 4.24 1.60 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.14 0.77 0.00 0.00 116 H 8.44 4.87 0.00 3.80 3.57 0.00 5.82 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.82 4.60 0.00 2.92 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 0.00 118 F 8.44 4.61 0.00 3.12 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 0.00 119 I 8.05 3.60 2.19 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.44 0.96 0.00 0.00 120 A 8.44 4.03 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 0.00 0.00 0.00 0.00 0.00 121 G 8.14 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 0.00 0.00 0.00 122 I 7.63 3.83 1.95 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 -0.01 1.02 0.00 0.00 123 L 8.06 3.90 0.00 1.68 1.53 0.03 0.26 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 0.00 124 A 8.04 4.19 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 0.00 125 G 8.27 3.55 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 0.00 126 C 8.46 4.16 0.00 2.91 2.93 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 0.00 127 L 7.97 3.88 0.00 1.40 0.77 0.66 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.26 4.59 0.00 2.41 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 2.32 2.53 0.00 129 E 7.90 3.98 0.00 2.15 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 2.54 2.49 0.00 130 I 7.52 3.67 1.24 0.00 0.00 0.62 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 0.43 -0.47 0.00 0.00 131 F 8.26 4.87 0.00 3.48 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 0.00 132 Y 8.43 4.15 0.00 2.86 2.93 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 0.00 133 Y 7.12 4.23 0.00 2.46 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 0.00 134 Y 7.98 4.63 0.00 3.13 2.78 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 0.00 135 F 9.14 5.42 0.00 3.04 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 0.00 136 V 9.16 4.67 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 1.09 0.00 0.00 1.03 0.00 0.00 137 V 8.90 5.06 2.48 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 0.96 0.00 0.00 1.10 0.00 0.00 138 N 9.31 5.09 0.00 2.87 2.66 0.00 0.00 6.40 7.64 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 0.00 139 E 9.06 4.50 0.00 2.07 1.81 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 2.00 1.47 0.00 140 V 8.67 4.37 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 0.76 0.00 0.00 0.95 0.00 0.00 141 E 7.73 4.94 0.00 1.76 1.70 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 2.24 2.22 0.00 142 C 8.92 4.80 0.00 2.91 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 8.61 4.28 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 1.25 0.00 0.00 0.94 0.00 0.00 144 S 7.84 4.41 0.00 3.82 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 0.00 145 Q 7.88 4.28 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.57 2.24 0.00 146 G 8.22 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 0.00 0.00 0.00 147 K 7.64 4.29 0.00 1.81 1.71 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.36 7.81 148 D 8.45 4.55 0.00 2.66 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 0.00 149 K 7.49 4.83 0.00 1.57 1.75 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.46 7.81 150 C 8.97 4.51 0.00 2.84 2.53 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 0.00 151 V 8.35 4.82 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 1.07 0.00 0.00 0.94 0.00 0.00 152 F 9.44 5.32 0.00 2.99 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 0.00 153 E 9.36 4.78 0.00 2.19 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 2.30 2.29 0.00 154 V 9.08 4.92 2.40 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 1.25 0.00 0.00 1.04 0.00 0.00 155 K 9.22 4.92 0.00 1.93 1.67 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.38 7.81 156 E 8.71 4.53 0.00 1.84 1.62 0.00 0.00 0.00 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 1.70 0.00 157 V 8.49 4.68 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 0.78 0.00 0.00 1.04 0.00 0.00 158 D 8.60 4.72 0.00 2.79 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 * Residues marked with a * may have inaccurate shift predictions.