NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5012 8.3049 120.3527 55.3403 33.3034 175.8467 2 K 4.2407 8.7798 126.4237 53.7995 34.9208 176.0921 3 K 3.8203 8.6819 120.3496 60.3036 32.2761 177.9866 4 Q 4.0053 8.0775 118.9583 59.1874 28.9482 177.9275 5 Q 3.9997 8.0937 118.8753 58.6668 28.7903 178.2392 6 F 4.0303 8.3246 121.7227 61.3447 39.4886 177.1128 7 I 3.7206 8.1464 119.5096 64.6565 36.7241 178.1423 8 D 4.3169 8.0336 118.3081 57.4414 41.0079 178.2378 9 M 4.0626 8.1162 118.7792 58.7796 32.2755 178.0670 10 Q 3.8049 7.7761 119.5706 59.1674 28.9053 178.0752 11 E 4.0442 8.0691 118.6013 59.0021 29.4983 178.9229 12 Q 4.0716 7.5793 117.2863 57.6061 29.0337 177.3082 13 G 3.8226 8.0925 107.6422 44.6676 0.0000 172.0376 14 T 4.5808 7.9783 113.8844 61.6721 71.6689 174.3532 15 S 4.4845 8.6041 122.3856 58.3188 63.8166 173.6144 16 T 4.6861 8.2362 112.2065 59.8463 71.1797 173.3985 17 I 4.6133 8.1527 124.2986 58.5901 40.4116 173.5821 18 P 4.3446 0.0000 0.0000 62.7620 31.8125 177.2777 19 N 4.4560 8.9214 120.6469 56.0654 38.2783 177.1613 20 L 4.0944 7.9879 121.7543 57.9512 41.9942 178.5922 21 L 4.0656 8.0901 120.4980 58.0692 41.8964 178.6763 22 L 4.1139 8.0979 119.0089 57.5939 42.1629 177.8415 23 T 4.4023 7.8013 107.3189 61.9894 69.5760 174.7556 24 H 4.6765 7.5939 118.0233 54.7917 30.6867 174.6270 25 Y 4.1440 7.7462 121.8056 60.1425 37.4617 178.4544 26 K 4.1467 6.9222 122.0962 58.9253 32.1507 178.6450 27 Q 4.1231 7.4765 116.8214 58.3025 28.6617 177.9788 28 L 4.4066 7.6687 118.5404 55.3408 42.0004 177.4530 29 G 4.3077 7.8362 106.6783 45.2270 0.0000 173.3685 30 L 4.7292 8.2177 119.9697 53.0401 43.7192 175.9527 31 N 5.0470 8.6467 119.7939 51.5072 40.9542 175.8005 32 E 3.6814 8.5259 118.5712 59.8663 29.4832 179.5911 33 T 3.8300 7.8436 115.2892 66.5962 68.6048 176.4622 34 E 4.1084 8.8101 120.8911 59.2486 29.5036 179.0268 35 L 3.7126 7.8875 120.4355 58.3045 41.9948 179.1286 36 I 3.6193 7.5598 119.5868 64.1129 36.9991 178.1187 37 L 3.9129 7.9934 121.1343 58.3155 41.9862 179.0832 38 L 3.7672 7.8756 118.7346 57.6693 41.3294 179.6264 39 L 4.0059 7.7766 119.0531 57.6168 41.5094 179.5921 40 K 4.0064 8.3313 118.8046 59.3247 31.8541 179.3768 41 I 3.6698 7.7553 120.1105 64.3021 37.1779 178.1796 42 K 3.9253 8.0053 120.3245 59.7847 31.6612 178.2951 43 M 4.0232 8.4127 118.6349 58.9998 32.0878 177.7511 44 H 3.9633 8.4076 116.2941 59.0693 29.0540 177.5425 45 L 4.2293 8.3235 120.8029 58.1177 41.3305 178.9381 46 E 4.4645 8.0853 115.3965 57.0719 29.5443 177.3359 47 K 4.4217 7.1096 117.1869 56.2133 32.9972 176.5804 48 G 3.2053 7.9315 105.4092 46.5415 0.0000 174.6168 49 S 4.3291 7.7306 115.8777 56.6234 61.4428 173.2258 50 Y 4.7865 7.9446 125.1924 59.6496 38.9259 176.0190 51 F 5.0839 7.8035 120.8593 56.2450 39.8940 171.9169 52 P 4.5024 0.0000 0.0000 62.5305 32.5665 177.8553 53 T 3.9275 8.4117 111.4775 61.1048 70.7621 173.8487 54 P 4.1972 0.0000 0.0000 65.8319 31.2191 178.4071 55 N 4.2599 8.0964 115.2948 56.8480 38.6678 176.7042 56 Q 4.0841 8.0014 118.1892 59.0203 28.8826 178.6083 57 L 4.1375 7.7064 119.0386 57.6914 41.9453 179.1860 58 Q 4.2398 8.2337 116.7042 56.8519 28.5463 175.4599 59 E 3.9978 7.1797 121.5876 57.8203 29.7006 176.6248 60 G 3.9277 9.1393 114.2527 45.6530 0.0000 172.1112 61 M 4.7919 7.8614 119.1488 52.9045 34.8837 177.0115 62 S 4.1359 8.4974 114.5481 60.0886 63.6780 174.5668 63 I 4.3059 6.8034 114.9947 59.8741 38.7841 176.1120 64 S 4.5342 8.5781 117.7424 57.1284 65.6936 175.4467 65 V 3.5077 8.1096 120.0083 66.1165 31.1415 177.1854 66 E 3.8836 8.1032 118.3891 59.4670 29.4539 178.5101 67 E 3.9073 8.0088 118.1477 59.3343 29.4704 178.7823 68 C 3.9554 8.2331 118.8996 62.8622 31.6683 175.5619 69 T 3.8449 8.0223 117.3841 66.9208 68.0383 176.1606 70 N 4.2914 8.1944 118.0156 56.4287 38.4849 177.6656 71 R 3.4960 8.1095 119.6908 58.9579 30.0799 179.1397 72 L 3.9894 7.8294 118.7296 57.7839 41.6886 179.4787 73 R 3.9302 7.9759 118.5914 59.6681 30.0037 178.1364 74 M 4.0540 8.0970 117.9705 58.6952 32.2057 178.0447 75 F 4.8700 8.3184 118.2613 60.9786 39.2565 177.8040 76 I 4.2210 7.9139 120.5179 64.1291 36.7372 178.5821 77 Q 4.1664 8.1083 117.6539 58.5515 28.6916 178.1001 78 K 4.3686 8.5636 116.7667 55.6743 32.6863 176.7285 79 G 3.6738 7.7562 105.9344 46.7886 0.0000 174.4195 80 F 4.6669 8.3792 118.2199 57.3967 40.1971 176.1067 81 L 4.8465 7.6710 119.3820 54.2398 45.4340 173.3411 82 F 5.0914 8.8842 117.5256 55.7290 42.0273 173.4558 83 I 4.5637 8.5731 120.9078 59.7129 38.0889 174.9391 84 E 4.3606 8.7662 130.1742 55.6290 30.8459 175.0194 85 E 4.5427 8.7253 128.2034 55.8451 30.5319 174.9760 86 C 4.7271 8.5311 123.9648 57.7052 32.5423 172.6504 87 E 5.1574 8.1321 118.4836 54.9286 32.8437 176.5343 88 D 4.8954 9.1682 124.8873 52.9138 41.3243 176.6004 89 Q 4.1429 8.6120 116.5855 58.7880 28.8202 176.7006 90 N 4.5410 8.9337 114.2942 53.0845 38.8595 176.0789 91 G 3.9288 8.1078 106.2421 45.4341 0.0000 173.4597 92 I 4.1432 7.6489 121.3302 60.5647 38.2834 175.5128 93 K 4.8530 8.7207 127.0578 56.3854 32.9817 176.1883 94 F 5.0353 8.8319 118.0542 55.5751 41.9534 172.8192 95 E 4.7228 8.6897 118.8320 54.8994 31.2181 175.7898 96 K 4.8219 8.3744 124.2440 54.7903 35.6912 175.0479 97 Y 4.8030 8.8143 125.8960 58.5666 38.8508 175.7715 98 S 4.5236 8.9697 117.5254 56.3491 65.7591 174.0417 99 L 4.1805 8.4789 125.4295 54.9195 41.9282 178.0809 100 Q 4.2493 8.2039 121.0372 59.2178 28.6165 177.7847 101 P 4.2654 0.0000 0.0000 65.1953 31.3022 178.4597 102 L 3.8829 7.6515 118.8690 58.0279 41.9763 178.9781 103 W 4.7618 7.7151 119.0159 59.6243 28.9004 178.6953 104 G 3.7689 8.6010 106.1177 47.9658 0.0000 175.8297 105 K 4.0557 8.3123 121.4461 58.9969 32.0684 179.1888 106 L 4.1569 8.3866 120.7348 58.3339 42.0471 178.3992 107 Y 4.0900 8.5411 119.6575 60.8760 38.7939 177.9153 108 E 3.9970 8.6462 119.5860 59.5025 29.4714 178.7328 109 Y 4.0102 8.2295 119.6240 60.6632 38.8606 178.0681 110 I 3.3662 7.8531 120.6779 64.4850 37.2044 178.4514 111 Q 3.7623 7.7340 118.7449 58.5817 28.5797 178.6109 112 L 3.7830 7.7335 121.1550 58.0717 42.2509 178.8569 113 A 3.7670 7.6857 121.0954 54.9473 17.9423 179.3655 114 Q 3.7967 7.7066 117.1323 59.5629 29.2612 178.1669 115 N 4.4424 7.7689 115.9079 56.0818 38.5389 177.2474 116 Q 4.0297 7.7423 121.1396 59.3701 29.0367 176.8466 *117 T 4.1293 7.5450 115.2070 60.9452 69.2881 175.1985 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 M 8.30 4.50 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.69 0.00 2 K 8.78 4.24 0.00 1.91 1.74 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.66 7.81 3 K 8.68 3.82 0.00 1.81 1.83 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.52 7.81 4 Q 8.08 4.01 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 5 Q 8.09 4.00 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 6 F 8.32 4.03 0.00 3.16 3.23 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 7 I 8.15 3.72 2.05 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 1.66 0.82 0.93 0.00 0.00 8 D 8.03 4.32 0.00 2.76 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 9 M 8.12 4.06 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 10 Q 7.78 3.80 0.00 1.69 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 11 E 8.07 4.04 0.00 2.11 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 2.46 2.47 0.00 12 Q 7.58 4.07 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.55 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 13 G 8.09 3.82 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 0.00 0.00 0.00 14 T 7.98 4.58 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 1.20 0.00 0.00 15 S 8.60 4.48 0.00 3.86 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 16 T 8.24 4.69 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 17 I 8.15 4.61 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.58 0.97 0.00 0.00 18 P 0.00 4.34 0.00 2.30 2.01 0.00 3.84 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 19 N 8.92 4.46 0.00 2.76 2.91 0.00 0.00 6.78 6.74 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 20 L 7.99 4.09 0.00 1.85 1.78 1.08 0.67 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 21 L 8.09 4.07 0.00 2.04 1.99 0.99 0.51 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 22 L 8.10 4.11 0.00 1.71 1.90 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.80 4.40 4.05 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 1.20 0.00 0.00 24 H 7.59 4.68 0.00 2.83 2.45 0.00 5.63 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 25 Y 7.75 4.14 0.00 3.06 3.31 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 26 K 6.92 4.15 0.00 1.36 1.66 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.25 7.81 27 Q 7.48 4.12 0.00 1.98 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 28 L 7.67 4.41 0.00 1.92 1.95 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.84 4.31 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 0.00 30 L 8.22 4.73 0.00 1.94 1.50 0.71 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.65 5.05 0.00 3.02 3.00 0.00 0.00 7.15 7.21 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 32 E 8.53 3.68 0.00 2.07 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 2.44 2.48 0.00 33 T 7.84 3.83 4.32 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 1.17 0.00 0.00 34 E 8.81 4.11 0.00 2.18 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 0.00 2.23 2.32 0.00 35 L 7.89 3.71 0.00 1.29 1.39 0.75 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.56 3.62 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.73 0.87 0.00 0.00 37 L 7.99 3.91 0.00 1.90 2.00 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.88 3.77 0.00 1.61 1.36 0.25 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.78 4.01 0.00 1.82 1.68 0.86 0.94 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 40 K 8.33 4.01 0.00 1.92 1.89 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.66 7.81 41 I 7.76 3.67 1.86 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.63 0.83 0.00 0.00 42 K 8.01 3.93 0.00 2.00 2.04 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.22 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.70 1.63 7.81 43 M 8.41 4.02 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 44 H 8.41 3.96 0.00 3.44 3.66 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.32 4.23 0.00 1.99 1.93 1.11 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.09 4.46 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 2.40 2.44 0.00 47 K 7.11 4.42 0.00 1.80 1.79 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.28 7.81 48 G 7.93 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 0.00 0.00 0.00 49 S 7.73 4.33 0.00 3.78 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 50 Y 7.94 4.79 0.00 3.24 3.05 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 51 F 7.80 5.08 0.00 2.93 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 52 P 0.00 4.50 0.00 2.02 1.81 0.00 4.17 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 2.05 1.84 0.00 53 T 8.41 3.93 4.18 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 1.16 0.00 0.00 54 P 0.00 4.20 0.00 2.14 2.12 0.00 3.53 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 55 N 8.10 4.26 0.00 2.81 2.79 0.00 0.00 7.23 7.07 0.00 0.00 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 Q 8.00 4.08 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 57 L 7.71 4.14 0.00 1.72 1.69 0.83 0.70 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 58 Q 8.23 4.24 0.00 2.52 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.69 0.00 59 E 7.18 4.00 0.00 2.10 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 2.32 2.30 0.00 60 G 9.14 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 0.00 0.00 0.00 61 M 7.86 4.79 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.40 0.00 62 S 8.50 4.14 0.00 3.96 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 63 I 6.80 4.31 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.59 0.87 0.00 0.00 64 S 8.58 4.53 0.00 4.06 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 65 V 8.11 3.51 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 1.09 0.00 0.00 0.91 0.00 0.00 66 E 8.10 3.88 0.00 2.05 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 2.35 2.39 0.00 67 E 8.01 3.91 0.00 2.05 1.93 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 2.29 2.28 0.00 68 C 8.23 3.96 0.00 3.04 3.05 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 69 T 8.02 3.84 4.37 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 1.21 0.00 0.00 70 N 8.19 4.29 0.00 2.83 2.80 0.00 0.00 7.09 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 71 R 8.11 3.50 0.00 1.87 1.35 0.00 2.93 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.30 0.00 72 L 7.83 3.99 0.00 1.86 1.81 0.92 0.62 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 73 R 7.98 3.93 0.00 2.01 2.06 0.00 3.12 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 74 M 8.10 4.05 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.79 0.00 75 F 8.32 4.87 0.00 3.32 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 76 I 7.91 4.22 2.14 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 1.03 0.00 0.00 77 Q 8.11 4.17 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.88 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 78 K 8.56 4.37 0.00 2.01 1.89 0.00 1.93 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.72 7.81 79 G 7.76 3.67 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 0.00 0.00 0.00 80 F 8.38 4.67 0.00 2.79 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 81 L 7.67 4.85 0.00 1.65 1.59 0.87 0.83 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 82 F 8.88 5.09 0.00 3.10 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 83 I 8.57 4.56 1.88 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.87 0.49 0.00 0.00 84 E 8.77 4.36 0.00 1.51 1.65 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 2.26 2.44 0.00 85 E 8.73 4.54 0.00 1.93 1.76 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 2.12 2.20 0.00 86 C 8.53 4.73 0.00 1.23 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 0.00 0.00 0.00 87 E 8.13 5.16 0.00 1.75 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 2.18 2.21 0.00 88 D 9.17 4.90 0.00 2.89 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 89 Q 8.61 4.14 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 7.02 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 90 N 8.93 4.54 0.00 2.82 2.87 0.00 0.00 7.04 7.67 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 91 G 8.11 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 0.00 0.00 0.00 92 I 7.65 4.14 2.30 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 1.37 0.65 0.97 0.00 0.00 93 K 8.72 4.85 0.00 1.64 1.67 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.43 7.81 94 F 8.83 5.04 0.00 3.01 3.05 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 95 E 8.69 4.72 0.00 1.16 1.12 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 1.98 1.72 0.00 96 K 8.37 4.82 0.00 1.70 1.34 0.00 1.36 0.00 0.00 0.61 0.00 0.00 2.46 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.22 1.47 7.81 97 Y 8.81 4.80 0.00 3.03 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 98 S 8.97 4.52 0.00 3.35 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 99 L 8.48 4.18 0.00 1.63 0.93 0.85 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.20 4.25 0.00 2.45 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.28 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 101 P 0.00 4.27 0.00 2.10 2.11 0.00 3.68 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 102 L 7.65 3.88 0.00 1.67 1.20 0.85 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 103 W 7.72 4.76 0.00 3.57 3.16 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 0.00 104 G 8.60 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 0.00 105 K 8.31 4.06 0.00 2.04 1.96 0.00 1.32 0.00 0.00 1.34 0.00 0.00 2.55 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.47 7.81 106 L 8.39 4.16 0.00 2.01 2.18 1.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.54 4.09 0.00 3.22 3.23 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 0.00 108 E 8.65 4.00 0.00 2.26 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 2.66 2.54 0.00 109 Y 8.23 4.01 0.00 3.16 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 0.00 110 I 7.85 3.37 1.80 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.73 0.74 0.00 0.00 111 Q 7.73 3.76 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 1.64 2.29 0.00 112 L 7.73 3.78 0.00 1.83 1.60 0.89 1.25 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 0.00 113 A 7.69 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 7.71 3.80 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 115 N 7.77 4.44 0.00 2.82 2.82 0.00 0.00 7.15 7.72 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 0.00 116 Q 7.74 4.03 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 *117 T 7.54 4.13 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 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.