NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2854 8.3149 120.1307 56.3891 34.1793 176.2128 4 I 3.9798 7.4689 117.8959 60.7354 38.2287 173.9117 5 I 4.1391 9.4089 128.3665 60.4533 39.1405 174.4723 6 H 4.9664 8.7038 125.2542 54.7268 28.8239 175.2960 7 L 4.6163 8.6395 124.4538 54.2545 43.0539 176.2391 8 T 5.0417 8.3155 108.4598 58.1780 72.1404 174.8353 9 D 4.3968 9.1377 121.6898 57.9497 40.8856 178.8072 10 D 4.5565 8.1679 117.0792 56.2775 41.1722 177.6919 11 S 4.5942 7.9593 113.2578 58.6199 63.6301 175.8327 12 F 3.8472 7.9798 125.2228 61.5698 39.0522 175.8949 13 D 4.4261 8.3724 116.9823 58.1632 40.7799 178.2195 14 T 3.9082 7.7121 112.1859 65.0793 67.5897 175.7107 15 D 4.3917 8.2508 120.5834 56.3054 41.1203 176.8233 16 V 3.7843 7.4617 116.1908 64.2660 32.7093 177.6157 17 L 4.0434 7.3940 117.9568 56.9770 41.8592 178.8521 18 K 4.5201 7.5164 115.5428 55.9547 32.7873 177.1128 19 A 3.9580 7.8780 125.7797 53.7726 18.2913 180.9009 20 D 4.8171 8.1884 111.8252 54.8654 40.3558 175.2254 21 G 3.9654 7.6308 111.4778 45.3219 0.0000 173.6669 22 A 4.8477 8.5349 126.5156 50.3593 21.4035 175.7830 23 I 4.7577 8.4176 123.2057 60.0667 40.3206 174.7520 24 L 4.9723 9.0137 130.7696 53.5965 43.6516 175.0925 25 V 4.7694 9.2386 127.1073 61.2515 34.2017 173.8998 26 D 5.3140 8.8547 127.4103 52.5384 43.6875 174.7942 27 F 5.1247 9.3565 127.0033 56.7276 40.1287 175.2096 28 W 5.6540 9.0186 120.1990 54.8794 32.5810 173.6494 29 A 3.9418 8.0527 119.7188 49.6712 21.3206 177.0251 30 E 4.0442 8.3485 121.8680 58.6882 29.8318 177.6951 31 W 4.6750 7.0660 112.9601 56.4742 29.0862 175.5988 32 C 4.7070 7.6754 121.0980 58.2006 32.0373 173.8905 33 G 3.6591 8.7828 115.3166 47.6762 0.0000 173.1487 34 P 4.4189 0.0000 0.0000 65.2962 31.4590 178.3139 35 C 4.0952 8.1053 114.9642 62.9140 27.9236 176.0626 36 K 3.9938 7.7841 118.9940 59.2429 31.7132 178.5849 37 M 4.1642 7.7281 118.6219 58.4089 32.3210 178.1472 38 I 3.8264 7.6734 117.3652 62.8619 38.0877 177.1518 39 A 3.7710 7.5982 121.8428 55.1098 17.8844 177.8078 40 P 4.1482 0.0000 0.0000 65.5670 31.6735 178.6647 41 I 3.7914 7.5149 118.1011 64.5437 37.1150 178.0446 42 L 3.8888 8.1363 119.9983 58.2211 40.9193 179.5126 43 D 4.2942 7.8323 118.5244 57.3743 40.6011 178.6698 44 E 3.8609 8.2491 119.1144 59.2458 29.5402 179.3155 45 I 3.7509 7.6069 119.3022 63.9563 36.9292 177.9655 46 A 3.9764 7.8765 121.0699 55.6421 18.5191 178.9940 47 D 4.4000 7.6519 116.8722 57.5955 40.7110 178.6781 48 E 4.0768 7.9926 118.7639 59.4418 30.1343 178.0605 49 Y 4.4535 8.2897 114.1363 57.3333 38.2961 175.1474 50 Q 4.1048 8.3085 123.1852 57.7354 29.4369 177.3594 51 G 4.0521 9.3368 114.1101 46.5543 0.0000 174.6360 52 K 4.5888 7.6769 118.7096 54.6269 35.5370 180.1113 53 L 4.8386 8.3686 117.5461 54.5061 45.8177 175.0610 54 T 4.5191 9.2107 120.1897 61.6938 71.6928 173.4520 55 V 4.4467 8.3998 127.3658 62.0094 32.7317 174.3663 56 A 5.1891 9.2435 130.2536 49.9763 22.1993 174.7601 57 K 4.9780 9.1215 120.2799 54.4175 36.1528 175.2430 58 L 4.8848 8.7794 125.3463 53.1092 45.1683 174.8855 59 N 3.9911 8.7468 126.6808 52.8983 39.2701 175.5105 60 I 3.8583 8.2252 121.0489 63.3163 37.7262 177.3277 61 D 4.5441 8.0816 122.5101 57.1884 41.1377 177.6738 62 Q 4.1629 8.4479 117.4526 57.9814 29.2603 176.1669 63 N 5.1208 8.0380 115.1392 50.5431 38.5786 173.1529 64 P 4.4843 0.0000 0.0000 64.4391 32.2121 178.9067 65 G 3.7420 8.3539 108.4549 48.5595 0.0000 175.5184 66 T 3.8984 8.2413 116.4460 66.2914 68.9774 176.5344 67 A 3.8543 8.3632 123.9587 54.9013 18.7151 177.4451 68 P 4.1947 0.0000 0.0000 65.8194 31.4048 178.7994 69 K 3.8949 7.5520 115.6767 58.5135 31.8727 177.1034 70 Y 4.4451 7.8295 115.1071 56.8571 38.5177 175.7343 71 G 3.8515 8.0263 107.7181 46.1416 0.0000 174.4201 72 I 3.6154 8.0249 122.2923 62.2502 37.4088 176.9264 73 R 4.6235 8.6071 121.2669 55.8256 32.0974 172.5928 74 G 4.4109 7.7436 102.6313 44.6320 0.0000 171.6914 75 I 4.8264 7.8814 112.1691 57.8553 40.8473 173.2397 76 P 4.7444 0.0000 0.0000 63.3868 32.8329 174.9044 77 T 4.9736 8.7246 118.3766 61.9022 71.5551 172.8936 78 L 5.1659 9.1219 127.1915 53.1506 44.0208 175.4146 79 L 4.8703 9.1280 124.6416 52.8324 44.7560 175.5041 80 L 5.0231 8.2785 125.8927 53.7163 43.2667 174.9576 81 F 5.1076 9.5545 129.0151 57.2856 40.9223 175.9764 82 K 4.7747 9.1487 126.0501 53.8909 35.3680 174.7907 83 N 4.0700 9.0158 124.9574 53.4946 36.5623 175.4103 84 G 4.0788 8.3186 102.3731 45.1973 0.0000 172.4127 85 E 4.8451 8.2826 118.7293 54.0884 33.1182 175.1543 86 V 3.6707 8.1705 119.8895 62.0518 31.1003 175.1004 87 A 4.2864 8.2730 130.9158 53.1576 18.4490 177.8558 88 A 4.8253 7.2633 113.8697 50.7357 22.9851 174.0135 89 T 4.7737 8.4787 109.5585 61.7888 70.3708 172.8410 90 K 4.3359 8.5665 127.1237 55.3788 36.3326 174.0929 91 V 4.6376 9.0003 127.5020 61.7811 33.0166 173.9435 92 G 4.1132 8.5233 113.5853 43.1335 0.0000 174.1339 93 A 4.1730 8.0813 124.9838 51.3665 16.5084 177.6395 94 L 4.3019 7.8690 121.5949 54.6422 42.8876 177.4534 95 S 4.6334 8.9874 116.1900 56.9170 66.0042 174.9939 96 K 3.9280 8.5589 122.2939 59.6446 31.7035 178.8747 97 G 3.5296 7.9610 105.3073 48.0577 0.0000 175.5353 98 Q 4.0811 7.9704 120.9433 58.4930 28.5496 179.4129 99 L 4.0138 8.1465 119.9524 57.8463 41.7413 179.2653 100 K 4.3674 7.9032 119.7416 59.0991 32.0250 179.1908 101 E 4.0075 8.4563 118.5272 59.2726 29.4092 178.9997 102 F 4.2370 8.2598 120.7091 61.4785 39.5350 177.0979 103 L 3.7978 8.3598 118.7036 57.7694 41.3324 178.7758 104 D 4.4772 8.3223 117.8882 57.8699 40.9412 179.0840 105 A 4.1098 7.8067 119.6045 55.2375 18.6053 178.9926 106 N 4.3898 7.7768 111.2249 54.1888 38.4871 175.5302 107 L 4.3015 7.5682 126.2287 54.7958 42.1286 176.1542 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 3 K 8.31 4.29 0.00 1.74 1.91 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.70 7.81 4 I 7.47 3.98 1.72 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.50 0.74 0.00 0.00 5 I 9.41 4.14 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.52 0.85 0.00 0.00 6 H 8.70 4.97 0.00 3.07 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.64 4.62 0.00 1.61 1.70 0.81 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.32 5.04 4.28 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 1.24 0.00 0.00 9 D 9.14 4.40 0.00 2.69 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 10 D 8.17 4.56 0.00 2.67 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 11 S 7.96 4.59 0.00 4.08 4.12 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 12 F 7.98 3.85 0.00 3.27 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 13 D 8.37 4.43 0.00 2.85 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 14 T 7.71 3.91 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 1.21 0.00 0.00 15 D 8.25 4.39 0.00 2.75 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 16 V 7.46 3.78 0.76 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 -0.20 0.00 0.00 -0.03 0.00 0.00 17 L 7.39 4.04 0.00 1.94 1.78 1.15 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.52 4.52 0.00 1.82 1.76 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.37 1.34 7.81 19 A 7.88 3.96 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 20 D 8.19 4.82 0.00 2.85 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 21 G 7.63 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 0.00 0.00 0.00 22 A 8.53 4.85 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 23 I 8.42 4.76 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.01 0.78 0.00 0.00 24 L 9.01 4.97 0.00 1.75 1.52 1.12 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 25 V 9.24 4.77 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 0.59 0.00 0.00 0.80 0.00 0.00 26 D 8.85 5.31 0.00 2.77 2.45 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 27 F 9.36 5.12 0.00 3.13 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 28 W 9.02 5.65 0.00 3.42 3.41 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 29 A 8.05 3.94 -0.16 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 30 E 8.35 4.04 0.00 1.84 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 2.38 2.47 0.00 31 W 7.07 4.67 0.00 3.56 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 32 C 7.68 4.71 0.00 2.66 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 33 G 8.78 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 34 P 0.00 4.42 0.00 2.19 2.13 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 35 C 8.11 4.10 0.00 3.23 3.15 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 36 K 7.78 3.99 0.00 1.82 2.03 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 37 M 7.73 4.16 0.00 2.03 2.30 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 2.75 2.53 0.00 38 I 7.67 3.83 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.84 0.00 0.00 39 A 7.60 3.77 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 40 P 0.00 4.15 0.00 1.99 2.08 0.00 3.76 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 1.98 2.11 0.00 41 I 7.51 3.79 1.93 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 1.84 0.91 0.90 0.00 0.00 42 L 8.14 3.89 0.00 1.67 1.63 0.79 0.88 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 43 D 7.83 4.29 0.00 2.78 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 44 E 8.25 3.86 0.00 2.15 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 2.51 0.00 45 I 7.61 3.75 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.86 0.45 0.00 0.00 46 A 7.88 3.98 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 47 D 7.65 4.40 0.00 2.70 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 48 E 7.99 4.08 0.00 2.18 2.16 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 2.39 2.37 0.00 49 Y 8.29 4.45 0.00 3.13 2.99 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 50 Q 8.31 4.10 0.00 2.27 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.84 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 51 G 9.34 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 0.00 0.00 0.00 0.00 52 K 7.68 4.59 0.00 1.69 1.64 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 1.23 7.81 53 L 8.37 4.84 0.00 1.69 1.66 0.96 0.78 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 54 T 9.21 4.52 4.30 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 1.16 0.00 0.00 55 V 8.40 4.45 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 0.87 0.00 0.00 0.87 0.00 0.00 56 A 9.24 5.19 1.06 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 57 K 9.12 4.98 0.00 1.67 1.73 0.00 1.30 0.00 0.00 1.27 0.00 0.00 2.51 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.20 1.17 7.81 58 L 8.78 4.88 0.00 1.65 1.15 0.98 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.75 3.99 0.00 2.31 2.46 0.00 0.00 6.91 7.97 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 60 I 8.23 3.86 1.89 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 1.18 0.65 1.07 0.00 0.00 61 D 8.08 4.54 0.00 2.74 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 62 Q 8.45 4.16 0.00 1.95 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.19 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 63 N 8.04 5.12 0.00 2.81 3.06 0.00 0.00 6.67 7.37 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 64 P 0.00 4.48 0.00 2.18 2.19 0.00 3.93 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 65 G 8.35 3.74 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 66 T 8.24 3.90 4.16 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 0.33 0.00 0.00 67 A 8.36 3.85 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 68 P 0.00 4.19 0.00 2.14 2.10 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 69 K 7.55 3.89 0.00 1.47 1.42 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.30 7.81 70 Y 7.83 4.45 0.00 2.85 2.87 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 71 G 8.03 3.85 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 0.00 72 I 8.02 3.62 1.77 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.35 0.87 0.00 0.00 73 R 8.61 4.62 0.00 1.78 1.78 0.00 3.24 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 74 G 7.74 4.41 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 0.00 75 I 7.88 4.83 1.88 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 1.50 0.72 0.93 0.00 0.00 76 P 0.00 4.74 0.00 2.16 2.26 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 77 T 8.72 4.97 4.39 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 1.23 0.00 0.00 78 L 9.12 5.17 0.00 1.50 1.58 0.77 0.40 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 79 L 9.13 4.87 0.00 2.03 1.63 0.95 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.28 5.02 0.00 1.91 1.59 0.79 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.55 5.11 0.00 2.97 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 82 K 9.15 4.77 0.00 1.35 1.62 0.00 1.95 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 1.26 7.81 83 N 9.02 4.07 0.00 2.83 2.88 0.00 0.00 7.10 7.53 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 84 G 8.32 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 85 E 8.28 4.85 0.00 2.04 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 2.30 2.28 0.00 86 V 8.17 3.67 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 0.58 0.00 0.00 0.54 0.00 0.00 87 A 8.27 4.29 1.24 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 0.00 0.00 88 A 7.26 4.83 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 89 T 8.48 4.77 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 1.24 0.00 0.00 90 K 8.57 4.34 0.00 1.12 1.15 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.77 1.16 7.81 91 V 9.00 4.64 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 0.89 0.00 0.00 0.91 0.00 0.00 92 G 8.52 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.08 4.17 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 94 L 7.87 4.30 0.00 1.58 1.57 0.68 0.84 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 95 S 8.99 4.63 0.00 3.98 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 96 K 8.56 3.93 0.00 1.88 1.86 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.60 7.81 97 G 7.96 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 98 Q 7.97 4.08 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 99 L 8.15 4.01 0.00 1.84 1.66 0.85 0.94 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 0.00 100 K 7.90 4.37 0.00 2.14 2.02 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.24 7.81 101 E 8.46 4.01 0.00 2.25 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 2.37 2.36 0.00 102 F 8.26 4.24 0.00 3.22 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 0.00 103 L 8.36 3.80 0.00 1.80 1.79 0.08 1.31 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 0.00 104 D 8.32 4.48 0.00 2.72 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 0.00 105 A 7.81 4.11 1.36 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 0.00 106 N 7.78 4.39 0.00 2.37 2.58 0.00 0.00 7.01 8.01 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 0.00 107 L 7.57 4.30 0.00 1.77 1.54 0.93 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00