NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2622 8.2644 123.5816 51.8280 18.7289 175.2782 2 R 3.7633 8.3276 121.7052 55.7422 30.6508 170.6893 3 V 4.0648 8.2792 125.9862 62.1257 31.7890 175.8656 4 K 3.8074 7.2793 122.6689 54.1244 34.6478 171.4634 5 R 3.8207 8.1897 128.1083 54.6788 31.9146 174.5886 6 G 3.5946 8.9186 117.4288 46.4526 0.0000 176.1466 7 V 3.5695 7.9585 114.7904 64.2180 31.3631 178.6483 8 I 3.7056 7.7507 112.0049 63.7568 37.2145 177.9521 9 A 3.8735 7.8238 122.3072 55.0473 18.4107 179.4237 10 R 3.8192 8.4373 117.4440 59.0487 30.0994 178.2530 11 A 3.9805 7.9596 121.0122 55.5137 18.3058 179.9520 12 R 3.8873 7.5689 115.7267 59.6675 30.2200 178.8871 13 H 3.9748 7.5712 115.9077 58.5993 28.5719 177.4411 14 K 3.8477 7.9963 121.1094 59.7335 31.7612 178.2807 15 K 3.9531 7.8263 118.1964 59.8628 32.3306 178.0320 16 I 3.9532 7.9877 119.5112 64.6367 37.0930 178.4713 17 L 4.0832 8.7803 119.9995 57.8346 41.1539 179.6765 18 K 4.0376 8.2424 119.1566 58.9175 32.2057 177.9026 19 Q 4.4162 8.0100 115.4705 55.8156 29.2615 176.3512 20 A 4.6142 7.4018 121.5963 50.4714 19.6008 176.9251 21 K 3.8840 7.3389 117.9936 58.5296 32.4885 176.9141 22 G 3.9904 8.8150 111.7494 45.5775 0.0000 173.5823 23 Y 4.5640 6.9420 116.4120 58.0389 38.6461 175.1226 24 Y 4.4397 8.7830 123.7120 58.3394 40.9746 175.9986 25 G 3.0683 7.3000 114.6655 46.6960 0.0000 176.4401 26 A 4.1894 8.4718 130.1407 53.1133 18.8615 180.2711 27 R 4.0558 8.0743 115.6643 58.1077 30.1978 178.1157 28 S 4.8157 7.6900 109.8656 57.9627 64.5218 174.7307 29 R 4.3261 7.9676 118.5713 57.2224 31.8707 176.1664 30 V 4.1017 7.7663 119.1692 61.5132 32.0580 174.9456 31 Y 4.2560 8.7518 128.4941 61.4032 37.9880 177.8381 32 R 3.5730 8.1716 118.4363 59.7342 30.0705 178.4568 33 V 3.4784 7.6629 116.7871 65.4245 31.6056 177.5788 34 A 4.3024 8.0168 122.2135 54.7003 18.2808 178.8360 35 F 3.7688 8.2404 119.2149 62.0087 39.1917 177.2749 36 Q 4.0465 7.8610 116.7331 58.8973 28.5948 179.3050 37 A 3.9649 7.5661 121.1951 54.4886 18.7806 179.5988 38 V 3.5428 7.8089 116.9671 66.2659 31.5172 178.2042 39 I 3.4871 7.4068 119.3215 64.3807 36.7758 178.4380 40 K 3.9348 7.7909 119.8960 58.4087 31.8463 178.5494 41 A 4.5285 7.6636 121.0532 55.3547 18.3698 179.7236 42 G 3.6709 8.5304 104.2671 48.0148 0.0000 175.7795 43 Q 3.9279 8.1954 120.4318 59.0336 28.7438 178.3406 44 Y 4.4803 8.7239 118.5078 61.2877 37.8779 178.7110 45 A 4.0942 8.3273 121.5793 55.3065 18.0821 178.9564 46 Y 3.9069 8.1698 118.0007 60.7975 38.8833 178.2794 47 R 3.9225 8.1852 119.4349 59.8779 30.1755 178.1884 48 D 4.4634 8.6870 118.5166 56.5678 40.6196 178.7249 49 R 4.0286 8.0136 118.8204 59.6636 30.5159 178.7727 50 R 4.0331 7.4308 117.0657 59.2392 30.0062 179.1768 51 Q 4.0426 7.9718 117.9447 58.8268 28.6891 178.4514 52 R 3.7918 8.8191 120.9602 59.7327 29.9430 178.5976 53 K 4.0702 7.7122 116.4848 59.3799 32.0609 179.6338 54 R 3.8842 8.2676 118.8130 59.1482 30.1688 178.8907 55 Q 3.7510 7.7358 117.2239 58.8287 28.6883 178.5972 56 F 3.4570 7.4258 118.5454 60.3673 38.8460 177.3682 57 R 3.8684 6.7407 117.7344 59.6627 29.6912 177.9523 58 Q 4.0645 7.7421 115.4095 57.6570 28.7437 177.9245 59 L 3.8438 7.4311 123.2881 57.8848 42.1896 178.4511 60 W 4.4561 7.9979 119.2377 60.0339 29.0554 178.1600 61 I 3.7444 8.1268 119.3766 64.7049 36.0827 177.9299 62 A 3.9280 7.6150 121.5065 55.5184 18.1379 179.8389 63 R 3.9441 7.7637 114.0841 59.0836 29.8273 178.7585 64 I 3.6044 8.3950 120.9157 64.4179 37.2112 177.6401 65 N 4.4627 8.7273 117.7763 56.6499 38.6926 176.7324 66 A 3.8936 7.5985 120.9469 55.1353 18.5454 179.1756 67 A 3.6617 7.6779 118.9152 55.1445 18.2608 179.3151 68 A 3.9349 8.3924 119.0827 55.6626 18.2550 179.9945 69 R 4.7007 8.4714 118.1541 58.7821 29.8527 178.3573 70 Q 4.0471 7.9566 118.9824 58.3896 29.0295 175.8044 71 N 4.7663 7.9663 115.9681 53.0622 38.6382 174.8580 72 G 3.8096 8.8153 104.9017 45.9986 0.0000 173.9654 73 I 4.4809 7.4227 116.5803 58.3001 41.5988 173.7018 74 S 4.7969 8.4270 120.3002 57.9032 65.4587 174.5204 75 Y 4.2280 8.7151 123.5655 61.6078 38.4907 178.2049 76 S 4.1737 8.4446 115.5552 61.2147 62.8489 176.1735 77 K 3.7819 8.2245 120.1929 59.9697 32.1437 178.7923 78 F 4.0227 8.5492 120.6759 61.5742 39.1487 177.3303 79 I 3.2758 8.0448 119.2623 64.1603 36.7954 177.6499 80 N 4.2371 8.4895 118.2910 57.2511 38.4871 176.2583 81 G 3.7841 8.8323 107.3869 47.8655 0.0000 175.0056 82 L 3.7199 7.4139 122.0258 56.9490 41.9186 179.6519 83 K 3.9774 8.0889 117.9494 59.4481 32.2505 178.6923 84 K 4.1282 8.7526 117.9940 58.7338 32.1726 177.3981 85 A 3.5940 9.9004 119.7808 53.0770 18.1191 177.5388 86 S 3.5173 8.7692 118.3452 58.9661 61.7617 177.2933 87 V 2.3134 8.9948 123.2179 60.6547 33.5858 172.1906 88 E 3.5369 8.8932 128.3787 55.6622 27.4616 170.8456 89 I 4.3557 7.4639 114.1035 58.4458 39.8383 175.7289 90 D 4.1984 8.8310 122.8407 53.9044 42.5971 174.3798 91 R 3.8468 7.9007 126.6043 54.7042 31.8301 177.4628 92 K 4.2125 8.3173 118.4216 58.5658 33.0534 178.3205 93 I 2.0000 6.8650 117.7277 63.0816 37.7780 176.6022 94 L 3.8849 7.4715 121.2565 58.0004 42.5995 179.2055 95 A 4.6638 7.6605 122.1405 51.6794 17.4383 178.0209 96 D 4.5721 9.7407 122.5076 54.7357 40.4069 177.0556 97 I 3.7120 7.9201 115.1301 64.4567 36.9151 177.2799 98 A 3.4511 7.4036 120.7333 54.7206 17.9868 178.9213 99 V 3.7750 7.5684 115.2855 64.0566 32.2254 176.6347 100 F 5.0937 7.3391 113.5138 57.1289 40.1491 175.4999 101 D 4.7126 7.7914 116.1299 52.4913 43.3044 176.7062 102 K 4.1597 7.7209 121.4716 58.9189 32.5550 179.0558 103 V 3.7026 7.8900 118.5238 65.6539 31.5373 177.4906 104 A 4.1385 8.4541 120.1637 54.2725 18.2275 179.5183 105 F 4.0581 8.0943 119.6260 61.7075 39.5133 177.2934 106 T 3.8513 8.1241 115.2051 66.8962 68.2998 176.0546 107 A 3.9522 8.0291 122.4642 55.4029 18.3964 179.6993 108 L 3.8739 7.5117 117.0689 58.0233 41.6715 180.0314 109 V 4.1138 7.6881 118.0417 65.9617 31.3156 177.9622 110 E 3.9977 8.6010 118.8880 59.3030 29.4243 178.7695 111 K 3.7390 8.0822 119.3382 59.7768 31.8614 178.4274 112 A 3.7397 8.2269 119.8139 55.2114 18.8673 179.1705 113 K 3.8748 8.6903 117.2352 59.7380 31.9997 178.9929 114 A 4.2320 8.0015 120.0913 54.3638 18.8316 178.7675 115 A 4.1945 7.7916 116.3929 53.3238 18.5329 178.0724 116 L 4.4672 7.0794 116.1151 54.8284 43.5342 176.3263 117 A 4.2819 7.5315 124.6102 52.7694 18.4699 176.7866 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 4.26 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 2 R 8.33 3.76 0.00 1.86 1.85 0.00 3.38 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 3 V 8.28 4.06 2.07 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 0.89 0.00 0.00 0.97 0.00 0.00 4 K 7.28 3.81 0.00 1.92 1.69 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.48 7.81 5 R 8.19 3.82 0.00 1.95 2.09 0.00 3.21 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 6 G 8.92 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 7 V 7.96 3.57 2.07 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 0.83 0.00 0.00 0.92 0.00 0.00 8 I 7.75 3.71 1.85 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 1.55 0.67 0.90 0.00 0.00 9 A 7.82 3.87 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 10 R 8.44 3.82 0.00 1.88 2.24 0.00 3.17 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 11 A 7.96 3.98 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 12 R 7.57 3.89 0.00 1.69 1.96 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 1.62 1.87 0.00 13 H 7.57 3.97 0.00 3.06 3.21 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.00 3.85 0.00 2.08 1.94 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 15 K 7.83 3.95 0.00 1.84 2.14 0.00 1.93 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.57 7.81 16 I 7.99 3.95 2.46 0.00 0.00 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 2.22 0.44 1.13 0.00 0.00 17 L 8.78 4.08 0.00 1.94 1.81 1.13 1.06 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 18 K 8.24 4.04 0.00 1.79 2.21 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.53 7.81 19 Q 8.01 4.42 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 20 A 7.40 4.61 1.63 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 0.00 0.00 21 K 7.34 3.88 0.00 1.63 1.70 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.64 7.81 22 G 8.81 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 0.00 0.00 0.00 23 Y 6.94 4.56 0.00 3.12 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 24 Y 8.78 4.44 0.00 3.09 2.89 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 25 G 7.30 3.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.47 4.19 1.27 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 0.00 0.00 0.00 27 R 8.07 4.06 0.00 2.17 2.08 0.00 3.11 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 28 S 7.69 4.82 0.00 3.97 4.19 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 29 R 7.97 4.33 0.00 1.78 1.98 0.00 3.16 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 30 V 7.77 4.10 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 1.05 0.00 0.00 0.96 0.00 0.00 31 Y 8.75 4.26 0.00 3.04 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 32 R 8.17 3.57 0.00 1.94 1.91 0.00 3.22 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 33 V 7.66 3.48 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 0.97 0.00 0.00 0.92 0.00 0.00 34 A 8.02 4.30 1.51 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 0.00 0.00 35 F 8.24 3.77 0.00 2.26 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 36 Q 7.86 4.05 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 37 A 7.57 3.96 1.14 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 0.00 0.00 38 V 7.81 3.54 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 0.93 0.00 0.00 1.03 0.00 0.00 39 I 7.41 3.49 1.69 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 1.02 0.01 0.80 0.00 0.00 40 K 7.79 3.93 0.00 1.61 1.55 0.00 1.48 0.00 0.00 1.21 0.00 0.00 2.83 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.34 0.52 7.81 41 A 7.66 4.53 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.53 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 43 Q 8.20 3.93 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 44 Y 8.72 4.48 0.00 3.14 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 45 A 8.33 4.09 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.17 3.91 0.00 3.15 3.11 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 47 R 8.19 3.92 0.00 2.11 2.31 0.00 3.22 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 48 D 8.69 4.46 0.00 2.75 2.68 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 49 R 8.01 4.03 0.00 1.90 1.91 0.00 3.09 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 50 R 7.43 4.03 0.00 2.02 1.94 0.00 3.00 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 1.59 1.54 0.00 51 Q 7.97 4.04 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 52 R 8.82 3.79 0.00 1.99 2.11 0.00 3.24 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.78 0.00 53 K 7.71 4.07 0.00 1.88 1.90 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.73 1.64 7.81 54 R 8.27 3.88 0.00 1.77 1.91 0.00 3.09 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 55 Q 7.74 3.75 0.00 1.62 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 56 F 7.43 3.46 0.00 2.65 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 57 R 6.74 3.87 0.00 2.09 2.03 0.00 3.16 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 58 Q 7.74 4.06 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 59 L 7.43 3.84 0.00 1.57 1.57 1.01 0.75 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 60 W 8.00 4.46 0.00 3.68 3.29 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 61 I 8.13 3.74 1.76 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 1.53 0.87 0.12 0.00 0.00 62 A 7.61 3.93 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 63 R 7.76 3.94 0.00 1.99 2.18 0.00 2.80 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 1.72 2.12 0.00 64 I 8.40 3.60 2.34 0.00 0.00 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 1.68 0.67 1.32 0.00 0.00 65 N 8.73 4.46 0.00 2.87 2.91 0.00 0.00 7.15 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 66 A 7.60 3.89 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 67 A 7.68 3.66 0.35 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 68 A 8.39 3.93 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 69 R 8.47 4.70 0.00 1.92 2.35 0.00 3.20 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 70 Q 7.96 4.05 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.19 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 71 N 7.97 4.77 0.00 2.91 2.84 0.00 0.00 7.07 6.95 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 72 G 8.82 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 73 I 7.42 4.48 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 1.05 0.00 0.00 74 S 8.43 4.80 0.00 4.18 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 75 Y 8.72 4.23 0.00 3.20 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 76 S 8.44 4.17 0.00 3.97 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 77 K 8.22 3.78 0.00 1.89 1.92 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.51 7.81 78 F 8.55 4.02 0.00 2.99 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.04 3.28 1.68 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 -0.30 0.77 0.00 0.00 80 N 8.49 4.24 0.00 2.77 2.90 0.00 0.00 7.15 8.19 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 81 G 8.83 3.78 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 0.00 0.00 0.00 82 L 7.41 3.72 0.00 1.40 1.61 0.48 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.09 3.98 0.00 1.61 1.99 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.44 7.81 84 K 8.75 4.13 0.00 1.82 1.81 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.41 7.81 85 A 9.90 3.59 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 86 S 8.77 3.52 0.00 3.87 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 87 V 8.99 2.31 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 0.71 0.00 0.00 0.91 0.00 0.00 88 E 8.89 3.54 0.00 2.48 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 89 I 7.46 4.36 1.85 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 1.27 0.83 0.88 0.00 0.00 90 D 8.83 4.20 0.00 2.72 2.54 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 91 R 7.90 3.85 0.00 1.81 1.72 0.00 3.12 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 92 K 8.32 4.21 0.00 1.99 2.14 0.00 2.01 0.00 0.00 1.95 0.00 0.00 3.31 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.61 1.55 7.81 93 I 6.86 2.00 0.56 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 0.78 0.06 0.35 0.00 0.00 94 L 7.47 3.88 0.00 1.55 1.80 0.90 1.02 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 95 A 7.66 4.66 1.51 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 0.00 0.00 96 D 9.74 4.57 0.00 2.82 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 97 I 7.92 3.71 1.97 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.75 1.03 0.00 0.00 98 A 7.40 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.57 3.78 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.69 0.00 0.00 100 F 7.34 5.09 0.00 3.08 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 0.00 101 D 7.79 4.71 0.00 2.78 2.58 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 0.00 102 K 7.72 4.16 0.00 1.87 1.87 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.51 7.81 103 V 7.89 3.70 2.12 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 1.07 0.00 0.00 0.97 0.00 0.00 104 A 8.45 4.14 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 0.00 105 F 8.09 4.06 0.00 3.11 3.04 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 0.00 106 T 8.12 3.85 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 0.00 107 A 8.03 3.95 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 0.00 108 L 7.51 3.87 0.00 1.61 1.74 0.96 0.83 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 0.00 109 V 7.69 4.11 2.13 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 1.08 0.00 0.00 0.41 0.00 0.00 110 E 8.60 4.00 0.00 2.18 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 2.33 2.46 0.00 111 K 8.08 3.74 0.00 1.83 1.92 0.00 1.48 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.47 7.81 112 A 8.23 3.74 1.15 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 0.00 0.00 113 K 8.69 3.87 0.00 2.07 1.92 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.55 7.81 114 A 8.00 4.23 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 0.00 115 A 7.79 4.19 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 0.00 116 L 7.08 4.47 0.00 1.89 1.78 0.94 1.03 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 0.00 117 A 7.53 4.28 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