NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0050 8.3393 109.7397 45.5381 0.0000 173.0972 2 S 4.3832 8.6040 117.2621 57.7309 65.5990 172.0905 3 S 3.6672 8.6799 115.8585 59.8782 61.3001 173.3592 4 G 4.1958 7.7281 106.2976 43.0556 0.0000 173.8180 5 S 4.1436 8.2981 114.3028 57.5153 63.5594 173.9514 6 S 3.9521 8.7769 117.8793 59.0811 62.0659 173.5371 7 G 4.1599 8.2271 117.3380 42.7123 0.0000 170.0428 8 P 4.4688 0.0000 0.0000 62.3418 32.2962 176.4717 9 S 4.4298 8.2942 115.9828 59.3422 62.9342 172.7580 10 T 4.7672 8.0872 112.8409 60.4012 70.3253 173.9743 11 V 3.8561 8.5116 127.3146 62.2466 32.3040 175.2433 12 P 4.2883 0.0000 0.0000 65.3935 31.5954 175.9164 13 I 4.8711 7.3755 115.6113 59.2646 41.1698 172.9982 14 M 4.9545 8.4800 122.8180 53.8393 34.6261 174.9666 15 H 5.0984 9.5317 119.8972 54.1207 31.8476 172.9725 16 Q 4.5150 8.8411 123.9278 55.1802 29.9916 174.8033 17 V 4.3179 8.0863 124.0214 64.4211 33.9505 174.7867 18 S 4.6253 7.1592 112.2458 58.5442 66.6028 173.9262 19 A 4.4782 8.0604 118.9486 52.1032 20.9500 175.8371 20 T 4.6394 7.8362 111.7879 60.0182 71.3623 174.9935 21 M 4.1625 8.4727 119.5212 57.4297 32.3700 177.5335 22 R 4.7507 7.6517 114.6308 54.8844 31.5424 174.4337 23 S 4.9799 7.6818 113.6771 58.4115 68.4091 173.1034 24 I 4.7340 8.4763 120.1108 60.6670 41.7429 174.4321 25 T 4.8093 8.6931 123.3283 61.9934 70.5577 173.7391 26 L 5.0067 8.3292 124.1983 53.4951 47.0774 175.0980 27 S 4.8805 9.1423 113.2706 57.3103 66.3384 173.6364 28 W 5.6439 7.6351 118.1671 54.1197 31.0799 173.1712 29 P 4.3704 0.0000 0.0000 62.5581 31.6406 175.6535 30 Q 4.2842 8.3513 121.6862 54.8752 29.7191 174.1191 31 P 4.6258 0.0000 0.0000 62.8161 32.1238 175.6471 32 E 4.5292 8.6362 115.3857 56.4112 31.6919 176.1125 33 Q 4.7189 7.6518 118.7861 54.5416 28.8819 174.5070 34 P 4.4828 0.0000 0.0000 63.1321 31.9840 176.2774 35 N 4.1789 8.6892 115.0846 52.6812 36.8658 174.0289 36 G 3.6612 7.4879 105.1650 45.0242 0.0000 173.4718 37 I 4.1721 8.0042 124.3459 59.4567 38.3641 174.9535 38 I 4.0475 8.1736 126.9184 60.9122 36.0621 175.8543 39 L 4.1926 7.7927 126.2135 56.9671 40.9836 177.3527 40 D 4.7580 7.5251 115.6741 52.4414 43.6954 172.6504 41 Y 4.8379 8.8866 117.2539 56.5439 39.8069 174.9125 42 E 4.9061 8.4802 125.5492 55.3527 31.8825 174.9458 43 I 5.3222 8.8111 125.0064 59.6219 42.1397 174.2882 44 R 5.1555 8.9525 125.0278 54.7355 33.1353 173.5504 45 Y 5.7252 8.6444 123.9444 54.5123 41.5562 173.9217 46 Y 5.2663 7.8226 117.7752 55.6585 41.9638 173.4683 47 E 4.0942 9.1477 120.5801 56.4304 29.8786 177.9695 48 K 4.1376 8.0590 126.1501 59.6977 32.5016 177.3704 49 E 4.1560 8.1381 116.9650 59.0434 29.7828 176.5829 50 H 4.4844 8.5503 115.3917 55.4608 29.4504 173.2239 51 N 4.6533 8.0033 117.1302 51.1197 41.4645 175.8219 52 E 3.5566 8.4982 117.6737 60.2349 29.5540 178.9351 53 F 4.0163 7.7731 115.6007 60.6565 39.3512 176.7593 54 N 4.7987 7.4733 118.5641 51.8462 36.7966 173.7122 55 S 4.8941 7.5187 113.6400 56.5382 67.5720 174.5530 56 S 4.6636 8.1946 115.8415 56.8877 65.0959 173.3120 57 M 5.3231 8.4531 122.7889 53.6702 34.5959 175.3442 58 A 4.8019 9.4331 124.5716 50.9146 23.1708 175.8725 59 R 5.2742 8.7379 119.1044 55.0673 32.7555 174.5249 60 S 4.6978 9.3056 113.2231 57.0417 66.6356 173.6078 61 Q 4.4749 8.5227 118.8946 55.5929 28.6091 175.1009 62 T 4.4878 7.6435 112.4417 61.7014 70.8991 173.2394 63 N 3.3944 8.0968 117.7815 52.8229 38.2613 174.3344 64 T 4.2930 6.7970 111.7429 60.0352 69.8960 172.9360 65 A 4.8273 8.5115 128.8353 50.5841 23.3320 174.4342 66 R 4.8509 8.4828 119.0206 54.5411 33.3265 174.7723 67 I 4.1692 8.6338 127.2067 59.9757 38.5890 174.2867 68 D 5.0280 8.5704 126.7873 51.9505 41.6153 176.7837 69 G 4.1406 8.6704 109.9558 46.4634 0.0000 172.3244 70 L 4.7958 7.3972 116.6834 52.6529 46.6839 177.3174 71 R 4.7170 9.1557 119.9004 54.3235 31.7219 175.0344 72 P 4.3154 0.0000 0.0000 63.0329 32.0353 176.3468 73 G 3.8313 8.9737 112.4210 46.4821 0.0000 173.3108 74 M 4.7542 7.4805 116.8449 53.5827 36.6151 174.4871 75 V 4.2508 8.1748 125.3289 62.7373 33.6808 174.1310 76 Y 4.8172 8.7366 124.2292 56.1878 42.0004 174.8374 77 V 3.8244 8.1428 124.7055 61.9239 30.7753 174.7189 78 V 4.8462 8.2148 127.9381 61.6436 34.0221 174.3547 79 Q 4.8580 8.5740 123.3687 54.3206 33.6393 173.9330 80 V 4.7352 8.2066 120.5772 59.8254 34.2246 174.7229 81 R 5.0655 8.9804 118.9052 54.3196 33.6033 173.7043 82 A 4.6974 7.8923 118.3819 50.2119 21.4084 175.4493 83 R 4.7895 7.9069 122.3687 54.8220 32.6979 175.0496 84 T 4.9716 8.4854 115.1065 59.6298 72.2976 175.0597 85 V 3.5044 7.7852 115.8701 64.6387 31.9451 178.3649 86 A 4.0178 7.8245 121.0238 53.4839 18.4971 177.2959 87 G 3.9116 7.0807 101.6057 45.9436 0.0000 171.3835 88 Y 4.3538 8.6917 116.5642 57.4915 38.9168 175.6589 89 G 4.1313 8.3165 109.3466 44.0902 0.0000 173.2395 90 K 4.3408 8.3188 118.9925 56.2240 33.4363 176.6860 91 F 4.9661 8.5314 120.4003 56.9421 40.2013 175.9538 92 S 4.8771 8.3885 117.1729 56.7539 64.4190 173.8650 93 G 3.9019 7.8802 107.3939 46.8309 0.0000 173.8210 94 K 4.5335 8.6367 123.8586 56.3837 32.5639 175.9999 95 M 4.6280 8.2621 120.5426 53.8671 36.5079 173.5028 96 C 4.6483 7.9817 119.8228 57.9266 31.0068 173.3503 97 F 5.0794 8.6214 123.4939 55.6500 40.9955 175.1106 98 Q 5.7635 9.1045 121.8063 54.1953 31.0468 175.3306 99 T 4.4853 8.3748 111.1043 60.5093 70.8910 174.0060 100 L 4.3443 8.0873 121.6762 54.9861 42.3442 177.2642 101 T 4.5187 8.4201 112.3664 60.1735 70.4754 174.2433 102 D 4.8762 8.5444 128.0897 54.5201 41.7395 176.7066 103 S 4.5058 8.0720 114.7958 60.8456 64.9833 174.7161 104 G 4.0385 8.1366 109.5747 45.0914 0.0000 169.4168 105 P 4.3422 0.0000 0.0000 62.8817 31.7916 177.4831 106 S 4.2985 8.8748 120.1332 61.0206 62.9757 174.9823 107 S 4.7110 7.4641 113.2094 56.7960 66.7425 174.3598 108 G 3.7801 8.4555 110.5358 46.6372 0.0000 173.3274 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 G 8.34 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 2 S 8.60 4.38 0.00 4.02 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 3 S 8.68 3.67 0.00 3.97 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 4 G 7.73 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 0.00 0.00 0.00 0.00 5 S 8.30 4.14 0.00 3.99 3.88 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 6 S 8.78 3.95 0.00 3.85 3.86 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 7 G 8.23 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 0.00 0.00 0.00 0.00 8 P 0.00 4.47 0.00 2.05 2.17 0.00 3.92 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 2.03 1.88 0.00 9 S 8.29 4.43 0.00 4.03 3.88 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 10 T 8.09 4.77 4.26 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 0.00 0.00 1.25 0.00 0.00 11 V 8.51 3.86 2.14 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 1.12 0.00 0.00 1.22 0.00 0.00 12 P 0.00 4.29 0.00 2.29 2.32 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 13 I 7.38 4.87 1.88 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 1.34 0.85 0.88 0.00 0.00 14 M 8.48 4.95 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 15 H 9.53 5.10 0.00 3.03 3.18 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.84 4.51 0.00 1.76 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 17 V 8.09 4.32 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 0.93 0.00 0.00 0.87 0.00 0.00 18 S 7.16 4.63 0.00 3.98 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 19 A 8.06 4.48 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 20 T 7.84 4.64 4.22 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 1.18 0.00 0.00 21 M 8.47 4.16 0.00 2.04 2.16 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 2.60 2.76 0.00 22 R 7.65 4.75 0.00 1.80 1.85 0.00 3.43 0.00 0.00 3.29 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 23 S 7.68 4.98 0.00 3.70 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 24 I 8.48 4.73 1.74 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 1.21 0.34 0.82 0.00 0.00 25 T 8.69 4.81 4.29 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 1.14 0.00 0.00 26 L 8.33 5.01 0.00 1.56 1.32 0.67 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.14 4.88 0.00 3.59 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 28 W 7.64 5.64 0.00 3.27 3.12 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 29 P 0.00 4.37 0.00 2.26 2.14 0.00 4.05 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 30 Q 8.35 4.28 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.15 0.00 0.00 0.00 0.00 0.00 2.47 2.67 0.00 31 P 0.00 4.63 0.00 2.29 2.15 0.00 4.04 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 32 E 8.64 4.53 0.00 2.09 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 0.00 2.21 2.31 0.00 33 Q 7.65 4.72 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 34 P 0.00 4.48 0.00 2.29 2.18 0.00 4.04 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 35 N 8.69 4.18 0.00 2.82 2.89 0.00 0.00 7.19 7.59 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 36 G 7.49 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 37 I 8.00 4.17 1.83 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 1.40 0.88 0.88 0.00 0.00 38 I 8.17 4.05 1.76 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.41 0.28 0.00 0.00 39 L 7.79 4.19 0.00 1.43 1.60 0.78 0.72 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 40 D 7.53 4.76 0.00 2.88 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.89 4.84 0.00 3.43 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 42 E 8.48 4.91 0.00 2.30 1.89 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 2.43 2.42 0.00 43 I 8.81 5.32 2.18 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 1.00 0.18 1.08 0.00 0.00 44 R 8.95 5.16 0.00 1.90 1.32 0.00 2.84 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 45 Y 8.64 5.73 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 46 Y 7.82 5.27 0.00 3.04 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 47 E 9.15 4.09 0.00 1.92 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 2.34 2.42 0.00 48 K 8.06 4.14 0.00 1.77 1.84 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.48 7.81 49 E 8.14 4.16 0.00 2.07 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 2.31 2.32 0.00 50 H 8.55 4.48 0.00 3.27 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.00 4.65 0.00 2.75 2.68 0.00 0.00 6.81 7.62 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 52 E 8.50 3.56 0.00 1.60 1.77 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 2.18 2.27 0.00 53 F 7.77 4.02 0.00 2.99 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 54 N 7.47 4.80 0.00 2.75 2.88 0.00 0.00 6.97 7.47 0.00 0.00 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 7.52 4.89 0.00 4.04 3.88 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 56 S 8.19 4.66 0.00 2.72 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 57 M 8.45 5.32 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 58 A 9.43 4.80 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.74 5.27 0.00 2.01 2.05 0.00 3.25 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 60 S 9.31 4.70 0.00 3.99 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 61 Q 8.52 4.47 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.49 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 62 T 7.64 4.49 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 1.24 0.00 0.00 63 N 8.10 3.39 0.00 2.26 1.83 0.00 0.00 5.70 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 64 T 6.80 4.29 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 1.00 0.00 0.00 65 A 8.51 4.83 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 66 R 8.48 4.85 0.00 1.73 1.72 0.00 3.17 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.61 0.00 67 I 8.63 4.17 1.41 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 1.09 0.50 -0.56 0.00 0.00 68 D 8.57 5.03 0.00 2.59 2.55 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 69 G 8.67 4.14 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 0.00 70 L 7.40 4.80 0.00 1.28 0.70 0.40 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 71 R 9.16 4.72 0.00 1.81 1.93 0.00 3.38 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 72 P 0.00 4.32 0.00 2.10 2.08 0.00 3.93 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 73 G 8.97 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 0.00 0.00 0.00 74 M 7.48 4.75 0.00 2.38 1.85 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.28 0.00 75 V 8.17 4.25 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 0.94 0.00 0.00 0.89 0.00 0.00 76 Y 8.74 4.82 0.00 3.12 2.83 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 77 V 8.14 3.82 0.91 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 1.04 0.00 0.00 0.81 0.00 0.00 78 V 8.21 4.85 2.43 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 0.94 0.00 0.00 1.12 0.00 0.00 79 Q 8.57 4.86 0.00 1.31 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.66 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 80 V 8.21 4.74 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 0.00 0.00 0.17 0.00 0.00 -0.65 0.00 0.00 81 R 8.98 5.07 0.00 1.56 0.80 0.00 2.85 0.00 0.00 2.96 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 82 A 7.89 4.70 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 83 R 7.91 4.79 0.00 1.55 1.64 0.00 2.21 0.00 0.00 2.63 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 84 T 8.49 4.97 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 1.12 0.00 0.00 85 V 7.79 3.50 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 0.70 0.00 0.00 0.89 0.00 0.00 86 A 7.82 4.02 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 0.00 0.00 0.00 0.00 0.00 87 G 7.08 3.91 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 0.00 0.00 0.00 88 Y 8.69 4.35 0.00 2.76 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 89 G 8.32 4.13 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 0.00 0.00 0.00 90 K 8.32 4.34 0.00 1.73 1.77 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.46 7.81 91 F 8.53 4.97 0.00 2.97 2.88 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 92 S 8.39 4.88 0.00 4.02 3.98 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 0.00 0.00 0.00 93 G 7.88 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 94 K 8.64 4.53 0.00 1.62 1.71 0.00 1.74 0.00 0.00 0.61 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.26 7.81 95 M 8.26 4.63 0.00 1.50 1.74 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.21 0.00 96 C 7.98 4.65 0.00 2.66 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 97 F 8.62 5.08 0.00 3.03 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 98 Q 9.10 5.76 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 99 T 8.37 4.49 4.45 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 1.32 0.00 0.00 100 L 8.09 4.34 0.00 1.55 1.66 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.42 4.52 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 1.26 0.00 0.00 102 D 8.54 4.88 0.00 2.64 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 0.00 103 S 8.07 4.51 0.00 3.88 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 0.00 104 G 8.14 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 0.00 0.00 0.00 105 P 0.00 4.34 0.00 2.20 2.11 0.00 3.79 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 1.99 1.99 0.00 106 S 8.87 4.30 0.00 3.88 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 0.00 107 S 7.46 4.71 0.00 3.79 3.70 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 0.00 108 G 8.46 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