NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2980 8.3149 119.9992 55.5152 34.7458 175.9597 2 P 4.1253 0.0000 0.0000 61.0374 31.7321 174.5313 3 Q 4.0770 8.8361 121.6129 55.8918 30.3628 174.9162 4 A 4.0701 8.0708 122.5070 49.5459 20.1718 175.2847 5 P 4.3813 0.0000 0.0000 62.7993 32.3744 175.6648 6 E 4.6190 8.2356 120.4634 54.6238 31.8110 175.0109 7 L 4.8129 8.4658 123.3409 53.4386 44.2427 176.7098 8 R 4.2769 8.5720 120.3014 54.1746 32.9284 174.3816 9 I 4.5340 7.8123 117.6391 60.5003 39.1422 175.6412 10 F 5.1317 9.1193 123.3420 55.5491 43.4324 172.8935 11 P 4.9277 0.0000 0.0000 62.6418 32.0496 175.7945 12 K 4.4725 8.4337 115.9193 55.5500 32.7269 176.0919 13 K 4.5469 7.3714 122.3121 57.1320 34.8854 174.1597 14 M 4.4277 8.2793 127.5682 54.8277 34.5994 173.0703 15 D 5.1322 8.8608 126.1929 52.6343 41.0966 175.9941 16 A 4.5441 7.7379 125.6883 50.3684 22.1595 175.1112 17 E 4.9321 8.7074 118.0145 53.9490 32.2359 176.1433 18 L 4.3647 8.4998 120.0681 56.7297 41.9594 177.7133 19 G 3.9242 9.0805 110.3966 46.4039 0.0000 173.3411 20 Q 4.3756 7.8750 120.6701 55.1077 30.7286 175.1231 21 K 4.7505 8.5209 124.2686 55.7855 33.7215 175.5194 22 V 4.2219 8.2125 125.6900 61.1232 33.7291 173.8899 23 D 4.9731 8.6602 127.7196 52.8300 42.4347 175.5217 24 L 4.8714 8.8094 124.9368 52.9069 44.0771 175.8627 25 V 5.1147 9.1555 124.2424 61.2298 34.8135 173.3777 26 C 5.3618 9.5077 127.3567 54.9460 45.1364 172.0740 27 E 5.1401 9.2125 129.2798 54.9870 30.5531 174.9102 28 V 4.4945 8.7296 128.0548 61.9203 32.7075 175.0386 29 L 4.7028 8.5139 126.5789 54.0447 44.8564 176.4739 30 G 4.0025 9.1614 109.0020 45.2160 0.0000 173.1230 31 S 4.6736 8.3024 109.9379 58.2140 63.1510 174.6648 32 V 4.1478 7.6288 112.1639 61.4695 31.2637 174.8892 33 S 4.6064 7.2642 114.0429 57.5017 65.4273 172.5757 34 Q 4.4272 8.5652 116.2698 56.3426 30.1436 173.6200 35 G 3.9772 8.6431 109.9725 45.3829 0.0000 172.4324 36 C 4.4346 8.0290 119.0034 57.2833 35.2167 172.8361 37 S 5.3210 8.5586 120.5695 56.5469 66.0335 172.9635 38 W 4.6355 8.5770 122.8953 54.8619 31.7190 174.8958 39 L 5.2043 9.1203 124.3784 53.0433 45.1213 175.3185 40 F 5.2998 8.9639 122.1727 57.0934 43.3486 172.7732 41 Q 4.4476 9.2238 128.1654 53.8345 30.5246 173.9047 42 N 4.0357 7.8181 125.5403 53.7232 40.0403 174.5427 43 S 4.9683 8.5519 121.7801 58.8792 61.5513 174.9588 44 S 4.5136 7.6361 109.1011 58.1649 65.5195 174.0188 45 S 4.2947 8.1345 116.1804 58.4692 63.6617 173.2628 46 K 3.9119 8.6916 119.7966 58.2525 31.8456 179.1302 47 L 4.1807 8.9170 122.7507 53.7012 42.8699 173.9235 48 P 4.0354 0.0000 0.0000 63.3358 30.0852 175.3977 49 Q 4.3627 8.0219 125.1212 53.3245 29.4523 173.2317 50 P 4.6562 0.0000 0.0000 62.7852 32.7251 175.9985 51 T 4.7358 8.3295 117.2623 61.8865 72.9195 173.2065 52 F 4.2286 9.0910 128.9839 58.5510 39.7567 173.8121 53 V 4.1547 7.9910 126.1329 63.5121 32.4656 175.0581 54 V 4.3125 6.3194 117.9185 60.0039 35.2130 172.1013 55 Y 5.2930 8.9027 123.2201 56.1723 42.0640 174.1063 56 M 4.7670 8.1546 125.2100 53.0909 35.3278 175.4635 57 A 4.1487 8.4864 126.8657 52.1546 19.2542 176.3218 58 S 4.8875 8.3091 112.6951 57.9776 63.3045 175.2380 59 S 4.6079 7.2597 114.8846 60.3374 68.8302 173.9806 60 H 4.6940 7.4405 118.1188 54.0483 29.8790 174.6435 61 N 4.6513 8.5738 116.0141 53.1252 38.3738 175.5094 62 K 4.2182 8.0407 120.9230 55.6444 31.5659 175.6840 63 I 4.6486 8.3177 121.1809 59.5100 39.1745 174.9974 64 T 4.6330 8.5429 118.1401 60.1782 70.5216 174.8668 65 W 5.2146 8.9790 126.8200 55.3443 31.9315 174.6291 66 D 5.0889 8.7818 119.8239 53.2889 41.6854 177.2124 67 E 4.2537 8.8658 124.9795 58.2387 30.0449 177.9484 68 K 4.1211 8.3629 119.8823 58.9767 32.4525 177.2157 69 L 4.7617 7.7807 114.5053 53.0599 43.9658 176.1248 70 N 4.5324 9.6934 116.1320 53.5735 37.0298 176.8102 71 S 3.7693 7.3676 113.0899 60.0158 63.1412 171.5796 72 S 3.7510 8.5468 113.6375 59.3552 60.3710 173.4768 73 K 3.9615 7.9431 122.3844 56.6026 29.2303 177.6275 74 L 3.7543 8.2828 119.7231 57.4831 41.4992 177.3158 75 F 5.0653 7.3319 113.9869 56.4000 41.7102 174.6806 76 S 4.9505 8.6504 111.1520 57.7211 65.8663 173.0515 77 A 5.3150 8.8480 126.7983 51.2257 22.3490 174.6983 78 M 4.6828 8.9518 115.4631 54.6243 35.0771 173.4947 79 R 4.7524 8.5509 116.3653 54.5150 31.2842 175.6029 80 D 4.9265 8.7643 125.4870 53.7110 42.6943 175.3311 81 T 4.1206 8.3701 112.0788 64.9928 66.5634 177.4254 82 N 4.5479 9.0244 128.3058 54.0971 36.8608 174.0778 83 N 3.9508 8.1221 120.1929 53.9141 36.6968 173.9745 84 K 4.8398 7.1892 116.5715 55.4985 33.6319 175.5875 85 Y 4.7729 9.0578 124.9377 56.5882 39.2858 175.5732 86 V 4.8866 8.8405 125.4294 61.7266 34.3787 175.0122 87 L 4.7671 8.9682 127.7694 53.8689 44.5166 174.6980 88 T 4.8065 8.6904 118.3160 60.3595 70.8708 174.2870 89 L 4.3899 9.0887 128.5692 53.0598 41.4104 177.1152 90 N 4.6713 8.1853 118.7703 51.2002 37.2196 176.1205 91 K 4.9630 7.3867 126.2196 56.8370 34.9478 173.4752 92 F 3.8529 8.5347 124.2254 58.5268 39.4308 174.2061 93 S 4.7791 7.5390 121.9664 55.4447 65.6571 175.1833 94 K 3.6701 8.2825 120.6519 59.4844 31.8673 178.3362 95 E 4.0228 7.4171 116.1367 58.8289 29.5577 177.7551 96 N 4.4182 7.5954 115.4326 54.6144 39.4621 175.5350 97 E 4.9654 6.6094 118.4787 55.6047 30.3407 176.8288 98 G 4.2881 8.2395 112.1015 46.5040 0.0000 169.5047 99 Y 5.0587 8.2557 119.0102 56.9198 39.4271 174.8938 100 Y 5.7691 8.9434 122.9379 56.8212 41.0076 174.9655 101 F 5.1078 9.1013 115.6115 56.7019 41.8219 170.1266 102 C 4.8605 8.5232 114.3778 53.5472 44.9685 172.6479 103 S 5.6286 8.2657 114.3803 56.0988 66.0230 172.7279 104 V 4.6803 7.6214 121.1502 61.8779 34.6508 172.7856 105 I 4.8569 8.2503 127.7670 60.5322 39.4030 175.8567 106 S 4.2116 9.4346 119.3918 58.4894 64.7341 173.7694 107 N 4.4118 9.7457 125.8867 54.8868 35.3752 175.4155 108 S 3.8201 7.8138 110.0666 58.9924 62.5289 172.3000 109 V 4.0744 7.4634 120.7035 61.8023 33.1239 174.3788 110 M 4.6281 8.0136 125.8136 54.0131 33.6770 175.0327 111 Y 4.6167 8.4690 120.1987 56.1046 41.8795 174.5879 112 F 5.6142 8.7467 121.0782 55.6974 42.9425 175.1705 113 S 4.7129 8.8786 117.3769 57.4127 64.7776 173.5945 114 S 4.4430 8.4222 114.1998 57.7564 63.7428 174.2514 115 V 4.2600 8.1535 116.8547 61.5445 32.4135 175.9937 116 V 4.4630 9.8379 126.8532 59.3653 32.9900 173.4625 117 P 4.6392 0.0000 0.0000 62.8521 32.7388 175.6520 118 V 5.2658 9.1569 123.6380 59.8115 32.2277 173.5233 119 L 5.3872 7.9770 124.7352 52.7422 44.0626 176.9903 120 Q 4.9718 8.9977 118.1955 56.1440 29.3161 175.5876 121 K 3.8531 7.8739 118.4212 57.6503 31.8551 177.3492 122 V 4.3416 8.0452 125.9242 61.6942 31.5923 172.9624 123 S 4.8051 7.7800 112.9255 56.2705 63.9543 172.0864 124 S 4.4315 8.8420 122.4298 57.2799 67.4942 175.5304 125 A 3.9914 8.2703 127.9044 52.4474 18.1565 177.1549 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 K 8.31 4.30 0.00 1.88 2.01 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.48 7.81 2 P 0.00 4.13 0.00 2.16 2.06 0.00 3.69 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 2.05 2.14 0.00 3 Q 8.84 4.08 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 4 A 8.07 4.07 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 5 P 0.00 4.38 0.00 1.73 1.83 0.00 2.43 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 6 E 8.24 4.62 0.00 1.88 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 2.16 2.22 0.00 7 L 8.47 4.81 0.00 1.47 1.53 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.57 4.28 0.00 1.87 1.36 0.00 3.34 0.00 0.00 3.57 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 9 I 7.81 4.53 1.95 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 1.59 0.28 0.96 0.00 0.00 10 F 9.12 5.13 0.00 3.00 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 11 P 0.00 4.93 0.00 2.41 2.13 0.00 3.56 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 12 K 8.43 4.47 0.00 1.92 1.97 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 13 K 7.37 4.55 0.00 1.85 1.76 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.19 1.23 7.81 14 M 8.28 4.43 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 15 D 8.86 5.13 0.00 2.55 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 16 A 7.74 4.54 0.58 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 0.00 0.00 17 E 8.71 4.93 0.00 2.02 1.86 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 2.21 2.19 0.00 18 L 8.50 4.36 0.00 1.67 1.65 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.08 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 0.00 0.00 0.00 20 Q 7.87 4.38 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 21 K 8.52 4.75 0.00 1.77 1.81 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.40 7.81 22 V 8.21 4.22 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 0.86 0.00 0.00 0.80 0.00 0.00 23 D 8.66 4.97 0.00 2.55 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 24 L 8.81 4.87 0.00 1.08 1.43 0.56 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 25 V 9.16 5.11 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 1.12 0.00 0.00 1.03 0.00 0.00 26 C 9.51 5.36 0.00 2.71 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 27 E 9.21 5.14 0.00 2.29 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 2.35 2.50 0.00 28 V 8.73 4.49 2.20 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 0.79 0.00 0.00 0.90 0.00 0.00 29 L 8.51 4.70 0.00 1.62 1.50 0.95 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 G 9.16 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 31 S 8.30 4.67 0.00 3.95 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 32 V 7.63 4.15 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 0.67 0.00 0.00 0.84 0.00 0.00 33 S 7.26 4.61 0.00 3.82 3.65 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 0.00 0.00 0.00 34 Q 8.57 4.43 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 35 G 8.64 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 0.00 0.00 0.00 36 C 8.03 4.43 0.00 1.23 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 37 S 8.56 5.32 0.00 3.92 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 38 W 8.58 4.64 0.00 3.18 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 39 L 9.12 5.20 0.00 0.38 1.15 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.96 5.30 0.00 2.63 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 41 Q 9.22 4.45 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.69 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 42 N 7.82 4.04 0.00 2.55 2.59 0.00 0.00 6.77 7.61 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 43 S 8.55 4.97 0.00 4.09 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 44 S 7.64 4.51 0.00 4.04 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 45 S 8.13 4.29 0.00 3.74 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 46 K 8.69 3.91 0.00 1.76 1.33 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.58 7.81 47 L 8.92 4.18 0.00 1.61 1.56 0.90 0.95 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 48 P 0.00 4.04 0.00 2.06 2.00 0.00 3.64 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.87 0.00 49 Q 8.02 4.36 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.07 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 50 P 0.00 4.66 0.00 2.03 2.14 0.00 3.67 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 2.03 2.12 0.00 51 T 8.33 4.74 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 1.31 0.00 0.00 52 F 9.09 4.23 0.00 3.04 3.02 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 53 V 7.99 4.15 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 0.69 0.00 0.00 0.73 0.00 0.00 54 V 6.32 4.31 0.67 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 0.16 0.00 0.00 -0.52 0.00 0.00 55 Y 8.90 5.29 0.00 3.42 3.01 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 0.00 0.00 0.00 56 M 8.15 4.77 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 57 A 8.49 4.15 1.17 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 0.00 0.00 58 S 8.31 4.89 0.00 4.07 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 59 S 7.26 4.61 0.00 3.94 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 60 H 7.44 4.69 0.00 3.30 3.38 0.00 5.52 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.57 4.65 0.00 2.76 2.92 0.00 0.00 6.87 7.61 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 62 K 8.04 4.22 0.00 1.70 1.79 0.00 1.85 0.00 0.00 1.85 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.37 7.81 63 I 8.32 4.65 1.73 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 1.62 1.32 0.94 0.00 0.00 64 T 8.54 4.63 4.38 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 1.38 0.00 0.00 65 W 8.98 5.21 0.00 3.29 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.78 5.09 0.00 3.26 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 67 E 8.87 4.25 0.00 2.07 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 2.39 2.39 0.00 68 K 8.36 4.12 0.00 1.83 2.16 0.00 1.84 0.00 0.00 1.80 0.00 0.00 3.31 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.50 7.81 69 L 7.78 4.76 0.00 1.83 1.70 1.09 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 70 N 9.69 4.53 0.00 2.94 3.09 0.00 0.00 6.53 7.19 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 71 S 7.37 3.77 0.00 2.72 3.27 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 72 S 8.55 3.75 0.00 3.94 4.10 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 73 K 7.94 3.96 0.00 1.83 1.92 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.35 7.81 74 L 8.28 3.75 0.00 0.88 1.12 0.90 0.86 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 75 F 7.33 5.07 0.00 2.94 3.14 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 76 S 8.65 4.95 0.00 3.94 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 0.00 77 A 8.85 5.31 1.11 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 78 M 8.95 4.68 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 79 R 8.55 4.75 0.00 1.28 1.84 0.00 2.68 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.37 0.00 80 D 8.76 4.93 0.00 2.66 2.46 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 81 T 8.37 4.12 4.21 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 1.18 0.00 0.00 82 N 9.02 4.55 0.00 2.75 2.76 0.00 0.00 6.83 6.92 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 83 N 8.12 3.95 0.00 3.11 3.07 0.00 0.00 6.93 8.24 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 84 K 7.19 4.84 0.00 1.64 1.80 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.52 7.81 85 Y 9.06 4.77 0.00 3.01 3.01 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 0.00 0.00 0.00 86 V 8.84 4.89 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 1.07 0.00 0.00 0.98 0.00 0.00 87 L 8.97 4.77 0.00 0.55 0.20 0.71 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.69 4.81 4.21 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 1.24 0.00 0.00 89 L 9.09 4.39 0.00 1.55 1.63 0.64 0.77 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 90 N 8.19 4.67 0.00 2.67 2.88 0.00 0.00 6.74 7.01 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 91 K 7.39 4.96 0.00 1.70 1.69 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.09 1.08 7.81 92 F 8.53 3.85 0.00 3.10 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 93 S 7.54 4.78 0.00 3.87 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 0.00 94 K 8.28 3.67 0.00 1.78 1.77 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.51 7.81 95 E 7.42 4.02 0.00 1.92 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 2.32 0.00 96 N 7.60 4.42 0.00 2.24 2.81 0.00 0.00 6.87 7.19 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 97 E 6.61 4.97 0.00 1.97 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 2.46 2.69 0.00 98 G 8.24 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 0.00 0.00 0.00 0.00 99 Y 8.26 5.06 0.00 2.99 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 0.00 100 Y 8.94 5.77 0.00 3.26 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 0.00 101 F 9.10 5.11 0.00 3.13 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 0.00 102 C 8.52 4.86 0.00 2.37 1.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 5.63 0.00 3.98 3.65 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 0.00 0.00 0.00 104 V 7.62 4.68 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 0.91 0.00 0.00 0.80 0.00 0.00 105 I 8.25 4.86 1.86 0.00 0.00 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 1.19 0.92 0.95 0.00 0.00 106 S 9.43 4.21 0.00 3.82 4.09 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 0.00 107 N 9.75 4.41 0.00 2.86 2.80 0.00 0.00 7.21 7.57 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 0.00 108 S 7.81 3.82 0.00 4.01 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 0.00 109 V 7.46 4.07 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 0.34 0.00 0.00 0.94 0.00 0.00 110 M 8.01 4.63 0.00 1.43 1.78 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 111 Y 8.47 4.62 0.00 2.74 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 0.00 112 F 8.75 5.61 0.00 2.98 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 0.00 113 S 8.88 4.71 0.00 3.86 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 0.00 114 S 8.42 4.44 0.00 4.02 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 0.00 115 V 8.15 4.26 2.15 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 0.21 0.00 0.00 1.08 0.00 0.00 116 V 9.84 4.46 2.26 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 1.24 0.00 0.00 1.12 0.00 0.00 117 P 0.00 4.64 0.00 2.11 2.17 0.00 3.73 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 118 V 9.16 5.27 2.51 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 1.43 0.00 0.00 0.98 0.00 0.00 119 L 7.98 5.39 0.00 1.62 1.72 0.77 0.78 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 0.00 120 Q 9.00 4.97 0.00 2.51 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.65 2.39 0.00 121 K 7.87 3.85 0.00 1.78 1.89 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.51 7.81 122 V 8.05 4.34 2.10 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 0.68 0.00 0.00 0.97 0.00 0.00 123 S 7.78 4.81 0.00 3.86 3.73 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 0.00 124 S 8.84 4.43 0.00 3.96 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 0.00 125 A 8.27 3.99 1.37 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 0.00 0.00