NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9663 8.3544 109.7362 45.6528 0.0000 172.9348 2 S 4.3977 8.1550 114.7826 54.6678 65.4541 172.1422 3 S 4.6639 8.6278 121.4277 57.4342 65.4306 172.6222 4 G 4.1524 8.0341 108.6629 44.3312 0.0000 172.2196 5 S 4.5295 8.3476 113.1750 56.3576 64.3823 173.1557 6 S 4.5620 8.3405 121.1444 56.4429 65.1983 172.4099 7 G 4.3627 7.6423 114.4325 43.8817 0.0000 172.3470 8 K 4.4787 7.8392 119.6907 55.1327 35.3932 175.6734 9 A 4.5535 8.3133 124.2597 50.9204 20.9185 174.8981 10 E 4.7863 8.2657 117.5357 54.7355 33.4903 175.2014 11 A 4.6636 8.2799 121.1946 50.6881 21.8665 176.0391 12 E 4.5104 8.6729 120.4527 54.2054 29.5174 174.3007 13 Q 4.2984 8.1428 123.4426 54.4911 31.5570 175.3819 14 N 4.6663 8.8580 121.8551 52.4915 36.1209 174.4618 15 W 4.6410 8.7191 132.3780 56.8794 31.8935 175.1694 16 W 4.4028 8.0504 127.2745 56.7035 31.5605 174.8969 17 E 4.1748 7.7493 117.1904 56.7474 29.0104 176.9453 18 G 4.0307 8.0155 107.0280 45.4122 0.0000 172.0639 19 P 4.5358 0.0000 0.0000 61.1424 32.3070 174.3898 20 P 4.5460 0.0000 0.0000 61.9338 32.4483 175.0756 21 Q 3.6997 8.4230 114.4933 56.9648 28.7022 177.6038 22 D 4.5145 8.4374 122.1751 52.6130 39.7228 176.5960 23 L 3.7471 8.0014 125.0800 56.9168 41.9616 180.0411 24 S 4.0868 7.4330 112.2206 61.1079 62.9204 175.9859 25 V 3.5256 7.6087 113.9587 64.0633 31.4128 176.4157 26 H 4.1626 7.0258 116.0193 55.1701 28.8787 175.3457 27 L 3.9638 7.6545 120.9339 56.8582 42.2035 178.1923 28 W 4.7511 7.0210 114.5036 56.8247 29.4304 175.4135 29 Y 5.1334 7.7750 122.6903 56.1223 38.6347 175.0905 30 A 4.7034 8.9514 132.2387 53.4999 19.4867 178.4279 31 G 3.4100 7.7582 108.9638 47.3979 0.0000 173.2977 32 P 4.4871 0.0000 0.0000 62.6674 29.4911 174.4188 33 M 4.5932 7.8031 124.6837 53.8943 34.6632 175.4036 34 E 4.1700 8.4031 124.3995 55.7282 30.6363 177.1858 35 R 3.7512 8.7143 121.4826 60.1929 29.8724 178.4137 36 A 3.9973 7.9002 119.4435 55.4407 18.5316 179.0632 37 G 3.7253 7.9091 103.2684 48.4939 0.0000 175.2204 38 A 3.9393 7.9515 122.8291 54.7162 17.9671 179.3742 39 E 4.0087 8.5247 117.0186 58.7965 29.3551 178.6227 40 S 4.2056 8.1133 111.9094 59.3321 62.8089 175.9377 41 I 3.9781 8.0038 122.3864 64.5089 37.6524 177.8058 42 L 4.2444 7.8952 118.1187 56.0570 41.3285 178.9034 43 A 4.1210 7.2021 121.9936 55.3178 18.3916 178.5747 44 N 4.5171 8.0678 110.7460 55.3857 39.1696 175.7032 45 R 4.0609 7.0765 115.0502 56.5367 30.8354 175.3566 46 S 4.7419 8.4105 114.0655 56.7609 64.2809 173.6302 47 D 4.6762 8.5809 122.9063 54.8399 39.0194 176.7152 48 G 4.0851 9.1711 111.3630 46.4365 0.0000 172.9065 49 T 4.6722 8.2904 116.7036 64.1023 69.0477 173.7858 50 F 5.3897 9.8036 123.3510 55.7724 40.8396 175.0502 51 L 5.0124 9.2993 120.1910 54.8082 44.1224 174.2545 52 V 4.9776 9.4869 124.3363 61.4723 33.4574 174.7686 53 R 4.9723 9.1357 123.5665 54.6662 33.7992 173.5524 54 Q 4.5745 8.5374 120.8262 53.9751 32.1174 175.5859 55 R 4.3932 7.7578 120.2422 57.3226 28.7704 177.2480 56 V 3.2414 7.4599 117.6155 62.7839 30.5079 172.7078 57 K 4.5014 7.1801 116.5522 55.2170 36.1607 175.6772 58 D 4.3328 8.6987 121.1256 55.9433 41.2158 176.6173 59 A 4.5408 8.9253 125.6456 52.0169 16.3430 176.3775 60 A 4.2408 7.5310 123.2953 52.2821 20.0557 177.0857 61 E 4.1812 8.5493 117.6894 57.0991 29.5313 177.8463 62 F 4.5377 9.2310 123.4005 57.8176 40.7106 174.4099 63 A 5.2080 9.1680 121.9677 50.8256 23.1423 175.1075 64 I 4.8277 9.0439 123.4763 59.7454 39.5292 174.7823 65 S 5.7049 9.7588 122.0151 55.5343 65.7026 172.7434 66 I 5.6332 8.0187 118.4288 58.0194 42.0483 173.7285 67 K 4.4915 8.5981 123.6440 55.8540 33.0391 174.5854 68 Y 4.7058 8.7591 128.3844 56.4830 42.8336 174.1245 69 N 4.0266 8.8994 121.4656 54.6081 37.6043 174.3050 70 V 3.4628 8.1529 104.7214 61.3654 29.3769 171.8356 71 E 4.6540 8.5501 117.2886 54.7098 33.1260 174.8461 72 V 4.3985 8.4900 123.1380 62.5637 31.2037 175.4757 73 K 4.3567 8.5929 127.2674 56.0897 33.6999 175.7772 74 H 5.3997 8.3941 117.7545 54.2272 32.9315 173.0059 75 I 4.4466 8.7668 121.5459 59.2084 40.9922 174.8480 76 K 4.5158 8.8518 127.6932 56.3970 33.7208 175.3502 77 I 4.7508 8.5411 127.6693 60.0283 39.0557 174.9755 78 M 4.6917 9.0250 128.0652 54.2758 33.8903 175.3877 79 T 4.9651 8.4502 112.3774 59.8070 71.5220 173.5424 80 A 4.3929 8.4650 127.6465 51.7528 21.9388 175.9239 81 E 3.6037 9.8257 121.6502 57.3161 26.8941 175.8579 82 G 3.9387 8.3658 108.1869 45.0719 0.0000 174.4409 83 L 4.6890 7.5150 119.6824 54.5518 43.7688 175.3191 84 Y 5.2274 8.5384 119.0023 56.3048 40.8149 175.2466 85 R 4.8247 9.2756 119.2005 55.3870 32.6462 176.3174 86 I 4.2133 8.9799 116.2558 62.5846 38.2492 175.7636 87 T 4.7129 7.6273 113.8866 59.9161 70.5528 172.9699 88 E 4.3762 8.5943 123.5702 56.7269 29.6326 177.3694 89 K 4.3400 7.9191 118.8545 58.5353 34.2271 177.6002 90 K 4.0941 7.6533 117.0319 55.0992 34.9015 174.4037 91 A 4.7839 7.9663 128.6364 50.5431 21.5313 175.2918 92 F 4.8680 8.1992 116.4258 55.2780 43.2145 176.6198 93 R 3.9522 8.9609 121.2898 59.4114 29.9335 177.3734 94 G 4.0746 8.8165 102.0469 42.4380 0.0000 173.0644 95 L 3.6566 7.9868 118.9477 58.6158 41.4067 180.0873 96 T 3.9569 7.9088 114.4187 66.9062 68.5991 175.9501 97 E 3.8399 8.0467 119.7304 59.2429 29.8034 178.4374 98 L 2.0000 7.7140 120.4658 57.8238 41.9801 179.1793 99 V 3.3015 7.7594 117.7553 66.1548 31.1806 177.6517 100 E 4.5676 7.4518 117.9594 58.7145 29.5270 179.2278 101 F 4.1007 7.7208 120.3785 61.5813 39.6403 177.0240 102 Y 4.4893 7.4315 117.2663 60.3235 37.5909 178.2989 103 Q 3.9649 8.1012 118.8360 57.8902 28.5108 177.8862 104 Q 4.4145 7.8029 116.7812 55.2358 30.9731 175.3517 105 N 4.9026 7.4773 115.4005 50.7079 40.9854 174.2627 106 S 4.3955 8.4351 116.9703 58.4809 63.2688 174.7008 107 L 3.9972 8.4880 124.3439 55.6270 41.5273 179.2446 108 K 4.1928 8.1135 118.5631 60.1019 32.3720 178.1731 109 D 4.3956 8.2566 118.0870 57.1843 40.8593 177.1817 110 C 4.1779 8.3914 117.3702 60.2918 32.4153 173.4369 111 F 4.7447 7.5162 117.7894 54.0480 39.1193 174.8513 112 K 3.9219 8.4899 123.6750 59.9385 32.6863 179.0139 113 S 4.1096 8.2030 113.0055 60.6725 62.4319 173.5033 114 L 4.1282 8.2667 124.5018 53.6385 40.7785 175.9419 115 D 4.6943 7.7084 127.1237 50.9244 37.9484 174.4133 116 T 4.8044 7.1345 120.1179 61.3770 72.1014 171.7820 117 T 4.7092 8.1002 110.7403 59.7293 71.8014 173.7782 118 L 3.4355 8.2981 123.5659 55.5782 40.0684 176.8357 119 Q 3.8509 7.7550 123.3500 56.7458 28.8752 175.4300 120 F 5.5470 8.4236 116.1853 55.2515 44.4532 172.2916 121 P 4.7366 0.0000 0.0000 62.0354 32.2188 177.1222 122 F 4.3198 8.8351 115.8157 59.9490 37.9697 177.2065 123 K 3.4224 6.7145 117.4702 58.1563 32.0641 176.6963 124 E 3.6270 7.1363 118.0311 55.0208 29.7661 175.1431 125 P 4.3576 0.0000 0.0000 62.1733 32.2139 175.2520 126 E 3.8471 8.1818 120.9203 55.8348 30.9633 177.2086 127 K 4.5432 8.2304 121.1863 55.2805 32.0880 176.6773 128 R 4.3662 7.5887 120.7641 54.7081 30.4344 172.3636 129 T 4.4996 7.7428 114.4099 59.6982 69.8746 173.4251 130 I 3.8042 8.5239 130.4434 63.9327 37.3505 176.0850 131 S 4.6546 7.6204 111.8402 56.2168 65.0884 173.5677 132 R 4.2941 8.4150 125.8394 55.6340 30.9151 176.0611 133 S 4.6322 8.1355 114.1410 57.4814 64.8932 174.3309 134 G 4.4118 7.7216 109.2019 45.0863 0.0000 170.8386 135 P 4.3516 0.0000 0.0000 62.6168 31.2122 177.3898 136 S 4.3444 8.3407 119.1746 57.9465 63.9595 174.8111 137 S 4.0737 8.8097 118.8931 61.1953 63.2715 174.3700 138 G 4.1488 8.0514 113.5016 45.3133 0.0000 173.0607 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 8.35 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 2 S 8.16 4.40 0.00 3.86 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 3 S 8.63 4.66 0.00 4.01 3.84 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 4 G 8.03 4.15 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 0.00 5 S 8.35 4.53 0.00 3.78 3.72 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 0.00 0.00 0.00 0.00 6 S 8.34 4.56 0.00 3.81 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 7 G 7.64 4.36 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 0.00 8 K 7.84 4.48 0.00 1.79 1.73 0.00 1.45 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.49 7.81 9 A 8.31 4.55 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 10 E 8.27 4.79 0.00 1.91 1.84 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 2.19 2.26 0.00 11 A 8.28 4.66 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 12 E 8.67 4.51 0.00 2.06 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 2.30 0.00 13 Q 8.14 4.30 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.28 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 14 N 8.86 4.67 0.00 2.89 2.95 0.00 0.00 6.08 8.92 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 15 W 8.72 4.64 0.00 3.44 3.20 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 16 W 8.05 4.40 0.00 3.44 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 17 E 7.75 4.17 0.00 1.99 1.69 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 1.96 2.35 0.00 18 G 8.02 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 0.00 0.00 0.00 19 P 0.00 4.54 0.00 2.23 2.14 0.00 3.83 0.00 0.00 3.79 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 20 P 0.00 4.55 0.00 2.23 2.17 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 21 Q 8.42 3.70 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 7.35 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 22 D 8.44 4.51 0.00 2.70 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 23 L 8.00 3.75 0.00 0.48 0.82 0.85 0.84 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 24 S 7.43 4.09 0.00 3.99 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 25 V 7.61 3.53 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 0.60 0.00 0.00 0.63 0.00 0.00 26 H 7.03 4.16 0.00 1.92 1.31 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.65 3.96 0.00 1.54 1.45 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 28 W 7.02 4.75 0.00 3.53 2.74 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 29 Y 7.77 5.13 0.00 2.70 2.85 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 30 A 8.95 4.70 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 31 G 7.76 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 0.00 0.00 0.00 32 P 0.00 4.49 0.00 2.14 2.04 0.00 3.71 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 33 M 7.80 4.59 0.00 1.82 1.99 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 34 E 8.40 4.17 0.00 2.03 1.80 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 2.36 2.25 0.00 35 R 8.71 3.75 0.00 1.76 1.88 0.00 3.02 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.45 0.00 36 A 7.90 4.00 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 37 G 7.91 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 0.00 0.00 0.00 38 A 7.95 3.94 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 39 E 8.52 4.01 0.00 2.20 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 2.48 0.00 40 S 8.11 4.21 0.00 3.82 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 41 I 8.00 3.98 1.80 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.72 1.02 0.00 0.00 42 L 7.90 4.24 0.00 1.74 1.75 0.99 0.99 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 A 7.20 4.12 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 44 N 8.07 4.52 0.00 2.73 2.90 0.00 0.00 6.89 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 45 R 7.08 4.06 0.00 2.10 2.02 0.00 3.40 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.87 0.00 46 S 8.41 4.74 0.00 3.97 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 47 D 8.58 4.68 0.00 2.68 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 48 G 9.17 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 0.00 0.00 0.00 49 T 8.29 4.67 4.36 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 1.39 0.00 0.00 50 F 9.80 5.39 0.00 3.08 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 51 L 9.30 5.01 0.00 1.53 1.79 0.57 0.79 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 52 V 9.49 4.98 2.72 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 1.29 0.00 0.00 1.21 0.00 0.00 53 R 9.14 4.97 0.00 1.90 1.83 0.00 2.89 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.48 0.00 54 Q 8.54 4.57 0.00 1.76 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.03 1.71 0.00 55 R 7.76 4.39 0.00 1.77 1.83 0.00 3.49 0.00 0.00 3.11 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.52 0.00 56 V 7.46 3.24 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 0.74 0.00 0.00 0.89 0.00 0.00 57 K 7.18 4.50 0.00 1.78 1.62 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.33 1.55 7.81 58 D 8.70 4.33 0.00 2.68 2.66 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 59 A 8.93 4.54 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.53 4.24 1.20 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 61 E 8.55 4.18 0.00 1.88 2.03 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 2.36 2.34 0.00 62 F 9.23 4.54 0.00 3.20 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 63 A 9.17 5.21 1.25 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 0.00 0.00 64 I 9.04 4.83 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 1.19 0.71 0.98 0.00 0.00 65 S 9.76 5.70 0.00 3.77 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.02 5.63 2.10 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 1.32 1.31 1.02 0.00 0.00 67 K 8.60 4.49 0.00 1.95 1.80 0.00 1.59 0.00 0.00 2.00 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.51 7.81 68 Y 8.76 4.71 0.00 3.00 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 69 N 8.90 4.03 0.00 3.04 3.07 0.00 0.00 7.22 7.76 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 70 V 8.15 3.46 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 0.70 0.00 0.00 0.92 0.00 0.00 71 E 8.55 4.65 0.00 1.94 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 2.41 0.00 72 V 8.49 4.40 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 0.82 0.00 0.00 1.01 0.00 0.00 73 K 8.59 4.36 0.00 1.64 1.55 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.66 1.54 7.81 74 H 8.39 5.40 0.00 2.89 3.10 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.77 4.45 1.84 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.71 1.07 0.00 0.00 76 K 8.85 4.52 0.00 1.93 1.82 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.56 7.81 77 I 8.54 4.75 2.23 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.92 1.14 0.00 0.00 78 M 9.03 4.69 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.54 0.00 79 T 8.45 4.97 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 0.48 0.00 0.00 80 A 8.46 4.39 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 81 E 9.83 3.60 0.00 2.10 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 2.17 2.25 0.00 82 G 8.37 3.94 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 0.00 0.00 0.00 83 L 7.52 4.69 0.00 1.70 1.79 0.92 0.56 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 84 Y 8.54 5.23 0.00 2.91 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 85 R 9.28 4.82 0.00 2.05 2.24 0.00 2.99 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 86 I 8.98 4.21 2.11 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 1.60 1.82 1.09 0.00 0.00 87 T 7.63 4.71 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 1.37 0.00 0.00 88 E 8.59 4.38 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 89 K 7.92 4.34 0.00 1.78 1.88 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.36 7.81 90 K 7.65 4.09 0.00 1.37 1.10 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.53 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.90 0.88 7.81 91 A 7.97 4.78 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 92 F 8.20 4.87 0.00 3.14 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 93 R 8.96 3.95 0.00 1.87 2.08 0.00 3.43 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 94 G 8.82 4.07 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 95 L 7.99 3.66 0.00 1.69 1.53 0.83 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.91 3.96 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 1.34 0.00 0.00 97 E 8.05 3.84 0.00 2.30 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 2.50 2.49 0.00 98 L 7.71 2.00 0.00 1.55 1.55 0.99 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.76 3.30 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 0.29 0.00 0.00 0.29 0.00 0.00 100 E 7.45 4.57 0.00 2.18 1.98 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 2.51 2.39 0.00 101 F 7.72 4.10 0.00 2.79 2.42 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 0.00 102 Y 7.43 4.49 0.00 3.03 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.10 3.96 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 104 Q 7.80 4.41 0.00 1.73 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.54 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 105 N 7.48 4.90 0.00 2.73 2.65 0.00 0.00 5.75 5.98 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 0.00 106 S 8.44 4.40 0.00 3.81 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 0.00 107 L 8.49 4.00 0.00 1.51 1.52 -0.10 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.11 4.19 0.00 1.91 2.07 0.00 1.53 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.50 7.81 109 D 8.26 4.40 0.00 2.78 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 0.00 110 C 8.39 4.18 0.00 2.80 2.85 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 0.00 111 F 7.52 4.74 0.00 3.00 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 0.00 112 K 8.49 3.92 0.00 1.85 1.99 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.43 7.81 113 S 8.20 4.11 0.00 3.89 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 0.00 114 L 8.27 4.13 0.00 1.47 1.60 0.50 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 115 D 7.71 4.69 0.00 2.68 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 0.00 116 T 7.13 4.80 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 0.96 0.00 0.00 117 T 8.10 4.71 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 1.23 0.00 0.00 118 L 8.30 3.44 0.00 1.08 0.15 0.42 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 7.76 3.85 0.00 1.44 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 120 F 8.42 5.55 0.00 3.04 3.10 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 0.00 121 P 0.00 4.74 0.00 1.88 2.19 0.00 4.13 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.90 0.00 122 F 8.84 4.32 0.00 3.09 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 0.00 123 K 6.71 3.42 0.00 1.18 1.50 0.00 1.55 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.57 0.21 7.81 124 E 7.14 3.63 0.00 2.28 1.85 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 2.29 2.33 0.00 125 P 0.00 4.36 0.00 2.17 1.98 0.00 3.80 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 126 E 8.18 3.85 0.00 1.90 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 2.28 2.39 0.00 127 K 8.23 4.54 0.00 1.74 1.65 0.00 1.41 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.13 1.36 7.81 128 R 7.59 4.37 0.00 1.70 1.83 0.00 3.21 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 129 T 7.74 4.50 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 1.22 0.00 0.00 130 I 8.52 3.80 1.86 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 1.29 0.63 0.90 0.00 0.00 131 S 7.62 4.65 0.00 3.76 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 0.00 132 R 8.41 4.29 0.00 1.82 1.83 0.00 3.28 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 133 S 8.14 4.63 0.00 3.97 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 0.00 134 G 7.72 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 0.00 135 P 0.00 4.35 0.00 2.19 2.13 0.00 3.77 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 1.99 1.95 0.00 136 S 8.34 4.34 0.00 4.00 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 0.00 137 S 8.81 4.07 0.00 4.00 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 0.00 138 G 8.05 4.15 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 0.00