NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5107 8.3049 118.2055 54.9042 32.7344 174.6745 2 D 4.5019 8.3588 119.4195 53.6446 42.3310 174.0275 3 G 4.5754 9.3663 109.6542 44.7263 0.0000 171.6358 4 Y 4.8426 9.3625 119.8237 55.7379 41.7994 174.8543 5 K 5.1186 8.7062 121.1725 54.7259 35.4603 175.7912 6 V 4.5010 8.6647 124.2833 60.8695 35.1794 174.2143 7 E 4.6699 8.7484 128.0742 55.4285 31.0575 175.9319 8 V 3.7933 7.9271 125.4436 65.0093 32.2015 176.5598 9 G 4.1582 9.5315 115.4520 45.0490 0.0000 173.2018 10 K 4.4687 7.8273 119.2881 55.2769 35.0702 174.6529 11 N 5.2866 8.4453 117.8886 51.9044 40.0410 175.0552 12 A 4.3190 8.7556 126.4955 51.4130 20.3295 175.2976 13 Y 4.7235 8.5728 123.4956 55.7574 40.8978 174.8149 14 L 4.1478 8.0761 128.1563 51.8400 43.8851 174.2377 15 P 4.5320 0.0000 0.0000 62.8658 32.5826 176.5504 16 C 5.0409 8.9931 121.4987 55.8190 47.4253 172.6506 17 S 5.4244 8.6093 119.4160 57.8426 65.4825 172.5829 18 Y 5.0475 8.3528 118.1573 55.7816 41.4406 174.9519 19 T 3.9899 8.8191 117.4000 63.1147 68.4873 174.2989 20 L 4.5328 8.0642 129.4919 52.4643 42.8382 174.3431 21 P 4.3694 0.0000 0.0000 62.6986 31.9505 175.9904 22 T 4.0583 8.5515 117.4836 65.4588 68.6146 174.2241 23 S 3.7373 8.7926 120.9977 59.0062 62.0441 172.7586 24 G 3.9181 7.9439 107.9503 46.1320 0.0000 174.6733 25 T 4.0739 8.2376 118.2425 62.8584 69.4456 174.8285 26 L 4.2386 8.4230 125.4012 54.8524 42.4049 176.1973 27 V 4.2096 8.2554 122.4445 60.7423 32.5230 174.2494 28 P 4.5517 0.0000 0.0000 63.3279 32.5806 174.9231 29 M 5.1388 8.4406 118.3349 54.4261 35.1720 170.9700 30 C 5.4407 8.9282 113.1094 53.7295 42.9152 172.6494 31 W 5.2870 9.4514 120.9809 55.1972 31.2915 175.4344 32 G 4.6165 9.1488 110.2824 43.3461 0.0000 171.8186 33 K 4.1455 8.8887 124.6890 54.4001 31.1611 175.9673 34 G 3.9994 7.4857 112.5024 45.4652 0.0000 169.4383 35 F 4.3475 8.8241 118.3467 57.3274 39.7569 176.5418 36 C 4.5268 9.5101 120.5146 56.7812 40.4765 172.6815 37 P 4.6245 0.0000 0.0000 61.3909 33.1876 175.3961 38 W 4.4819 8.8659 127.0673 60.0437 30.7578 176.6071 39 S 4.3111 7.4237 110.8766 57.2027 65.4806 174.0527 40 Q 3.1608 8.5017 127.5899 57.6132 28.1717 173.4970 41 C 5.0919 8.4986 112.3530 54.9608 38.3320 173.2135 42 T 4.4523 8.2269 111.6081 61.3223 70.8622 173.8730 43 N 4.3607 8.6292 118.1531 53.9508 35.9536 174.2784 44 E 4.3496 7.8954 116.9242 57.0243 30.9489 175.6489 45 L 4.3666 9.1668 125.3669 55.8423 44.7275 176.3473 46 L 5.0788 7.6561 118.4646 53.9837 45.7346 174.1432 47 R 5.3158 9.4582 125.7863 54.8994 33.8838 173.6967 48 T 5.2602 8.9310 114.4664 60.1686 72.1596 172.8127 49 D 5.1443 8.5882 121.9862 52.5102 40.9293 176.0162 50 E 4.6766 8.7978 115.7331 58.1923 29.9208 177.4370 51 R 4.3795 8.1070 117.2542 57.2429 32.1532 174.9265 52 N 4.3355 7.7222 113.3992 52.5304 41.7591 172.7035 53 V 4.2420 8.5222 119.5960 63.9971 31.2922 175.7364 54 T 4.6940 9.1440 115.8339 61.8129 70.6915 173.4592 55 Y 4.8845 7.7717 122.6275 56.1654 42.6408 173.2949 56 Q 4.3760 7.5152 126.2194 54.2331 31.3926 174.1232 57 K 3.8672 9.1176 129.3085 58.6170 32.8913 176.3799 58 S 4.5830 7.7578 111.9599 57.2397 65.4283 174.9826 59 S 4.2663 8.5055 114.3635 60.7832 63.0136 175.6614 60 R 3.8779 7.6916 119.3101 58.3228 30.9194 175.7343 61 Y 4.9271 7.7562 116.8051 56.3076 39.4517 175.6161 62 Q 4.6107 8.7208 122.8990 53.7224 33.6758 174.6765 63 L 4.4936 8.5619 123.0416 54.9970 41.5109 176.8638 64 K 4.1045 9.2600 126.9262 58.0505 33.0982 176.6501 65 G 4.2674 7.7932 107.6114 43.3479 0.0000 171.6382 66 D 4.7314 8.3591 120.6828 52.1042 41.4216 177.7382 67 L 4.1675 8.5025 128.4578 58.6811 40.4049 178.6246 68 N 4.6155 8.4997 115.0669 54.4248 38.6143 175.5656 69 K 4.3195 8.2233 117.1251 55.7484 33.0133 176.9353 70 G 3.0375 7.9948 107.5459 45.3633 0.0000 172.9582 71 D 4.9765 7.6878 119.8779 53.1613 40.6402 176.6230 72 V 4.8055 8.1854 123.2606 60.9598 32.3202 176.8305 73 S 4.5015 8.3950 116.4577 58.7754 64.1466 173.3691 74 L 4.6590 8.2317 126.0522 53.2144 44.0999 174.6425 75 I 4.7422 8.5138 126.3329 59.2578 40.6253 174.0954 76 I 4.5078 8.2747 129.9280 59.3056 39.2308 175.2864 77 K 4.3203 8.5520 127.4789 56.1266 33.0211 176.8109 78 N 4.2906 9.0770 119.5018 53.6359 37.6567 174.3118 79 V 4.1382 8.2425 114.1867 61.4261 33.0390 176.1438 80 T 4.8860 8.5316 112.1695 59.0479 71.8011 174.5735 81 L 3.9564 8.5462 122.4746 58.3444 41.9273 178.4269 82 D 4.4944 7.7841 117.0115 56.8539 41.1719 176.5351 83 D 4.7379 8.0501 117.4016 55.4944 41.1329 176.4172 84 H 4.6059 7.9880 115.6108 55.8513 29.5172 175.4388 85 G 3.7192 8.2208 107.0618 44.5865 0.0000 172.1828 86 T 4.7005 8.1673 116.6227 63.1505 70.0321 173.7780 87 Y 4.8176 9.0255 123.0673 56.2309 42.0365 173.6474 88 C 5.3233 9.6017 123.1187 54.9447 47.1065 171.5125 89 C 4.2649 8.7684 127.1021 54.4328 46.4525 172.1544 90 R 4.8088 8.4374 127.0748 54.4987 32.6679 174.0047 91 I 4.0900 8.5367 128.0325 59.2445 38.7910 176.2901 92 Q 5.0837 7.9251 131.3645 53.1826 26.2564 176.1975 93 F 4.0786 7.4960 117.5503 57.0487 39.9940 174.1597 94 P 4.1142 0.0000 0.0000 64.3541 31.8126 176.3274 95 G 4.1811 8.7329 107.6773 45.2903 0.0000 172.8316 96 L 3.8910 8.2654 122.4204 56.5086 42.4719 176.5311 97 M 3.1553 8.4025 123.8757 56.5417 29.7021 177.2736 98 N 4.6793 7.6507 115.7837 53.7729 39.9331 175.1644 99 D 4.6523 7.8584 119.0186 54.6992 42.3243 175.3348 100 K 4.5742 9.0372 124.6004 55.2604 33.6071 175.1561 101 K 4.9098 8.6514 127.1930 54.4532 34.4161 175.3468 102 L 4.7779 8.7949 127.2122 53.1347 44.9920 174.7437 103 E 5.2967 8.8935 124.8288 54.5983 32.3401 175.2911 104 L 5.1008 8.8988 122.7431 52.8688 46.4346 175.2305 105 K 4.8450 9.1453 123.9506 55.2062 34.1384 174.7552 106 L 5.2554 9.3976 129.8097 53.5487 44.3969 174.5648 107 D 5.4079 9.6850 126.3468 52.6144 44.1725 175.0799 108 I 5.0592 8.4105 122.7106 59.3646 39.5054 175.7569 109 K 4.2642 9.0238 126.1413 56.9482 32.6646 176.0297 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 M 8.30 4.51 0.00 2.18 2.39 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 2 D 8.36 4.50 0.00 2.83 2.62 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 0.00 0.00 0.00 0.00 3 G 9.37 4.58 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 0.00 4 Y 9.36 4.84 0.00 2.92 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 5 K 8.71 5.12 0.00 1.60 1.70 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.40 7.81 6 V 8.66 4.50 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 1.07 0.00 0.00 0.97 0.00 0.00 7 E 8.75 4.67 0.00 2.10 1.79 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 2.37 2.30 0.00 8 V 7.93 3.79 2.08 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 0.79 0.00 0.00 0.94 0.00 0.00 9 G 9.53 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 10 K 7.83 4.47 0.00 1.82 1.74 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.54 7.81 11 N 8.45 5.29 0.00 2.56 2.69 0.00 0.00 6.79 7.35 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 12 A 8.76 4.32 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 13 Y 8.57 4.72 0.00 2.88 2.81 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 14 L 8.08 4.15 0.00 0.69 1.23 0.14 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.53 0.00 2.20 2.27 0.00 3.47 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 16 C 8.99 5.04 0.00 3.11 3.24 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 17 S 8.61 5.42 0.00 3.95 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 18 Y 8.35 5.05 0.00 3.20 2.95 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 19 T 8.82 3.99 4.34 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 1.24 0.00 0.00 20 L 8.06 4.53 0.00 1.17 1.42 1.08 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.37 0.00 2.26 2.01 0.00 3.79 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 22 T 8.55 4.06 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 1.22 0.00 0.00 23 S 8.79 3.74 0.00 4.10 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 24 G 7.94 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 25 T 8.24 4.07 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 1.23 0.00 0.00 26 L 8.42 4.24 0.00 1.78 1.67 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.26 4.21 1.01 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 0.05 0.00 0.00 0.87 0.00 0.00 28 P 0.00 4.55 0.00 1.98 1.99 0.00 3.47 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 29 M 8.44 5.14 0.00 1.82 1.96 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 30 C 8.93 5.44 0.00 3.04 3.26 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 31 W 9.45 5.29 0.00 3.25 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 32 G 9.15 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.89 4.15 0.00 1.60 1.59 0.00 1.91 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.91 0.21 7.81 34 G 7.49 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 35 F 8.82 4.35 0.00 2.93 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 36 C 9.51 4.53 0.00 2.85 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 37 P 0.00 4.62 0.00 2.24 2.14 0.00 3.86 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 2.24 1.94 0.00 38 W 8.87 4.48 0.00 3.29 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 39 S 7.42 4.31 0.00 3.67 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 40 Q 8.50 3.16 0.00 2.11 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 41 C 8.50 5.09 0.00 3.11 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 42 T 8.23 4.45 4.24 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 1.23 0.00 0.00 43 N 8.63 4.36 0.00 2.99 2.81 0.00 0.00 6.56 7.66 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 44 E 7.90 4.35 0.00 1.80 1.79 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 2.20 2.53 0.00 45 L 9.17 4.37 0.00 1.51 0.97 1.13 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.66 5.08 0.00 1.75 1.65 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 47 R 9.46 5.32 0.00 2.15 1.83 0.00 3.22 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 48 T 8.93 5.26 4.37 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 1.27 0.00 0.00 49 D 8.59 5.14 0.00 2.70 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 50 E 8.80 4.68 0.00 1.96 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 2.31 2.49 0.00 51 R 8.11 4.38 0.00 1.86 1.95 0.00 3.21 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 52 N 7.72 4.34 0.00 2.67 2.64 0.00 0.00 6.82 7.71 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 53 V 8.52 4.24 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 0.93 0.00 0.00 0.96 0.00 0.00 54 T 9.14 4.69 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 1.30 0.00 0.00 55 Y 7.77 4.88 0.00 3.05 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 56 Q 7.52 4.38 0.00 1.91 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 57 K 9.12 3.87 0.00 1.82 1.57 0.00 1.83 0.00 0.00 1.24 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.28 7.81 58 S 7.76 4.58 0.00 4.04 4.02 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 59 S 8.51 4.27 0.00 3.97 4.02 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 60 R 7.69 3.88 0.00 1.53 1.39 0.00 3.07 0.00 0.00 3.04 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 61 Y 7.76 4.93 0.00 2.82 2.81 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 62 Q 8.72 4.61 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 63 L 8.56 4.49 0.00 1.56 1.67 1.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 64 K 9.26 4.10 0.00 1.73 1.96 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.59 7.81 65 G 7.79 4.27 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 0.00 66 D 8.36 4.73 0.00 2.76 2.57 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 0.00 0.00 0.00 0.00 67 L 8.50 4.17 0.00 1.93 1.98 0.96 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 68 N 8.50 4.62 0.00 3.06 2.91 0.00 0.00 6.82 7.13 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 69 K 8.22 4.32 0.00 1.75 1.74 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.50 7.81 70 G 7.99 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 0.00 0.00 0.00 71 D 7.69 4.98 0.00 2.69 2.81 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 72 V 8.19 4.81 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 0.90 0.00 0.00 1.08 0.00 0.00 73 S 8.40 4.50 0.00 3.83 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 74 L 8.23 4.66 0.00 0.27 0.13 0.69 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.51 4.74 1.85 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.13 0.87 0.00 0.00 76 I 8.27 4.51 1.63 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.29 0.54 0.00 0.00 77 K 8.55 4.32 0.00 1.48 1.63 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.39 7.81 78 N 9.08 4.29 0.00 2.80 2.68 0.00 0.00 7.12 7.75 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 79 V 8.24 4.14 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 0.64 0.00 0.00 0.96 0.00 0.00 80 T 8.53 4.89 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 1.21 0.00 0.00 81 L 8.55 3.96 0.00 1.76 1.76 0.92 1.05 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 82 D 7.78 4.49 0.00 2.64 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 83 D 8.05 4.74 0.00 2.92 2.81 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 84 H 7.99 4.61 0.00 3.48 3.45 0.00 5.55 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.22 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 0.00 0.00 0.00 86 T 8.17 4.70 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 0.44 0.00 0.00 87 Y 9.03 4.82 0.00 2.97 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 88 C 9.60 5.32 0.00 3.05 2.90 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 89 C 8.77 4.26 0.00 1.23 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 0.00 0.00 0.00 0.00 90 R 8.44 4.81 0.00 1.71 1.54 0.00 3.17 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.43 0.00 91 I 8.54 4.09 1.48 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 0.87 0.21 -0.59 0.00 0.00 92 Q 7.93 5.08 0.00 1.81 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.76 0.00 0.00 0.00 0.00 0.00 2.37 1.97 0.00 93 F 7.50 4.08 0.00 3.16 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 94 P 0.00 4.11 0.00 2.06 2.02 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 95 G 8.73 4.18 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 0.00 96 L 8.27 3.89 0.00 1.61 1.61 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 97 M 8.40 3.16 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 98 N 7.65 4.68 0.00 3.08 2.87 0.00 0.00 7.05 7.93 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 99 D 7.86 4.65 0.00 2.52 2.50 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 0.00 100 K 9.04 4.57 0.00 2.10 1.78 0.00 1.75 0.00 0.00 1.90 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.47 7.81 101 K 8.65 4.91 0.00 1.64 1.67 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.35 7.81 102 L 8.79 4.78 0.00 1.65 1.45 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.89 5.30 0.00 1.84 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 2.12 2.29 0.00 104 L 8.90 5.10 0.00 1.64 1.64 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 105 K 9.15 4.84 0.00 1.93 1.77 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.52 7.81 106 L 9.40 5.26 0.00 1.70 1.85 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 107 D 9.68 5.41 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.41 5.06 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.11 0.96 0.00 0.00 109 K 9.02 4.26 0.00 1.77 1.87 0.00 1.35 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.35 7.81