NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3905 8.3049 118.2335 55.8533 32.4290 173.5252 2 S 3.2321 8.5791 118.4943 58.1332 59.0765 170.2197 3 F 4.8889 8.4259 123.3163 56.2841 44.1106 174.4985 4 W 4.3876 9.2154 121.2860 59.6316 29.1219 178.4796 5 K 4.1223 8.4509 115.2497 57.2473 31.9556 177.5733 6 T 3.5918 8.1496 100.7403 62.5257 66.6798 170.6255 7 L 4.3778 7.5932 127.9710 54.7328 45.0484 173.7005 8 Q 4.3091 8.6068 125.4895 55.8545 30.2207 174.4755 9 R 3.7211 8.3356 124.0950 56.7811 26.7537 174.7714 10 Q 4.4476 8.0888 119.7790 53.9473 30.3059 175.6140 11 P 4.6999 0.0000 0.0000 62.8726 32.5032 173.8787 12 R 4.6903 8.5680 114.2589 58.6422 35.0960 176.0317 13 T 4.6457 8.1148 117.8131 62.6670 70.1848 173.7412 14 I 4.9176 8.2635 128.2989 60.1543 38.8505 175.5950 15 S 4.9675 9.5786 125.6149 57.4011 63.9804 173.0850 16 L 5.5006 8.9754 128.0117 53.4837 44.4331 175.4420 17 F 5.8907 9.7868 124.6894 55.9493 42.0918 174.7155 18 T 4.8098 8.3357 116.9353 61.8328 70.6637 174.9750 19 N 5.3212 8.1573 120.6884 52.7064 39.4069 172.1538 20 D 4.6045 8.2009 123.9681 53.7803 43.3425 172.1739 21 I 4.1476 8.4025 123.0591 60.8299 43.5602 175.7579 22 A 4.6285 8.4988 126.6922 51.6126 20.7294 176.5271 23 S 3.2556 8.0541 102.9555 62.5240 63.7259 174.7726 24 N 4.6734 8.2716 129.5612 52.2063 37.9360 175.6935 25 I 3.4058 8.3697 125.5359 64.4489 37.5510 178.9675 26 K 3.9457 8.1216 119.0353 59.5282 32.2598 178.6680 27 S 4.1198 8.0207 112.9223 61.2865 62.1855 175.4363 28 Q 4.1105 8.8426 123.6969 59.6733 29.1836 177.6154 29 K 3.8809 7.8486 121.2095 58.4248 32.7884 178.1514 30 C 4.3363 8.0036 114.8184 62.8769 29.5670 176.6328 31 L 4.0214 7.8926 118.0083 58.0444 41.7108 179.4222 32 Q 4.1419 8.5471 118.3684 58.4815 28.4027 178.3841 33 L 3.9528 7.2068 119.4654 58.1889 42.3496 178.9188 34 L 4.3263 8.6178 117.6253 56.5443 41.6332 178.6952 35 K 4.2197 7.5223 117.0488 55.4772 32.1333 176.1753 36 G 3.8129 9.3315 111.5460 46.5806 0.0000 178.3119 37 D 4.6643 9.1811 122.5727 53.7004 40.9396 174.3857 38 V 4.1039 8.1057 118.7327 61.5801 33.0972 175.2878 39 S 5.4043 9.2651 116.9939 54.7679 65.3507 174.6085 40 H 4.5229 9.3884 120.0016 55.9049 32.1192 174.1614 41 R 4.3046 8.6622 123.6393 56.6772 29.3801 176.1213 42 F 4.9624 7.6025 108.5082 54.9648 41.4355 172.9354 43 D 4.4643 8.0309 117.7539 52.7340 42.2017 176.1324 44 V 4.2763 7.6984 123.7975 61.6341 33.2881 174.4845 45 E 4.6111 8.8065 127.6555 54.5350 32.0806 174.4648 46 I 4.7737 8.5305 127.9837 59.6527 38.9022 174.9350 47 A 4.7878 9.1352 129.1460 49.8776 22.8606 174.1258 48 N 5.5147 8.6213 118.7650 50.7355 38.9112 174.1400 49 R 4.7046 8.0881 118.2277 55.0561 31.7619 173.8139 50 F 4.6956 8.3188 122.3230 57.5589 40.2259 174.7092 51 P 4.7612 0.0000 0.0000 62.0005 29.8401 177.0101 52 T 3.7546 7.3525 111.2715 62.2683 71.0403 174.9906 53 W 4.0949 8.8391 132.1030 60.2249 30.5252 177.7021 54 D 4.6173 8.3613 118.1591 57.9690 40.4317 178.4316 55 Q 4.3222 7.9800 117.2365 58.4365 28.6962 178.0174 56 L 3.9786 8.3888 121.7651 57.3668 41.8090 178.6981 57 Q 2.8272 8.1401 118.4677 59.2935 27.8971 179.0839 58 Y 4.0402 7.5947 118.2732 61.1969 37.6307 177.9828 59 M 4.0213 7.9249 119.3272 57.9259 31.9245 178.5449 60 R 3.7061 8.8180 116.8146 59.4101 29.2918 178.7046 61 T 4.0872 7.0928 109.1220 64.1722 70.0357 176.7058 62 S 4.4097 7.3257 117.0859 56.1904 61.7759 173.8217 63 C 4.6616 6.7239 118.1544 58.2017 34.3855 172.4262 64 P 4.5315 0.0000 0.0000 65.3918 31.6668 177.3176 65 Q 4.2545 8.0990 116.5466 55.2150 31.1371 180.0269 66 G 3.8138 7.8390 105.5107 45.6692 0.0000 173.7614 67 P 4.1118 0.0000 0.0000 65.6608 32.0498 177.6231 68 V 3.6183 8.1680 118.4821 66.2771 31.0099 178.2291 69 S 4.3987 7.2054 114.7274 60.9500 62.8449 176.4283 70 L 4.7085 8.5330 123.7829 57.2217 41.1106 179.2522 71 Q 4.0635 7.9986 116.9961 59.6388 28.1150 178.7252 72 R 4.0214 8.2440 118.7936 58.2193 30.2173 178.3014 73 Q 4.0382 8.0560 119.8145 58.0000 29.3262 176.2592 74 I 4.1014 6.8696 118.0590 59.0635 39.1627 173.1148 75 P 4.1557 0.0000 0.0000 63.3728 32.1272 175.4692 76 K 3.8298 8.2750 118.3328 57.3655 29.9490 177.6760 77 L 4.0787 8.0095 120.6641 58.5710 39.9165 177.4334 78 D 4.3289 8.1254 118.6222 56.7516 41.2631 178.4963 79 S 4.2623 8.6931 114.2787 61.1866 62.4333 176.4208 80 V 4.0235 7.7381 121.3179 64.3925 31.4562 177.4594 81 L 4.0704 10.8200 119.4164 54.5905 42.0546 176.8559 82 K 3.6741 7.8803 116.0509 56.6023 32.2004 175.6672 83 Y 4.9284 8.3381 111.9075 56.0104 41.3062 178.6548 84 K 4.5646 8.9655 123.6095 57.2351 31.4448 179.5808 85 H 4.0606 8.5944 110.5316 58.8433 28.7156 176.3566 86 T 4.1755 8.5348 114.0866 65.0171 67.7566 172.4410 87 D 5.0637 10.1423 117.5360 53.1589 41.0224 176.1888 88 P 4.3977 0.0000 0.0000 63.8905 31.1738 176.8516 89 T 4.0162 7.7793 115.5140 64.2633 67.5864 175.5634 90 F 4.6980 7.2607 116.5069 57.7112 42.1772 177.2671 91 G 3.7619 7.7667 98.9474 50.8077 0.0000 175.6015 92 M 3.2890 9.3292 114.7864 55.7021 33.9898 178.3436 93 D 5.8070 9.5876 127.2455 51.7734 42.4127 178.1410 94 L 4.2990 8.8667 125.9578 58.4488 40.7125 178.8698 95 Q 4.1835 8.2762 118.8235 58.8523 28.3787 178.6047 96 K 4.0014 7.8150 118.9224 58.7479 32.3525 178.2678 97 C 4.4118 7.8244 115.9424 61.8436 29.2483 176.1628 98 V 3.8935 9.4528 120.6283 65.6306 30.8442 177.7323 99 Q 4.0229 8.4113 118.1696 57.4287 28.1540 178.6895 100 R 5.7304 7.4236 131.9962 57.4242 31.9168 176.9440 101 G 3.9368 7.6940 106.4356 46.0768 0.0000 177.3196 102 L 2.7233 6.8714 119.8109 54.5131 45.3506 175.0463 103 W 5.2489 7.8204 128.1216 55.8374 34.4657 175.2598 104 N 5.6492 9.1403 120.2067 49.8418 35.7875 172.6647 105 P 4.6634 0.0000 0.0000 63.3818 33.0661 177.3847 106 K 5.2868 7.9742 115.6572 55.6645 32.9195 175.8965 107 E 4.8820 7.7761 116.9518 54.4934 32.7386 176.7010 108 A 4.7997 8.5315 124.0481 50.2431 22.0299 175.1277 109 L 4.7719 8.3759 122.1845 53.0189 43.7465 175.4141 110 W 5.4446 8.6321 134.7981 55.7422 33.1541 174.7612 111 V 3.8659 9.2376 120.3513 59.1888 35.1927 173.9151 112 D 5.1991 8.6855 125.6498 52.2411 43.0708 176.2096 113 W 4.4882 8.5014 134.8494 57.1527 31.3593 175.7429 114 E 4.3576 8.7913 118.4208 58.3846 29.5220 176.2213 115 N 4.7892 9.6712 114.6425 52.1364 39.9891 173.7440 116 K 3.8462 7.8385 113.8530 58.9716 30.4228 175.5743 117 L 4.4750 7.9209 119.2619 54.2070 43.6505 176.2212 118 V 3.9356 7.6414 123.0868 60.9172 35.1320 175.0884 119 G 3.8111 7.9892 106.4338 46.0280 0.0000 172.9073 120 N 4.9605 8.6324 124.9340 52.9840 37.4212 173.6423 121 E 5.6339 8.1740 128.5537 55.2569 33.2960 175.8887 122 P 4.4233 0.0000 0.0000 65.2327 32.1548 178.3396 123 A 4.1522 7.8652 120.8703 54.7745 17.7629 179.0000 124 D 4.3133 7.8479 116.9716 57.8537 40.8510 179.1128 125 I 3.2869 7.6693 119.2816 64.0806 36.9578 177.5005 126 D 4.3752 8.0687 117.4760 57.5764 40.9925 178.4487 127 K 4.1556 8.6179 117.9517 60.4329 32.2284 177.9503 128 Y 4.9371 8.3222 119.2608 57.7396 39.2481 175.3366 129 I 4.0003 8.2087 124.1815 57.9152 38.6854 176.3123 130 I 3.9489 7.5817 122.6499 60.7014 38.0636 176.5187 131 Q 4.1615 8.7479 117.0527 59.6245 28.1483 178.7418 132 R 5.7194 7.8329 112.4012 55.9408 30.1895 174.6751 133 K 3.8167 8.0345 125.8717 57.5982 33.6611 174.3585 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 4.39 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 2 S 8.58 3.23 0.00 3.74 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 3 F 8.43 4.89 0.00 3.07 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 4 W 9.22 4.39 0.00 3.29 3.33 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 0.00 0.00 0.00 0.00 5 K 8.45 4.12 0.00 1.78 1.91 0.00 1.97 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.52 1.36 7.81 6 T 8.15 3.59 4.33 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 0.00 0.00 0.00 1.30 0.00 0.00 7 L 7.59 4.38 0.00 1.64 1.59 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.61 4.31 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.26 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 9 R 8.34 3.72 0.00 2.00 2.23 0.00 3.25 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 10 Q 8.09 4.45 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.38 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 11 P 0.00 4.70 0.00 2.32 2.63 0.00 3.47 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 1.56 1.90 0.00 12 R 8.57 4.69 0.00 1.90 1.92 0.00 3.19 0.00 0.00 3.36 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 13 T 8.11 4.65 4.59 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 1.30 0.00 0.00 14 I 8.26 4.92 2.08 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 1.75 0.86 -0.25 0.00 0.00 15 S 9.58 4.97 0.00 4.26 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 16 L 8.98 5.50 0.00 1.88 1.86 1.18 0.99 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 17 F 9.79 5.89 0.00 2.94 2.98 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 18 T 8.34 4.81 4.30 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 1.25 0.00 0.00 19 N 8.16 5.32 0.00 2.92 2.74 0.00 0.00 6.72 8.09 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 20 D 8.20 4.60 0.00 3.07 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 21 I 8.40 4.15 1.90 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 1.24 0.49 0.92 0.00 0.00 22 A 8.50 4.63 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 23 S 8.05 3.26 0.00 3.89 3.74 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 24 N 8.27 4.67 0.00 2.76 2.97 0.00 0.00 6.82 7.33 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 25 I 8.37 3.41 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.88 0.99 0.00 0.00 26 K 8.12 3.95 0.00 1.85 1.85 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.57 7.81 27 S 8.02 4.12 0.00 3.89 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 28 Q 8.84 4.11 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 29 K 7.85 3.88 0.00 2.18 1.89 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.54 7.81 30 C 8.00 4.34 0.00 3.05 2.97 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 31 L 7.89 4.02 0.00 1.78 1.73 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.55 4.14 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.78 0.00 33 L 7.21 3.95 0.00 1.99 1.85 0.97 1.08 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 34 L 8.62 4.33 0.00 1.53 1.71 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.52 4.22 0.00 1.97 1.94 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.44 1.71 7.81 36 G 9.33 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 37 D 9.18 4.66 0.00 2.63 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 38 V 8.11 4.10 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 0.90 0.00 0.00 0.86 0.00 0.00 39 S 9.27 5.40 0.00 3.68 3.56 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 40 H 9.39 4.52 0.00 3.26 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.66 4.30 0.00 1.96 2.28 0.00 3.26 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 42 F 7.60 4.96 0.00 3.03 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 43 D 8.03 4.46 0.00 2.58 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.70 4.28 1.90 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 0.80 0.00 0.00 -0.08 0.00 0.00 45 E 8.81 4.61 0.00 2.30 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 2.21 2.30 0.00 46 I 8.53 4.77 1.87 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 1.28 0.66 0.95 0.00 0.00 47 A 9.14 4.79 1.03 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 48 N 8.62 5.51 0.00 2.72 2.84 0.00 0.00 6.24 7.65 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 49 R 8.09 4.70 0.00 1.89 1.81 0.00 2.78 0.00 0.00 2.46 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.28 0.00 50 F 8.32 4.70 0.00 3.34 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 51 P 0.00 4.76 0.00 2.00 1.89 0.00 3.48 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 52 T 7.35 3.75 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 1.56 0.00 0.00 53 W 8.84 4.09 0.00 3.47 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 54 D 8.36 4.62 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 55 Q 7.98 4.32 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.97 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 56 L 8.39 3.98 0.00 1.58 1.76 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.14 2.83 0.00 0.95 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 5.89 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 58 Y 7.59 4.04 0.00 3.23 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 59 M 7.92 4.02 0.00 1.87 1.99 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 2.57 2.55 0.00 60 R 8.82 3.71 0.00 2.10 2.07 0.00 3.24 0.00 0.00 3.60 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 61 T 7.09 4.09 4.17 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 1.13 0.00 0.00 62 S 7.33 4.41 0.00 3.72 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 63 C 6.72 4.66 0.00 2.97 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 64 P 0.00 4.53 0.00 2.18 2.12 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 65 Q 8.10 4.25 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 5.77 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 66 G 7.84 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 67 P 0.00 4.11 0.00 2.48 2.49 0.00 3.91 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.32 0.00 68 V 8.17 3.62 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 0.87 0.00 0.00 0.94 0.00 0.00 69 S 7.21 4.40 0.00 4.08 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 70 L 8.53 4.71 0.00 1.65 1.55 0.82 0.64 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 71 Q 8.00 4.06 0.00 2.23 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.89 0.00 0.00 0.00 0.00 0.00 2.57 2.37 0.00 72 R 8.24 4.02 0.00 1.80 1.99 0.00 3.29 0.00 0.00 3.11 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.92 0.00 73 Q 8.06 4.04 0.00 2.40 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 74 I 6.87 4.10 1.76 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.77 0.86 0.00 0.00 75 P 0.00 4.16 0.00 1.53 1.39 0.00 3.96 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 2.24 1.89 0.00 76 K 8.27 3.83 0.00 2.39 2.18 0.00 2.31 0.00 0.00 2.02 0.00 0.00 3.06 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.54 1.73 7.81 77 L 8.01 4.08 0.00 1.88 2.04 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.13 4.33 0.00 2.66 2.80 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 79 S 8.69 4.26 0.00 4.03 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 80 V 7.74 4.02 2.37 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 0.93 0.00 0.00 1.22 0.00 0.00 81 L 10.82 4.07 0.00 1.59 1.88 0.81 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.88 3.67 0.00 1.50 0.74 0.00 1.43 0.00 0.00 1.48 0.00 0.00 3.16 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.63 0.21 7.81 83 Y 8.34 4.93 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.97 4.56 0.00 1.86 1.51 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.39 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.56 7.81 85 H 8.59 4.06 0.00 3.56 3.39 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.53 4.18 4.50 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 1.52 0.00 0.00 87 D 10.14 5.06 0.00 3.00 2.61 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 88 P 0.00 4.40 0.00 2.21 2.13 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 89 T 7.78 4.02 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 0.64 0.00 0.00 90 F 7.26 4.70 0.00 2.79 1.45 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 0.00 91 G 7.77 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 M 9.33 3.29 0.00 2.13 2.08 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 2.66 2.59 0.00 93 D 9.59 5.81 0.00 2.64 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 94 L 8.87 4.30 0.00 1.89 2.26 1.18 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.28 4.18 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.09 0.00 0.00 0.00 0.00 0.00 2.68 2.61 0.00 96 K 7.82 4.00 0.00 1.77 1.87 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.67 1.63 7.81 97 C 7.82 4.41 0.00 2.95 2.60 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 0.00 0.00 0.00 0.00 98 V 9.45 3.89 2.41 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 1.11 0.00 0.00 0.95 0.00 0.00 99 Q 8.41 4.02 0.00 2.19 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 100 R 7.42 5.73 0.00 1.99 2.11 0.00 3.44 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 101 G 7.69 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 0.00 102 L 6.87 2.72 0.00 1.48 1.93 0.22 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 103 W 7.82 5.25 0.00 3.50 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 0.00 104 N 9.14 5.65 0.00 2.99 2.93 0.00 0.00 6.51 7.85 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 0.00 105 P 0.00 4.66 0.00 2.35 2.13 0.00 4.15 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 106 K 7.97 5.29 0.00 1.71 1.80 0.00 1.65 0.00 0.00 2.37 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.52 7.81 107 E 7.78 4.88 0.00 1.77 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 2.23 2.59 0.00 108 A 8.53 4.80 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 0.00 109 L 8.38 4.77 0.00 1.72 1.53 1.19 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 110 W 8.63 5.44 0.00 3.34 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 0.00 111 V 9.24 3.87 1.81 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 0.38 0.00 0.00 0.96 0.00 0.00 112 D 8.69 5.20 0.00 2.52 2.59 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 0.00 113 W 8.50 4.49 0.00 3.39 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 0.00 114 E 8.79 4.36 0.00 2.23 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 2.50 2.35 0.00 115 N 9.67 4.79 0.00 2.85 2.91 0.00 0.00 7.41 6.62 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 0.00 116 K 7.84 3.85 0.00 1.82 1.79 0.00 1.07 0.00 0.00 0.61 0.00 0.00 2.89 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.16 1.26 7.81 117 L 7.92 4.48 0.00 1.89 1.56 -0.13 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.64 3.94 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 0.59 0.00 0.00 0.63 0.00 0.00 119 G 7.99 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 0.00 120 N 8.63 4.96 0.00 2.65 2.95 0.00 0.00 6.50 7.53 0.00 0.00 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 E 8.17 5.63 0.00 2.20 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 2.09 2.02 0.00 122 P 0.00 4.42 0.00 2.30 2.34 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 123 A 7.87 4.15 1.45 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 0.00 0.00 0.00 124 D 7.85 4.31 0.00 3.29 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 0.00 125 I 7.67 3.29 1.88 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 -0.16 0.79 0.00 0.00 126 D 8.07 4.38 0.00 2.64 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 0.00 127 K 8.62 4.16 0.00 1.95 1.93 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.53 7.81 128 Y 8.32 4.94 0.00 3.16 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 0.00 129 I 8.21 4.00 0.56 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 -0.05 0.17 0.00 0.00 130 I 7.58 3.95 1.84 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 1.56 0.81 0.99 0.00 0.00 131 Q 8.75 4.16 0.00 2.20 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 132 R 7.83 5.72 0.00 1.94 1.98 0.00 2.78 0.00 0.00 3.79 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.70 0.00 133 K 8.03 3.82 0.00 1.23 1.59 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.18 7.81