NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6679 8.0932 115.3715 57.8822 65.1893 172.6217 2 I 4.3398 8.4340 123.2005 59.9153 37.5457 170.2763 3 V 4.5296 9.1305 128.4449 60.0614 33.9741 175.1332 4 V 4.7871 8.0927 122.2252 61.0315 34.6763 173.7597 5 S 4.5888 8.2788 115.2340 56.1444 66.7003 172.5680 6 P 4.3351 0.0000 0.0000 63.7059 31.8295 175.5187 7 I 4.2402 9.0580 125.4117 59.8532 38.9921 174.6795 8 L 4.9395 8.5511 127.7054 53.4152 42.8379 175.7794 9 I 4.7186 8.8802 125.9089 58.4846 40.2128 173.6459 10 P 4.9175 0.0000 0.0000 62.5784 32.3973 176.5440 11 E 4.3912 9.1930 122.4754 57.0085 31.0978 176.9196 12 N 4.3444 9.8340 113.7660 52.7265 38.0592 174.5807 13 Q 4.0587 8.2966 118.2413 56.9153 28.8922 176.5451 14 R 5.1034 8.2401 120.5505 53.8234 32.7782 174.9718 15 Q 3.7623 8.4276 117.4581 55.5233 28.6432 174.2482 16 P 4.2613 0.0000 0.0000 62.4604 31.6718 175.6523 17 F 4.9946 8.2364 121.1888 54.6466 42.0441 173.1976 18 P 4.9949 0.0000 0.0000 63.2799 32.3190 176.2577 19 R 4.8259 9.3496 119.0053 54.6927 34.9156 174.5443 20 D 4.8871 8.8635 122.9060 54.6520 41.7890 176.0101 21 V 4.4482 10.0877 117.1537 60.1813 33.8350 175.3247 22 G 3.9453 8.1176 108.0463 46.5032 0.0000 171.6809 23 K 4.9097 8.2462 120.5222 54.9308 35.0946 175.8597 24 V 3.9658 9.3494 129.2656 61.9848 32.9287 174.8866 25 V 4.4756 8.1203 126.2679 61.0446 35.2714 173.2386 26 D 5.4605 8.6743 125.0859 52.5982 42.9347 177.2377 27 S 4.5325 9.7000 121.8165 61.0944 63.2545 174.7879 28 D 4.7606 8.5906 114.7230 52.8628 42.3705 175.7402 29 R 3.9987 9.5297 120.4805 55.7231 30.7410 174.3239 30 P 4.0950 0.0000 0.0000 62.4614 31.7834 177.1994 31 E 3.6039 8.8715 122.2103 59.1899 29.5289 178.4196 32 R 4.1614 7.7885 115.9297 57.7297 30.6950 176.9631 33 S 4.3620 8.4168 115.6777 58.6996 63.3423 174.0152 34 K 4.6921 9.1051 123.4417 54.7572 35.4878 175.2558 35 F 5.0548 10.1265 122.1719 56.6834 41.0912 175.2534 36 R 4.9332 9.3496 121.6340 54.7254 32.6023 175.0424 37 L 5.4694 8.4339 123.0236 53.8079 45.1778 175.2408 38 T 4.6766 9.4773 114.7830 60.6690 73.1503 171.8837 39 G 4.6943 9.1990 107.3161 43.6725 0.0000 173.1899 40 K 4.6245 8.1419 117.9498 59.1376 31.5965 176.7423 41 G 4.7868 9.2211 114.3196 44.3792 0.0000 174.6277 42 V 4.2724 9.1361 116.8803 62.2121 32.1259 175.7492 43 D 4.5878 9.2888 120.1359 54.6323 42.8101 174.7122 44 Q 4.8157 7.5717 117.4008 54.2882 31.4622 174.7750 45 E 4.5355 8.7983 121.6993 56.2802 30.9622 174.5730 46 P 4.7221 0.0000 0.0000 62.7897 32.5245 175.8974 47 K 4.7096 8.8289 123.7669 56.1005 33.3951 176.5056 48 G 3.8733 9.4646 110.2102 47.1798 0.0000 175.0963 49 I 4.1626 7.5343 120.0843 61.3861 39.3932 176.2361 50 F 5.3142 9.0380 121.1492 55.5058 42.1504 174.9628 51 R 4.7130 9.3546 118.4716 54.7389 32.7222 173.9349 52 I 4.7090 8.4055 122.7538 59.6539 40.1275 174.7391 53 N 4.5513 9.6273 127.9771 53.0555 38.1873 175.1772 54 E 4.5251 9.0196 127.0017 58.9067 30.0058 179.5404 55 N 4.9000 8.4695 114.3090 55.4666 39.3964 176.4176 56 T 4.0833 9.6034 108.0112 62.2153 69.3757 176.0191 57 G 4.2253 9.1803 110.2831 46.1879 0.0000 172.7582 58 S 4.8573 8.4283 117.6585 58.4657 63.3491 173.6087 59 V 4.4469 9.1223 126.9182 62.2836 32.5235 174.9305 60 S 4.9972 9.5011 123.0555 56.6825 66.4054 173.4342 61 V 4.4316 9.2645 122.5976 60.8345 33.4377 176.3430 62 T 4.6021 8.2312 112.1656 62.3953 70.6394 174.0135 63 R 4.4487 6.3930 116.5584 55.8117 30.8905 173.2992 64 T 4.6191 8.0729 112.6199 61.5907 69.6957 174.0329 65 L 4.8612 8.1273 120.9769 53.4894 46.5838 174.9506 66 D 5.1622 8.3720 116.5054 53.1110 44.4699 176.0579 67 R 4.4710 10.0090 125.3856 57.4647 30.4014 176.9382 68 E 4.2710 9.1616 116.5547 58.3283 30.2327 178.1211 69 V 3.7929 8.0421 117.9484 65.1249 31.9902 176.0373 70 I 4.3774 7.3213 118.1654 59.7524 41.2010 175.5824 71 A 4.2898 8.4553 126.1943 53.4775 20.3747 177.2276 72 V 4.6000 7.1574 114.1773 60.3924 34.2093 175.0506 73 Y 4.1365 9.3749 125.1702 57.5160 38.7399 175.2602 74 Q 4.6264 8.7112 125.1428 54.8008 28.7430 175.7813 75 L 4.7526 8.9155 125.4043 53.7927 44.4185 175.6081 76 F 5.0236 9.6565 118.5206 56.0527 42.8524 174.5915 77 V 5.0822 9.2226 123.2095 61.4184 34.5655 174.1538 78 E 5.1157 9.0697 123.9625 55.1131 34.4171 174.4547 79 T 4.3197 8.4569 120.1732 62.8695 70.0788 174.0393 80 T 5.0399 8.9142 116.3590 60.0308 72.0299 173.0842 81 D 4.8562 8.9783 123.5545 52.8961 43.0788 177.5917 82 V 3.6537 8.3923 113.9159 63.7402 31.1994 176.9999 83 N 4.4024 8.8114 118.1739 53.7820 38.9245 176.4395 84 G 3.9680 9.2080 105.9839 46.0235 0.0000 174.0639 85 K 4.1114 7.3937 120.4945 56.2605 32.8676 175.7052 86 T 4.7702 8.2452 121.0985 62.7331 69.0695 174.7885 87 L 4.3082 8.7620 127.4866 55.7265 42.7915 176.0464 88 E 4.5719 7.4741 117.3591 55.0171 33.0361 175.0312 89 G 4.3359 8.6762 110.0788 43.5284 0.0000 171.0185 90 P 4.6967 0.0000 0.0000 63.1478 31.6585 176.6079 91 V 4.6365 9.4424 118.1352 59.0995 34.6416 173.0804 92 P 4.6006 0.0000 0.0000 61.6881 33.3194 174.8766 93 L 4.5711 8.6063 123.0540 53.5650 45.8307 174.4385 94 E 4.9030 8.6902 125.0681 54.5017 32.5723 174.8069 95 V 4.5162 8.8166 124.9080 61.3296 33.5393 174.3300 96 I 4.6513 8.9071 129.9861 60.2173 39.2732 175.8299 97 V 4.7463 8.4831 127.3150 61.8818 31.0599 175.6160 98 I 4.2352 9.0273 122.7375 60.3519 39.9152 174.6993 99 D 5.1606 8.4526 122.4774 52.9273 43.7996 175.9779 100 Q 4.4045 8.0756 115.9724 55.1432 30.1037 174.7409 101 N 4.1977 9.3252 124.2171 55.5888 37.4064 174.5240 102 D 4.3383 8.1037 113.2615 55.2383 38.2064 173.5179 103 N 4.4819 8.4514 117.0867 56.1572 39.4968 176.7103 104 R 4.6603 9.6367 118.1605 54.0056 32.7663 173.3284 105 P 4.9404 0.0000 0.0000 62.2476 30.9364 177.0855 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 S 8.09 4.67 0.00 3.94 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 2 I 8.43 4.34 1.94 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.16 0.89 0.00 0.00 3 V 9.13 4.53 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 0.93 0.00 0.00 0.90 0.00 0.00 4 V 8.09 4.79 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 0.66 0.00 0.00 0.84 0.00 0.00 5 S 8.28 4.59 0.00 3.78 3.71 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 0.00 0.00 0.00 0.00 6 P 0.00 4.34 0.00 1.88 1.96 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 7 I 9.06 4.24 1.71 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.89 0.89 0.00 0.00 8 L 8.55 4.94 0.00 1.48 1.62 0.86 0.84 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 9 I 8.88 4.72 1.97 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 1.31 0.85 1.03 0.00 0.00 10 P 0.00 4.92 0.00 2.12 2.09 0.00 3.84 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 2.06 2.01 0.00 11 E 9.19 4.39 0.00 2.19 2.25 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 2.43 2.49 0.00 12 N 9.83 4.34 0.00 2.96 3.12 0.00 0.00 7.56 6.18 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 13 Q 8.30 4.06 0.00 2.56 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.47 0.00 0.00 0.00 0.00 0.00 2.65 2.50 0.00 14 R 8.24 5.10 0.00 1.77 1.94 0.00 3.46 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 1.57 1.88 0.00 15 Q 8.43 3.76 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 16 P 0.00 4.26 0.00 2.08 2.03 0.00 3.22 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 1.88 2.01 0.00 17 F 8.24 4.99 0.00 2.98 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 18 P 0.00 4.99 0.00 1.99 2.09 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 19 R 9.35 4.83 0.00 2.15 1.92 0.00 2.97 0.00 0.00 3.03 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 20 D 8.86 4.89 0.00 2.72 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 21 V 10.09 4.45 2.12 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 0.98 0.00 0.00 1.04 0.00 0.00 22 G 8.12 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 0.00 0.00 0.00 23 K 8.25 4.91 0.00 1.67 1.58 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.38 7.81 24 V 9.35 3.97 1.61 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 0.57 0.00 0.00 0.79 0.00 0.00 25 V 8.12 4.48 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 0.98 0.00 0.00 0.90 0.00 0.00 26 D 8.67 5.46 0.00 3.24 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 0.00 0.00 0.00 0.00 27 S 9.70 4.53 0.00 3.85 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 28 D 8.59 4.76 0.00 2.74 2.76 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 29 R 9.53 4.00 0.00 1.86 1.85 0.00 3.26 0.00 0.00 3.59 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 30 P 0.00 4.09 0.00 2.12 1.97 0.00 3.57 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 2.08 2.14 0.00 31 E 8.87 3.60 0.00 1.95 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 2.33 2.35 0.00 32 R 7.79 4.16 0.00 1.76 1.96 0.00 3.20 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 33 S 8.42 4.36 0.00 3.34 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 34 K 9.11 4.69 0.00 1.57 1.73 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.51 7.81 35 F 10.13 5.05 0.00 3.06 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 36 R 9.35 4.93 0.00 1.76 1.88 0.00 3.24 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 37 L 8.43 5.47 0.00 1.65 1.55 0.98 0.99 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 38 T 9.48 4.68 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 1.27 0.00 0.00 39 G 9.20 4.69 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 0.00 0.00 0.00 40 K 8.14 4.62 0.00 1.88 2.01 0.00 1.83 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.65 7.81 41 G 9.22 4.79 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 0.00 0.00 0.00 42 V 9.14 4.27 2.27 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 1.17 0.00 0.00 1.17 0.00 0.00 43 D 9.29 4.59 0.00 2.71 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 44 Q 7.57 4.82 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 45 E 8.80 4.54 0.00 2.00 1.92 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 2.42 2.41 0.00 46 P 0.00 4.72 0.00 2.17 2.27 0.00 3.88 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 47 K 8.83 4.71 0.00 1.68 1.78 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.55 7.81 48 G 9.46 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 0.00 0.00 0.00 49 I 7.53 4.16 1.47 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 1.36 1.98 -0.09 0.00 0.00 50 F 9.04 5.31 0.00 2.85 2.86 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 51 R 9.35 4.71 0.00 1.79 1.97 0.00 2.75 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 52 I 8.41 4.71 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.83 1.01 0.00 0.00 53 N 9.63 4.55 0.00 2.76 2.84 0.00 0.00 7.33 7.56 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 54 E 9.02 4.53 0.00 2.11 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 0.00 2.47 2.38 0.00 55 N 8.47 4.90 0.00 2.86 2.90 0.00 0.00 6.94 7.56 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 56 T 9.60 4.08 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 1.29 0.00 0.00 57 G 9.18 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.86 0.00 3.76 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 V 9.12 4.45 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 0.99 0.00 0.00 0.89 0.00 0.00 60 S 9.50 5.00 0.00 3.88 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 61 V 9.26 4.43 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 0.60 0.00 0.00 0.16 0.00 0.00 62 T 8.23 4.60 4.11 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 1.12 0.00 0.00 63 R 6.39 4.45 0.00 1.83 1.80 0.00 2.88 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.44 0.00 64 T 8.07 4.62 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 1.22 0.00 0.00 65 L 8.13 4.86 0.00 1.65 1.66 1.03 0.27 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 66 D 8.37 5.16 0.00 2.67 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 10.01 4.47 0.00 1.90 1.94 0.00 3.15 0.00 0.00 3.08 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 68 E 9.16 4.27 0.00 2.07 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 2.31 2.52 0.00 69 V 8.04 3.79 2.27 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 0.94 0.00 0.00 1.05 0.00 0.00 70 I 7.32 4.38 1.19 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 1.05 0.36 -0.31 0.00 0.00 71 A 8.46 4.29 1.22 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 0.00 0.00 72 V 7.16 4.60 2.01 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 0.63 0.00 0.00 0.86 0.00 0.00 73 Y 9.37 4.14 0.00 2.68 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 74 Q 8.71 4.63 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 7.06 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 75 L 8.92 4.75 0.00 1.49 1.67 1.10 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 76 F 9.66 5.02 0.00 3.00 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 77 V 9.22 5.08 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 1.00 0.00 0.00 0.93 0.00 0.00 78 E 9.07 5.12 0.00 1.97 1.94 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 2.32 2.36 0.00 79 T 8.46 4.32 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 0.53 0.00 0.00 80 T 8.91 5.04 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 1.23 0.00 0.00 81 D 8.98 4.86 0.00 2.65 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.39 3.65 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 0.84 0.00 0.00 0.92 0.00 0.00 83 N 8.81 4.40 0.00 2.90 2.77 0.00 0.00 6.99 8.62 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 84 G 9.21 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 85 K 7.39 4.11 0.00 1.78 1.66 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.54 7.81 86 T 8.25 4.77 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 1.33 0.00 0.00 87 L 8.76 4.31 0.00 1.56 1.69 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.47 4.57 0.00 2.00 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 2.31 2.38 0.00 89 G 8.68 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 0.00 0.00 0.00 0.00 90 P 0.00 4.70 0.00 2.22 2.26 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 91 V 9.44 4.64 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 1.04 0.00 0.00 92 P 0.00 4.60 0.00 1.81 1.73 0.00 3.69 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 1.87 1.97 0.00 93 L 8.61 4.57 0.00 1.56 1.32 0.79 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.69 4.90 0.00 1.84 1.73 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 2.18 2.12 0.00 95 V 8.82 4.52 1.70 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 0.42 0.00 0.00 0.30 0.00 0.00 96 I 8.91 4.65 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.33 0.95 0.00 0.00 97 V 8.48 4.75 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 1.00 0.00 0.00 1.18 0.00 0.00 98 I 9.03 4.24 1.89 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 1.42 1.05 0.92 0.00 0.00 99 D 8.45 5.16 0.00 2.71 2.71 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 0.00 0.00 0.00 0.00 100 Q 8.08 4.40 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.32 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 101 N 9.33 4.20 0.00 2.82 2.88 0.00 0.00 7.38 8.48 0.00 0.00 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 D 8.10 4.34 0.00 2.83 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 0.00 103 N 8.45 4.48 0.00 2.86 3.15 0.00 0.00 7.59 7.46 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 0.00 104 R 9.64 4.66 0.00 2.03 1.82 0.00 3.25 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 105 P 0.00 4.94 0.00 2.17 2.21 0.00 3.41 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00