NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 Q 4.2116 8.3401 121.7111 55.8065 31.0858 175.6078 0 A 4.0217 7.7931 120.0260 49.8138 18.9861 175.4615 1 M 4.1413 8.7615 120.5019 54.8902 32.8911 174.7733 2 A 4.1628 8.4287 124.7984 52.1635 19.3062 176.6851 3 I 4.4936 8.0943 122.0121 59.4653 39.5855 175.5978 4 T 4.2793 8.4084 115.5360 61.0137 69.8685 174.1686 5 Q 4.6069 8.1925 123.1839 53.4520 31.1648 175.3368 6 K 3.8633 8.4377 120.9918 56.5237 32.6222 176.6221 7 R 3.9398 8.4239 126.3284 55.3933 30.7969 174.3317 8 P 4.2632 0.0000 0.0000 62.9498 32.2024 177.1034 9 V 3.5916 8.7714 122.1874 66.5594 31.2999 177.8897 10 Y 4.2395 8.0801 116.6739 60.0571 37.7145 178.0745 11 L 3.7947 7.2511 120.4258 56.9241 41.6994 179.2376 12 Q 3.9289 7.7255 117.9628 58.7306 28.7174 178.1984 13 L 4.0059 8.0128 121.4885 57.9565 42.1251 178.9217 14 V 3.6065 7.8509 118.2258 66.2869 31.4799 177.4615 15 D 4.3644 8.2119 118.4291 57.4736 40.7457 178.9636 16 R 3.8769 8.3476 119.1992 59.6840 30.1393 178.6754 17 I 3.7227 7.8483 119.3973 64.2995 37.1942 178.4845 18 K 4.0142 8.5828 120.6571 59.0528 31.8332 178.3862 19 N 4.3469 8.2235 117.7623 56.5446 38.8845 176.7849 20 E 4.0326 8.2288 121.2022 58.5142 29.3305 179.5278 21 V 3.7671 8.1685 119.7827 65.5089 31.4995 177.7094 22 A 4.0280 7.7300 119.6948 54.7181 18.3461 178.6609 23 T 4.4588 8.1348 106.9609 60.8807 69.2998 174.4482 24 D 4.3439 8.1187 118.5076 55.8975 39.2436 175.4277 25 V 3.7834 7.4282 119.0829 64.5204 31.9068 176.1155 26 L 4.6978 8.1847 120.6012 52.8833 43.5393 175.7356 27 S 4.7520 9.2456 119.7820 56.2482 64.7230 173.4999 28 A 4.6627 8.3452 124.2412 53.7530 18.2834 177.6103 29 N 4.4405 9.1076 118.1772 53.7971 37.2122 174.5182 30 D 4.7030 8.2793 119.2715 54.2689 42.4024 175.1862 31 Q 3.8864 8.4749 122.5899 55.2500 29.5633 175.0817 32 L 4.2905 8.1875 129.6789 53.6087 43.0828 174.7422 33 P 4.5613 0.0000 0.0000 62.1580 32.1787 176.8415 34 S 4.4680 9.4886 115.4857 57.9753 64.8976 175.3202 35 V 2.9664 8.2726 122.1786 66.2152 31.0675 178.2444 36 R 3.8026 7.8225 117.5410 59.4069 29.9975 178.1474 37 E 3.8978 8.2760 118.2982 59.7905 29.5421 179.2883 38 T 3.8507 8.1202 115.7219 66.6718 68.5286 176.1808 39 A 4.1186 8.0220 123.9454 54.4815 18.3721 179.4303 40 L 3.7921 7.9266 118.5297 58.2485 42.0546 178.4830 41 Q 3.9205 8.0641 118.8295 59.3513 29.0852 178.3580 42 E 4.4049 8.4793 115.9860 54.8785 29.9347 176.0737 43 K 3.8827 7.6642 117.2005 57.4148 30.4266 174.8533 44 I 4.4372 7.2757 117.2219 59.3041 39.5636 174.9946 45 N 4.5549 8.4589 120.9377 52.9195 39.9450 173.6891 46 P 4.1395 0.0000 0.0000 66.0742 31.5227 178.1366 47 N 4.2419 8.1174 114.2805 56.6323 38.5032 177.3483 48 T 3.8119 7.8072 116.4024 66.6110 68.6011 176.4149 49 V 3.4918 8.0979 120.2382 66.1790 31.4427 177.9040 50 A 3.8671 8.4935 120.5589 54.9198 18.0779 179.6169 51 K 3.7086 8.4034 117.1338 59.4894 32.0901 179.2731 52 A 4.2447 8.6359 121.0621 55.6391 18.3361 179.0602 53 Y 4.1412 8.8802 115.5853 61.2193 37.8768 179.0114 54 K 3.9207 8.5958 120.7183 59.6457 32.3626 178.4096 55 E 3.9911 8.4940 119.6303 59.1755 29.4857 178.6635 56 L 3.9870 8.4503 119.4585 57.7992 41.7558 179.1014 57 E 4.1290 8.6825 120.4111 58.8585 29.4130 178.5882 58 A 4.2299 8.1389 119.6800 55.0521 18.4518 178.7107 59 Q 4.1702 8.0690 113.7731 55.0793 30.0446 175.5427 60 K 3.8979 8.2814 118.7895 58.0872 29.7887 176.0805 61 V 4.4623 8.1537 111.8423 61.2088 34.4740 176.9496 62 I 5.1994 7.4931 112.8949 59.2271 41.7147 174.0743 63 R 4.7613 9.1564 117.3159 55.3076 32.7737 174.0191 64 T 5.0529 8.0594 111.4350 60.5115 71.0298 174.0472 65 I 4.4899 9.1921 125.4795 58.7317 39.9478 173.4473 66 P 4.3481 0.0000 0.0000 64.5350 31.4439 176.7245 67 G 4.0603 9.2015 112.0957 45.0079 0.0000 173.3884 68 K 4.4344 9.5985 118.7063 57.2668 34.3037 176.3685 69 G 3.7515 7.2768 105.2341 45.7132 0.0000 170.5768 70 T 5.1572 7.7304 117.0077 62.0547 71.5175 173.8325 71 F 5.1762 9.4235 122.6577 55.5921 44.1450 174.0952 72 I 4.2713 9.1891 123.2398 61.2880 38.1783 175.7969 73 T 4.1169 8.4289 121.9664 62.4346 68.2741 174.2568 74 G 3.8945 8.6951 111.8199 46.2645 0.0000 174.5688 75 N 4.6879 7.6671 120.2401 52.0983 37.1095 175.7088 76 T 3.9305 7.6948 115.0780 64.8718 68.0576 174.5361 77 A 4.1305 7.9685 121.6294 54.0662 18.1982 178.8315 78 S 4.2396 7.6411 110.9324 60.3997 62.7091 176.1470 79 V 3.6173 7.6876 120.5700 66.0351 31.2470 177.9231 80 K 3.9532 7.7936 117.9589 59.4707 31.1218 178.4594 81 N 4.5759 7.8022 113.9061 54.2926 38.7298 176.6470 82 S 4.4596 7.7935 114.6830 59.7349 62.6534 175.5174 83 N 4.2615 7.8271 119.7174 56.9444 38.8692 177.0321 84 Q 3.9827 8.8183 119.7106 58.7111 28.8173 178.2560 85 N 4.4962 7.6631 114.2081 55.3808 38.6280 177.5496 86 R 3.8861 7.8029 120.2469 59.2630 30.1381 178.4552 87 L 3.9706 8.1273 118.9959 57.9663 41.5631 179.6285 88 L 3.9753 8.0896 118.3871 57.3386 41.4081 179.6431 89 A 3.9946 7.8146 120.8341 55.3752 18.4130 179.4019 90 D 4.3324 8.3860 117.7808 57.1929 40.7086 178.8761 91 L 3.9125 8.1604 121.3223 58.2399 42.1221 179.2444 92 S 4.0985 7.7922 114.3651 61.4562 62.7962 176.1208 93 Q 3.9617 8.1443 123.4799 58.7545 28.6989 178.7468 94 V 3.5942 7.7886 120.1769 64.9968 31.6366 178.3606 95 I 3.6474 8.0623 121.0507 64.3689 37.0001 177.3733 96 A 3.9200 8.4901 121.4277 55.8938 17.8583 179.1118 97 E 3.9691 8.6915 118.9956 58.5085 30.2028 179.5276 98 L 4.1342 8.2128 119.9836 57.8699 41.6936 179.4382 99 I 4.3423 7.7412 114.0123 63.0506 37.2366 177.5916 100 K 4.2074 7.8038 119.9145 58.0942 32.2705 176.9661 101 S 4.7173 7.8137 115.0460 57.8683 64.5538 174.6248 102 G 4.2545 7.8730 104.2672 43.0559 0.0000 174.4907 103 V 3.5661 8.1609 119.1903 62.7507 32.6293 175.3398 104 K 4.1794 8.8568 126.5388 57.0401 33.9808 178.0369 105 G 3.5805 8.5669 109.1459 47.9487 0.0000 175.7144 106 E 4.0845 8.1446 120.7122 58.0864 29.7028 178.2315 107 R 4.1465 7.8472 118.1799 58.7404 30.4116 177.6755 108 I 3.6965 7.7445 119.7944 64.6075 37.1123 178.3274 109 K 3.9555 7.9554 118.5198 59.4513 31.8982 179.5612 110 K 3.9866 7.6471 117.3595 59.4124 31.8705 179.3678 111 I 3.6591 8.2044 120.4807 64.4937 37.1315 178.4187 112 V 3.6027 8.0585 119.1228 66.3993 31.2694 177.9195 113 N 4.3855 8.3986 116.0615 56.1995 38.4765 177.2103 114 D 4.3144 8.1788 120.2799 57.4447 40.8621 178.6066 115 I 3.7003 8.0333 120.6540 64.7496 37.1069 178.5449 116 L 4.1931 8.1521 119.4113 57.3941 41.5327 179.7276 117 G 3.7263 8.3232 106.1180 47.3837 0.0000 175.8157 118 G 3.6341 7.6599 107.0994 47.8280 0.0000 175.4529 119 K 4.6014 7.8561 122.6926 58.1547 31.9268 178.6123 120 N 4.2468 8.2392 116.2617 57.1018 38.8822 176.3957 121 A 4.1148 7.6584 119.6665 54.9005 18.8315 177.1197 122 E 4.0769 7.9677 121.6166 57.0339 29.6461 176.8627 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 Q 8.34 4.21 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 0 A 7.79 4.02 1.27 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 1 M 8.76 4.14 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 2 A 8.43 4.16 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 3 I 8.09 4.49 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.98 0.91 0.00 0.00 4 T 8.41 4.28 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 1.21 0.00 0.00 5 Q 8.19 4.61 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 6 K 8.44 3.86 0.00 1.70 1.73 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 R 8.42 3.94 0.00 1.77 1.78 0.00 3.26 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 8 P 0.00 4.26 0.00 1.88 2.06 0.00 3.54 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 9 V 8.77 3.59 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 1.12 0.00 0.00 0.95 0.00 0.00 10 Y 8.08 4.24 0.00 3.36 3.21 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 0.00 11 L 7.25 3.79 0.00 1.50 1.47 0.66 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.73 3.93 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 13 L 8.01 4.01 0.00 1.82 1.91 0.98 0.88 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 14 V 7.85 3.61 2.22 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 0.94 0.00 0.00 1.12 0.00 0.00 15 D 8.21 4.36 0.00 2.88 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 16 R 8.35 3.88 0.00 1.97 2.17 0.00 3.14 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 17 I 7.85 3.72 1.88 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 1.42 0.78 0.86 0.00 0.00 18 K 8.58 4.01 0.00 1.89 1.97 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 19 N 8.22 4.35 0.00 2.98 2.94 0.00 0.00 7.05 7.26 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 20 E 8.23 4.03 0.00 2.22 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 2.33 2.38 0.00 21 V 8.17 3.77 2.23 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 1.21 0.00 0.00 0.96 0.00 0.00 22 A 7.73 4.03 1.38 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 0.00 0.00 0.00 23 T 8.13 4.46 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 1.30 0.00 0.00 24 D 8.12 4.34 0.00 2.77 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 25 V 7.43 3.78 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 0.76 0.00 0.00 0.93 0.00 0.00 26 L 8.18 4.70 0.00 1.69 1.53 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.25 4.75 0.00 4.08 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 4.66 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 29 N 9.11 4.44 0.00 2.89 2.94 0.00 0.00 7.05 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 30 D 8.28 4.70 0.00 2.78 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 31 Q 8.47 3.89 0.00 1.89 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.95 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 32 L 8.19 4.29 0.00 1.43 1.38 0.83 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.56 0.00 2.14 2.07 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 34 S 9.49 4.47 0.00 4.00 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 35 V 8.27 2.97 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 0.89 0.00 0.00 0.51 0.00 0.00 36 R 7.82 3.80 0.00 1.87 1.87 0.00 3.22 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 37 E 8.28 3.90 0.00 2.20 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 2.32 2.34 0.00 38 T 8.12 3.85 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 1.24 0.00 0.00 39 A 8.02 4.12 1.38 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 0.00 0.00 0.00 40 L 7.93 3.79 0.00 1.95 1.76 0.91 0.65 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 41 Q 8.06 3.92 0.00 2.24 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 42 E 8.48 4.40 0.00 1.96 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 2.47 2.50 0.00 43 K 7.66 3.88 0.00 1.86 1.85 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.38 7.81 44 I 7.28 4.44 1.86 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 1.47 0.92 0.00 0.00 45 N 8.46 4.55 0.00 2.83 2.69 0.00 0.00 6.91 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 46 P 0.00 4.14 0.00 2.14 2.06 0.00 3.63 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 47 N 8.12 4.24 0.00 2.69 2.82 0.00 0.00 7.09 7.05 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 48 T 7.81 3.81 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 1.33 0.00 0.00 49 V 8.10 3.49 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 0.60 0.00 0.00 0.90 0.00 0.00 50 A 8.49 3.87 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 51 K 8.40 3.71 0.00 1.74 1.27 0.00 0.95 0.00 0.00 1.34 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.18 1.46 7.81 52 A 8.64 4.24 1.65 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 0.00 0.00 53 Y 8.88 4.14 0.00 3.05 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 K 8.60 3.92 0.00 1.87 2.06 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 55 E 8.49 3.99 0.00 2.28 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 2.48 2.49 0.00 56 L 8.45 3.99 0.00 1.90 1.65 0.92 0.89 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 57 E 8.68 4.13 0.00 2.11 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 0.00 2.32 2.36 0.00 58 A 8.14 4.23 1.42 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 0.00 0.00 59 Q 8.07 4.17 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 60 K 8.28 3.90 0.00 1.86 1.89 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.40 7.81 61 V 8.15 4.46 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 0.81 0.00 0.00 0.91 0.00 0.00 62 I 7.49 5.20 1.86 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.87 0.78 0.00 0.00 63 R 9.16 4.76 0.00 1.84 2.03 0.00 2.76 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 64 T 8.06 5.05 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 1.35 0.00 0.00 65 I 9.19 4.49 2.01 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.73 0.86 0.00 0.00 66 P 0.00 4.35 0.00 2.05 2.05 0.00 3.70 0.00 0.00 3.83 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 67 G 9.20 4.06 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 0.00 68 K 9.60 4.43 0.00 1.78 2.03 0.00 1.88 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.63 1.45 7.81 69 G 7.28 3.75 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 0.00 0.00 0.00 70 T 7.73 5.16 4.13 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 1.05 0.00 0.00 71 F 9.42 5.18 0.00 2.84 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 72 I 9.19 4.27 2.12 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 1.23 0.95 0.95 0.00 0.00 73 T 8.43 4.12 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 1.29 0.00 0.00 74 G 8.70 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 0.00 0.00 0.00 75 N 7.67 4.69 0.00 2.77 2.78 0.00 0.00 6.46 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 76 T 7.69 3.93 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 1.21 0.00 0.00 77 A 7.97 4.13 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.64 4.24 0.00 4.01 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 79 V 7.69 3.62 2.21 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 1.02 0.00 0.00 0.93 0.00 0.00 80 K 7.79 3.95 0.00 1.79 1.84 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.62 7.81 81 N 7.80 4.58 0.00 2.95 2.84 0.00 0.00 6.64 7.45 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 82 S 7.79 4.46 0.00 3.87 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 83 N 7.83 4.26 0.00 3.00 2.98 0.00 0.00 7.04 8.32 0.00 0.00 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 Q 8.82 3.98 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 85 N 7.66 4.50 0.00 2.74 2.85 0.00 0.00 6.50 7.54 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 86 R 7.80 3.89 0.00 1.98 2.11 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 87 L 8.13 3.97 0.00 1.98 1.70 0.98 0.88 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 88 L 8.09 3.98 0.00 1.88 1.72 0.93 0.64 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 89 A 7.81 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 90 D 8.39 4.33 0.00 2.82 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 91 L 8.16 3.91 0.00 1.82 1.84 0.92 0.91 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 92 S 7.79 4.10 0.00 4.04 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 0.00 93 Q 8.14 3.96 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 94 V 7.79 3.59 2.22 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 0.91 0.00 0.00 0.93 0.00 0.00 95 I 8.06 3.65 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 0.91 0.00 0.00 96 A 8.49 3.92 1.33 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 0.00 0.00 97 E 8.69 3.97 0.00 2.05 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 2.32 2.35 0.00 98 L 8.21 4.13 0.00 1.97 1.69 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.74 4.34 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.27 1.00 0.00 0.00 100 K 7.80 4.21 0.00 1.81 1.97 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 101 S 7.81 4.72 0.00 3.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.87 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 0.00 0.00 0.00 0.00 103 V 8.16 3.57 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 0.95 0.00 0.00 0.98 0.00 0.00 104 K 8.86 4.18 0.00 1.83 1.74 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.54 7.81 105 G 8.57 3.58 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 0.00 106 E 8.14 4.08 0.00 2.05 1.95 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 2.37 2.36 0.00 107 R 7.85 4.15 0.00 1.91 1.89 0.00 3.26 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 108 I 7.74 3.70 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.70 0.91 0.00 0.00 109 K 7.96 3.96 0.00 2.03 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.67 7.81 110 K 7.65 3.99 0.00 1.99 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.62 7.81 111 I 8.20 3.66 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.82 0.91 0.00 0.00 112 V 8.06 3.60 2.16 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 1.03 0.00 0.00 0.96 0.00 0.00 113 N 8.40 4.39 0.00 3.04 2.85 0.00 0.00 7.03 7.63 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 0.00 114 D 8.18 4.31 0.00 2.87 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 0.00 115 I 8.03 3.70 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.91 0.00 0.00 116 L 8.15 4.19 0.00 1.70 1.71 0.92 0.67 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 0.00 117 G 8.32 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 0.00 118 G 7.66 3.63 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 0.00 0.00 0.00 119 K 7.86 4.60 0.00 1.74 1.88 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.46 7.81 120 N 8.24 4.25 0.00 2.77 3.07 0.00 0.00 7.24 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 0.00 121 A 7.66 4.11 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 122 E 7.97 4.08 0.00 2.15 1.88 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 2.33 2.45 0.00