NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4808 8.3049 120.3309 55.5082 33.1134 174.3993 2 M 4.4636 8.5645 123.6964 53.0050 34.3199 170.2545 3 V 4.3403 8.3159 122.1026 60.9596 34.1449 174.2237 4 W 4.6553 8.9270 135.0000 57.5164 31.2016 175.2555 5 T 4.2174 8.1957 123.9782 61.3219 66.9507 172.8170 6 P 4.4434 0.0000 0.0000 63.8982 32.1478 176.0156 7 V 3.9220 7.4433 119.7264 62.9870 32.4739 175.6275 8 N 4.2699 8.5696 125.4273 54.9918 35.8812 173.7667 9 N 4.7926 7.4785 108.5690 52.8873 40.3342 174.2411 10 K 4.0463 8.2890 115.7638 56.4363 32.7293 176.4675 11 M 4.7964 7.7918 120.2614 53.7893 35.6483 175.1940 12 F 4.8259 8.3304 117.0283 57.0645 41.1105 176.3808 13 E 3.5657 8.3109 121.3946 56.9381 27.5250 175.0315 14 T 3.8267 8.3351 121.4264 66.5603 68.8428 174.2412 15 F 4.5463 9.0097 124.4265 57.4886 36.6911 176.4002 16 S 4.4360 8.2804 114.8174 60.4177 62.9109 174.4694 17 Y 4.3624 8.2560 117.3441 58.0124 38.1808 175.1228 18 L 4.6617 7.5652 120.5004 52.1915 43.5598 174.5163 19 P 4.4298 0.0000 0.0000 61.9511 31.7685 174.9869 20 P 4.3172 0.0000 0.0000 62.9024 31.7845 176.3204 21 L 4.0804 8.3016 122.3802 54.5021 42.2753 177.9440 22 T 4.2179 8.1970 114.1089 61.1315 71.0267 175.1812 23 D 4.3578 8.5879 121.0426 57.7183 40.7530 178.8616 24 E 3.9176 8.0906 119.1247 59.3201 29.7212 178.7665 25 Q 3.8948 7.9558 118.1383 58.8588 28.7708 178.6663 26 I 3.7282 8.0866 120.9612 64.4293 37.2076 178.3086 27 A 4.0614 8.3391 121.5404 55.1460 18.1413 179.5589 28 A 3.9951 8.2481 119.3750 55.4069 18.4308 179.9074 29 Q 4.1047 8.1322 116.6369 59.1146 28.8045 179.1318 30 V 3.7624 8.1633 119.3589 66.1501 31.5965 177.7615 31 D 4.4278 8.3802 118.7092 57.4622 40.6285 178.1414 32 Y 4.1709 8.0999 120.0197 60.7496 38.9417 178.0771 33 I 3.8598 7.9833 120.6893 64.5860 37.3452 178.5795 34 V 3.5103 7.8541 118.4957 66.0375 31.1993 177.8543 35 A 3.9202 8.1783 119.4165 54.6396 18.2261 178.3314 36 N 4.0876 7.0921 111.7295 52.1849 38.6873 175.9356 37 G 3.7740 7.2242 108.2820 45.7908 0.0000 173.9637 38 W 4.9591 7.4400 118.7814 56.0120 30.7842 176.1558 39 I 4.3725 9.0598 123.0305 59.6237 37.7582 174.1214 40 P 4.8530 0.0000 0.0000 62.9118 32.7100 175.1674 41 C 5.0149 9.0475 121.9674 58.2962 35.5950 172.4279 42 L 5.3668 8.7341 123.4930 53.2280 44.5240 175.2252 43 E 5.6342 9.2166 120.9720 55.0291 34.2974 174.4440 44 F 5.5405 9.1443 116.1892 56.0773 42.0534 172.8822 45 A 4.2510 8.1819 119.0218 50.9410 22.1096 177.6256 46 E 3.8151 8.7925 120.3618 59.0731 29.8063 177.4200 47 H 5.1455 7.6163 112.5179 53.8148 32.4754 172.8999 48 S 4.6379 8.4819 115.5237 56.6604 63.8592 172.9297 49 N 5.0963 8.5310 125.2850 50.3722 41.2604 174.0084 50 P 4.1090 0.0000 0.0000 65.9047 31.2816 177.5260 51 E 3.7228 7.9755 116.6921 57.9066 29.6180 176.3134 52 E 4.4076 7.7121 118.8645 54.7427 29.5081 176.1960 53 F 4.0354 8.8804 123.3233 60.3146 39.2372 175.6153 54 Y 4.7292 7.8680 116.4554 56.5596 39.1089 175.0072 55 W 5.0493 8.5975 123.1904 55.3240 32.5656 174.8722 56 T 4.2441 8.1882 117.4541 62.9312 69.2016 174.6741 57 M 4.5289 8.5632 126.5636 55.2805 33.2120 175.2581 58 W 4.7872 9.4951 135.0000 56.2954 31.3016 176.9594 59 K 3.4926 8.5768 129.0688 57.5039 30.5973 178.4624 60 L 4.9388 8.3332 124.3203 52.6806 45.2143 174.0252 61 P 4.2659 0.0000 0.0000 63.4046 32.2383 177.5231 62 M 4.3101 8.5261 123.2658 53.7329 30.4447 175.7510 63 F 4.4936 7.3967 118.4625 58.8314 40.0103 176.6065 64 G 3.9884 9.1415 112.7018 45.5913 0.0000 172.9804 65 C 4.2966 7.9872 120.9787 59.5606 31.6946 173.2052 66 R 4.5312 8.6627 125.0798 55.6848 30.8963 174.9776 67 D 4.7867 7.8221 118.5856 51.2021 42.3567 174.2429 68 P 4.3447 0.0000 0.0000 66.3356 30.9909 178.1537 69 M 4.0774 8.2780 118.3415 58.1164 31.7998 178.4101 70 Q 3.9668 8.1526 119.4031 59.1266 29.2774 178.4914 71 V 3.6073 7.7674 118.7169 66.1232 31.7270 177.8036 72 L 4.0459 8.1305 118.7353 57.9335 41.4037 179.7916 73 R 3.9865 8.2871 118.1320 59.2438 29.9698 178.9901 74 E 4.1050 8.3246 118.5604 59.1653 29.3867 179.1238 75 I 3.5136 7.7989 120.0460 64.4662 37.1467 178.4579 76 V 3.4653 7.6452 118.3163 65.9434 31.3601 177.8753 77 A 3.9187 8.0348 120.4721 55.1685 18.2484 179.1192 78 C 2.0000 7.7287 117.6455 62.0966 31.3598 176.0469 79 T 3.7821 7.6454 111.2556 64.3066 68.0397 176.4738 80 K 3.8176 7.8498 122.0609 59.3314 32.3130 178.4402 81 A 3.9945 7.5597 119.9281 53.4931 19.7428 177.6394 82 F 4.6579 7.6991 115.7751 55.0799 39.2498 173.7482 83 P 4.5695 0.0000 0.0000 63.9235 31.8781 177.7498 84 D 4.6451 7.9745 116.7557 53.9593 41.6554 175.7572 85 A 4.5599 7.3724 121.2040 50.8265 20.5667 177.0796 86 Y 4.2661 8.5767 118.0061 58.0387 39.3342 175.4735 87 V 5.2756 9.1160 123.2447 61.2130 35.3354 174.1783 88 R 5.0681 9.5678 124.0357 54.2709 32.9990 173.9369 89 L 4.7809 8.0330 123.6238 54.1621 43.6590 175.7767 90 V 4.8633 8.6513 118.3501 59.5751 36.5280 174.1288 91 A 4.9118 8.0579 121.4492 50.6917 22.8878 175.2488 92 F 5.2846 9.2349 119.9541 55.7300 42.6596 174.2245 93 D 5.3742 8.8256 122.7514 52.6729 42.1875 176.7006 94 N 4.6816 9.1441 123.5813 54.6681 38.2883 176.5525 95 Q 4.1401 8.7125 118.8076 59.0281 28.8807 177.4535 96 K 4.0948 8.3167 113.6330 56.4178 33.0434 176.4874 97 Q 3.3731 8.0029 118.2626 55.8070 27.0107 172.6322 98 V 4.4507 7.7617 117.1972 60.1163 34.9693 173.8929 99 Q 4.4621 8.7460 123.4288 56.4988 29.3464 175.4614 100 I 4.2376 8.2425 125.0323 61.2450 39.9035 174.4713 101 M 4.7094 6.8812 117.6039 53.9575 34.7331 173.7939 102 G 4.9941 8.2556 108.6653 47.1710 0.0000 172.2177 103 F 5.0584 7.1370 116.9387 55.3247 41.1219 173.2504 104 L 4.7397 8.9051 120.7798 55.5002 41.6839 177.3712 105 V 4.5376 9.1135 115.3212 61.3429 33.6127 175.5852 106 Q 4.5828 7.8183 120.8000 54.9759 32.2770 173.0523 107 R 4.4751 8.1996 123.6981 53.1173 33.9594 173.8798 108 P 4.2695 0.0000 0.0000 62.6069 31.9024 178.2017 109 K 4.1582 8.4274 121.0988 59.4138 32.2505 178.4930 110 T 3.9953 7.7636 106.5163 62.6083 69.0603 174.1750 111 A 4.2989 7.4583 125.9203 52.1810 18.7236 177.3853 112 R 4.3929 8.5174 119.3620 55.8880 30.2346 175.6006 113 D 4.7762 8.2860 116.3757 53.7688 39.9441 175.3184 114 F 5.4450 7.3049 113.0256 54.1956 41.0720 173.8372 115 Q 4.5543 8.4468 120.1939 53.0910 30.8019 174.2343 116 P 4.4366 0.0000 0.0000 62.5864 32.3308 176.8633 117 A 3.9604 8.9277 123.4562 55.6682 18.1611 179.0509 118 N 4.7618 8.1018 109.0858 53.5793 37.7770 175.4368 119 K 4.4518 7.9122 117.4132 56.4688 32.8646 177.3411 120 R 3.6357 7.4599 119.2938 57.6715 30.2042 176.5309 121 S 5.0987 7.4770 110.3803 56.3829 66.1809 174.2498 122 V 4.0019 8.5808 114.4734 61.7508 32.1765 175.6461 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 4.48 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.56 4.46 0.00 2.04 2.07 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 2.57 2.64 0.00 3 V 8.32 4.34 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 1.11 0.00 0.00 0.97 0.00 0.00 4 W 8.93 4.66 0.00 3.46 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 5 T 8.20 4.22 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 0.97 0.00 0.00 6 P 0.00 4.44 0.00 2.24 2.20 0.00 3.79 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 1.99 1.97 0.00 7 V 7.44 3.92 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 0.77 0.00 0.00 0.91 0.00 0.00 8 N 8.57 4.27 0.00 2.85 2.85 0.00 0.00 6.52 6.92 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 9 N 7.48 4.79 0.00 2.66 2.69 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.29 4.05 0.00 1.85 1.39 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.83 7.81 11 M 7.79 4.80 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 12 F 8.33 4.83 0.00 3.04 3.06 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 13 E 8.31 3.57 0.00 2.13 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 14 T 8.34 3.83 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 0.14 0.00 0.00 15 F 9.01 4.55 0.00 3.28 3.17 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 0.00 16 S 8.28 4.44 0.00 4.07 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 17 Y 8.26 4.36 0.00 3.03 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 18 L 7.57 4.66 0.00 1.85 1.61 0.90 1.15 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 19 P 0.00 4.43 0.00 2.03 2.00 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 20 P 0.00 4.32 0.00 2.05 2.02 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 21 L 8.30 4.08 0.00 1.62 1.50 0.53 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.20 4.22 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 1.18 0.00 0.00 23 D 8.59 4.36 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.09 3.92 0.00 2.02 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 2.36 2.39 0.00 25 Q 7.96 3.89 0.00 2.29 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 26 I 8.09 3.73 2.06 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 1.69 1.03 1.10 0.00 0.00 27 A 8.34 4.06 1.41 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 28 A 8.25 4.00 1.34 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 29 Q 8.13 4.10 0.00 2.52 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.36 1.86 0.00 30 V 8.16 3.76 2.31 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 1.15 0.00 0.00 1.07 0.00 0.00 31 D 8.38 4.43 0.00 3.00 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 32 Y 8.10 4.17 0.00 3.22 3.34 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 33 I 7.98 3.86 2.17 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.44 1.05 0.00 0.00 34 V 7.85 3.51 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 1.02 0.00 0.00 0.96 0.00 0.00 35 A 8.18 3.92 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 36 N 7.09 4.09 0.00 1.44 1.42 0.00 0.00 7.05 8.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.22 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 0.00 0.00 0.00 38 W 7.44 4.96 0.00 3.38 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 39 I 9.06 4.37 2.14 0.00 0.00 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 1.47 0.93 0.82 0.00 0.00 40 P 0.00 4.85 0.00 2.09 1.99 0.00 3.79 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 2.14 2.13 0.00 41 C 9.05 5.01 0.00 2.97 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 42 L 8.73 5.37 0.00 1.88 1.63 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.22 5.63 0.00 2.12 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 0.00 2.39 2.34 0.00 44 F 9.14 5.54 0.00 3.06 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 45 A 8.18 4.25 -0.01 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 0.00 0.00 46 E 8.79 3.82 0.00 1.77 1.56 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 2.27 2.31 0.00 47 H 7.62 5.15 0.00 3.06 3.19 0.00 5.83 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 48 S 8.48 4.64 0.00 3.14 3.18 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 49 N 8.53 5.10 0.00 2.76 2.83 0.00 0.00 6.81 8.03 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 50 P 0.00 4.11 0.00 2.07 2.10 0.00 3.73 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 1.93 1.94 0.00 51 E 7.98 3.72 0.00 1.90 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 2.28 2.32 0.00 52 E 7.71 4.41 0.00 2.15 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 2.34 2.47 0.00 53 F 8.88 4.04 0.00 2.68 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 54 Y 7.87 4.73 0.00 3.09 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 55 W 8.60 5.05 0.00 3.13 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 56 T 8.19 4.24 2.93 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 0.00 0.00 0.00 0.98 0.00 0.00 57 M 8.56 4.53 0.00 2.09 2.05 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 2.72 2.77 0.00 58 W 9.50 4.79 0.00 3.70 3.32 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 59 K 8.58 3.49 0.00 1.72 0.74 0.00 1.74 0.00 0.00 1.55 0.00 0.00 2.71 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.80 0.21 7.81 60 L 8.33 4.94 0.00 1.61 1.59 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.27 0.00 0.69 1.88 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.21 0.00 62 M 8.53 4.31 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 63 F 7.40 4.49 0.00 3.11 2.99 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 64 G 9.14 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 0.00 0.00 0.00 65 C 7.99 4.30 0.00 3.02 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 66 R 8.66 4.53 0.00 1.81 1.87 0.00 3.20 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 67 D 7.82 4.79 0.00 2.64 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 68 P 0.00 4.34 0.00 2.33 2.34 0.00 3.77 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 2.10 2.09 0.00 69 M 8.28 4.08 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 70 Q 8.15 3.97 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 71 V 7.77 3.61 2.26 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 1.05 0.00 0.00 0.97 0.00 0.00 72 L 8.13 4.05 0.00 1.88 1.72 0.95 0.84 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 73 R 8.29 3.99 0.00 2.04 2.01 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 74 E 8.32 4.11 0.00 2.24 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 2.60 2.65 0.00 75 I 7.80 3.51 2.02 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 1.36 0.69 0.87 0.00 0.00 76 V 7.65 3.47 2.20 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 1.05 0.00 0.00 0.94 0.00 0.00 77 A 8.03 3.92 1.54 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 0.00 0.00 78 C 7.73 2.00 0.00 1.23 2.36 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 79 T 7.65 3.78 4.32 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 1.15 0.00 0.00 80 K 7.85 3.82 0.00 1.80 1.95 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.39 7.81 81 A 7.56 3.99 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 82 F 7.70 4.66 0.00 2.81 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 83 P 0.00 4.57 0.00 2.12 2.10 0.00 3.24 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 84 D 7.97 4.65 0.00 2.66 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 85 A 7.37 4.56 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 86 Y 8.58 4.27 0.00 2.41 2.77 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 87 V 9.12 5.28 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 0.98 0.00 0.00 0.89 0.00 0.00 88 R 9.57 5.07 0.00 1.85 2.03 0.00 2.40 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.45 0.00 89 L 8.03 4.78 0.00 1.52 0.70 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.65 4.86 1.74 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 0.52 0.00 0.00 0.47 0.00 0.00 91 A 8.06 4.91 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 92 F 9.23 5.28 0.00 2.98 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 93 D 8.83 5.37 0.00 2.37 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 94 N 9.14 4.68 0.00 2.93 3.05 0.00 0.00 6.34 7.39 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 95 Q 8.71 4.14 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 96 K 8.32 4.09 0.00 1.75 1.85 0.00 1.93 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.44 7.81 97 Q 8.00 3.37 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 98 V 7.76 4.45 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 0.47 0.00 0.00 0.92 0.00 0.00 99 Q 8.75 4.46 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.11 0.00 100 I 8.24 4.24 1.25 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.40 -0.67 0.00 0.00 101 M 6.88 4.71 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 102 G 8.26 4.99 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 0.00 0.00 0.00 103 F 7.14 5.06 0.00 3.24 3.18 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 0.00 104 L 8.91 4.74 0.00 1.68 1.75 1.23 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 105 V 9.11 4.54 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 0.70 0.00 0.00 0.95 0.00 0.00 106 Q 7.82 4.58 0.00 2.05 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 107 R 8.20 4.48 0.00 1.47 1.34 0.00 2.56 0.00 0.00 2.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.37 0.00 108 P 0.00 4.27 0.00 2.00 1.89 0.00 2.59 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 109 K 8.43 4.16 0.00 1.71 1.85 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.33 7.81 110 T 7.76 4.00 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 1.20 0.00 0.00 111 A 7.46 4.30 1.57 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 0.00 0.00 112 R 8.52 4.39 0.00 1.76 1.85 0.00 3.36 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 113 D 8.29 4.78 0.00 2.99 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 0.00 114 F 7.30 5.45 0.00 3.33 3.32 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 0.00 115 Q 8.45 4.55 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.22 0.00 116 P 0.00 4.44 0.00 2.21 2.20 0.00 3.63 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 2.03 1.93 0.00 117 A 8.93 3.96 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 0.00 118 N 8.10 4.76 0.00 2.84 2.94 0.00 0.00 5.86 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 0.00 119 K 7.91 4.45 0.00 1.80 1.74 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.32 1.46 7.81 120 R 7.46 3.64 0.00 1.61 0.66 0.00 3.05 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.51 0.00 121 S 7.48 5.10 0.00 4.05 3.96 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 0.00 0.00 0.00 122 V 8.58 4.00 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 0.63 0.00 0.00 0.92 0.00 0.00