NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3767 8.3044 120.3300 55.0629 33.5669 175.7812 2 V 3.8935 7.8097 120.2952 62.0551 30.8566 171.9499 3 Y 4.5085 8.5101 128.5965 56.1523 40.8541 173.0771 4 Q 4.5358 7.9807 128.4549 55.3233 29.7947 175.7565 5 V 3.8719 8.0893 120.6001 61.5251 31.7521 176.5913 6 K 4.1748 8.7904 123.3583 58.1559 33.0772 176.5320 7 D 4.4913 7.4263 116.7972 51.2185 42.9070 176.0356 8 K 3.8949 8.5110 119.3236 59.8529 32.0270 178.3038 9 A 4.0511 8.0476 120.4380 55.0768 18.4812 178.9582 10 D 4.3272 8.6880 116.9864 57.2924 41.1957 178.2714 11 L 4.0390 8.0793 121.0742 58.0677 41.9825 178.4978 12 D 4.4959 8.3599 119.0949 57.4213 40.9042 179.0822 13 G 3.6136 8.1380 106.1708 47.8991 0.0000 175.5801 14 Q 4.0001 7.9862 121.6993 58.7540 28.8373 178.1298 15 L 4.0609 8.0843 120.0066 57.8588 41.3829 179.2395 16 T 4.0827 7.7776 109.9906 64.7221 68.6426 177.0646 17 K 4.0280 7.8564 119.8046 58.9031 32.2645 178.8539 18 A 3.9978 7.9217 121.3646 52.9027 18.4334 178.2813 19 S 3.6065 8.1303 110.0126 60.0051 61.9685 172.3527 20 G 4.2819 8.7764 107.0139 45.4970 0.0000 173.0712 21 K 4.3439 7.6662 119.4271 55.5123 33.3261 176.6035 22 L 4.3150 8.4561 125.0582 55.1700 43.3188 175.6245 23 V 4.7597 9.1884 126.8220 61.2229 33.8989 174.2674 24 V 4.2575 8.6784 128.5535 61.2215 33.4704 174.2705 25 L 4.6123 8.5940 129.7428 53.4973 43.3133 175.6352 26 D 4.4817 8.9493 125.9868 52.6115 41.8828 174.7806 27 F 4.7882 8.7379 126.2334 56.8410 40.1361 174.9763 28 F 5.1411 8.9231 118.2061 55.3309 42.0043 172.9923 29 A 4.3999 8.0083 118.8640 50.0073 21.9792 177.4819 30 T 3.8779 8.0021 108.9476 64.2789 68.9825 175.6626 31 W 4.4749 7.4650 116.3293 56.6085 28.2495 176.7451 32 C 4.7516 7.6183 120.7316 55.0995 44.8370 174.1259 33 G 3.6293 8.5794 115.7049 47.6380 0.0000 172.5569 34 P 4.3379 0.0000 0.0000 65.1157 30.9533 179.4417 35 C 4.3731 8.1151 115.3092 59.8176 39.9537 175.9151 36 K 3.9111 7.6047 118.8929 59.2125 31.7464 178.6601 37 M 4.1406 8.0366 118.1066 58.6105 32.4675 177.6502 38 I 4.0368 7.7558 117.4450 62.8379 38.2501 177.6078 39 S 4.0541 7.5940 115.2675 61.5662 62.8336 174.7630 40 P 4.2484 0.0000 0.0000 65.5369 31.0168 178.6479 41 K 3.9606 7.9455 117.9497 59.2570 32.2517 178.2901 42 L 3.9393 7.9420 120.7428 58.3561 41.9109 179.2864 43 V 3.6773 7.7569 119.2923 65.5803 31.5258 177.9460 44 E 4.0208 8.1511 118.0692 59.2853 29.1636 179.3533 45 L 4.1784 8.2348 119.5922 57.4894 41.1903 179.5909 46 S 4.2024 8.0975 114.4903 61.7339 62.8476 176.6709 47 T 3.8423 7.8929 119.5955 66.2953 68.0142 176.2111 48 Q 3.7978 7.8075 119.8434 58.4077 29.2976 178.1370 49 F 4.9879 8.1376 117.9983 56.9614 40.3335 177.8500 50 A 4.1551 7.6647 124.5830 55.5126 18.6427 180.1028 51 D 4.4968 8.3343 114.7174 57.6130 41.2671 177.0460 52 N 4.8861 8.1977 113.7622 53.2824 40.1512 174.6409 53 V 4.9288 8.0256 118.6066 60.9118 34.9647 174.6543 54 V 4.3763 8.9204 127.2502 61.1357 33.6645 174.0993 55 V 4.7002 8.4313 127.9688 61.3357 33.4869 174.1040 56 L 5.0714 8.9516 128.1471 52.8889 45.1256 175.5166 57 K 4.8740 8.6366 121.7495 54.6289 35.1301 175.5794 58 V 4.2471 8.6717 123.9494 60.8719 34.3743 174.2505 59 D 3.7912 8.2499 129.1791 53.2527 40.9361 176.7349 60 V 3.5469 8.0894 121.5585 64.7557 32.2107 179.0022 61 D 4.4407 8.0127 119.3094 57.3894 40.7566 177.6528 62 E 4.1777 7.9635 116.3886 58.1793 30.7536 176.6171 63 C 4.9042 8.0695 115.6578 57.2602 28.7219 174.2788 64 E 4.2081 8.4266 124.0702 58.8986 29.6858 178.9433 65 D 4.4304 8.0854 118.5308 56.5177 39.4096 178.6662 66 I 3.9520 7.7905 120.5390 64.1033 37.2579 177.9303 67 A 4.0182 8.0493 121.2573 55.3436 18.2852 179.4153 68 M 3.9478 8.2236 116.7806 58.6888 32.1113 178.0312 69 E 3.9305 7.9196 118.2279 59.1790 29.9062 177.4960 70 Y 4.1961 8.0922 113.5249 56.3038 39.4196 175.1270 71 N 4.0199 7.4993 117.2738 54.4790 37.6128 173.7381 72 I 4.0852 7.8870 119.0672 60.3597 38.7643 176.3089 73 S 4.5218 8.5685 117.9764 59.4431 65.0094 174.7574 74 S 4.6482 7.8318 115.0257 57.3788 63.8588 173.2180 75 M 4.6402 8.3176 122.2096 52.8520 34.6811 174.0095 76 P 4.7016 0.0000 0.0000 62.6622 33.7634 174.8538 77 T 4.9107 8.2706 116.0745 61.6816 72.2679 173.2299 78 F 4.9241 8.9508 124.4913 55.6361 41.6819 174.4277 79 V 4.7498 8.3697 124.1372 61.0667 34.1865 174.1665 80 F 5.2240 9.5444 126.8651 55.7889 41.3502 174.5047 81 L 5.3519 9.0235 124.0169 52.8853 45.2579 176.0928 82 K 4.5057 9.0600 124.5540 55.7958 35.8086 175.4303 83 N 3.9433 9.5600 126.8692 54.7504 35.5323 175.9405 84 G 3.8709 8.5830 102.9760 45.6979 0.0000 173.7302 85 V 4.3988 7.3327 119.3009 60.5194 33.5989 175.8451 86 K 5.1455 8.5118 126.9757 56.1878 29.8943 176.6821 87 V 3.9083 8.3946 116.3173 64.1086 32.3898 175.6015 88 E 4.8200 8.1122 118.6777 55.4540 33.4051 173.4778 89 E 5.6110 9.0048 122.0478 55.4732 33.2209 174.3087 90 F 5.2303 8.9747 120.5577 55.7567 41.7889 173.2039 91 A 4.9768 9.0294 121.6785 51.5761 20.7906 177.6876 92 G 4.0093 9.3160 104.9780 45.7981 0.0000 174.1377 93 A 4.7913 8.1585 121.0550 50.8697 18.4896 177.9874 94 N 4.7064 7.8587 120.6209 51.7795 40.4391 174.2603 95 A 4.0494 8.4605 131.2053 54.8959 18.5771 179.1250 96 K 3.8342 8.0045 116.6065 59.7203 32.1958 179.1257 97 R 3.6745 8.2707 119.0056 59.4448 29.7560 178.2706 98 L 4.2293 7.7952 119.4937 58.0191 42.1166 178.5130 99 E 3.9355 8.1620 119.3015 59.4041 29.7709 178.4077 100 D 4.3167 8.3557 119.2954 57.5390 40.6893 179.1441 101 V 3.4352 7.7276 117.5399 65.7471 31.8357 177.8405 102 I 3.7925 7.6423 119.5989 64.4220 36.7521 178.5933 103 K 3.8281 7.7565 117.5382 58.9651 31.9345 178.3510 104 A 4.4212 7.5139 117.7555 52.4625 18.7527 177.1798 105 N 4.9500 7.7948 112.9866 52.4101 40.4871 174.6414 106 I 4.0477 7.7119 117.6783 60.9425 37.8448 175.3161 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 4.38 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 2 V 7.81 3.89 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 0.83 0.00 0.00 0.92 0.00 0.00 3 Y 8.51 4.51 0.00 3.03 2.82 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 4 Q 7.98 4.54 0.00 1.96 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.74 0.00 0.00 0.00 0.00 0.00 2.17 2.52 0.00 5 V 8.09 3.87 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 0.67 0.00 0.00 0.84 0.00 0.00 6 K 8.79 4.17 0.00 1.77 1.84 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.58 7.81 7 D 7.43 4.49 0.00 2.82 2.74 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 8 K 8.51 3.89 0.00 2.10 1.88 0.00 1.87 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.58 7.81 9 A 8.05 4.05 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 10 D 8.69 4.33 0.00 3.07 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 11 L 8.08 4.04 0.00 1.81 1.82 0.88 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.36 4.50 0.00 2.96 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 13 G 8.14 3.61 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 0.00 0.00 0.00 14 Q 7.99 4.00 0.00 2.46 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 15 L 8.08 4.06 0.00 1.82 1.75 1.03 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.78 4.08 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 1.29 0.00 0.00 17 K 7.86 4.03 0.00 1.90 1.88 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.56 7.81 18 A 7.92 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 3.61 0.00 4.05 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 20 G 8.78 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 0.00 0.00 0.00 0.00 21 K 7.67 4.34 0.00 1.81 1.89 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.51 7.81 22 L 8.46 4.32 0.00 1.84 1.56 1.15 0.77 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 23 V 9.19 4.76 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 0.93 0.00 0.00 0.94 0.00 0.00 24 V 8.68 4.26 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 0.74 0.00 0.00 0.91 0.00 0.00 25 L 8.59 4.61 0.00 1.37 0.98 0.47 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.95 4.48 0.00 2.81 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 27 F 8.74 4.79 0.00 2.90 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 28 F 8.92 5.14 0.00 2.89 3.07 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 0.00 0.00 0.00 29 A 8.01 4.40 -0.05 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 0.00 0.00 30 T 8.00 3.88 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 1.31 0.00 0.00 31 W 7.47 4.47 0.00 3.55 3.23 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 32 C 7.62 4.75 0.00 2.28 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 33 G 8.58 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 34 P 0.00 4.34 0.00 2.22 2.18 0.00 3.64 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 2.17 2.23 0.00 35 C 8.12 4.37 0.00 3.11 3.08 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 0.00 0.00 0.00 36 K 7.60 3.91 0.00 1.88 1.84 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.61 7.81 37 M 8.04 4.14 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.72 0.00 38 I 7.76 4.04 2.00 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 1.21 1.13 0.00 0.00 39 S 7.59 4.05 0.00 4.01 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 40 P 0.00 4.25 0.00 2.15 2.10 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 41 K 7.95 3.96 0.00 1.87 1.97 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.57 7.81 42 L 7.94 3.94 0.00 2.02 1.80 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.76 3.68 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 1.18 0.00 0.00 0.93 0.00 0.00 44 E 8.15 4.02 0.00 2.24 1.97 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 2.32 2.54 0.00 45 L 8.23 4.18 0.00 1.97 1.97 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.10 4.20 0.00 4.10 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 47 T 7.89 3.84 4.35 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 1.18 0.00 0.00 48 Q 7.81 3.80 0.00 1.96 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.44 0.00 0.00 0.00 0.00 0.00 1.16 1.97 0.00 49 F 8.14 4.99 0.00 3.30 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 50 A 7.66 4.16 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 51 D 8.33 4.50 0.00 2.73 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 52 N 8.20 4.89 0.00 2.80 2.87 0.00 0.00 6.42 7.68 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 53 V 8.03 4.93 2.30 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 0.77 0.00 0.00 0.87 0.00 0.00 54 V 8.92 4.38 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 0.94 0.00 0.00 55 V 8.43 4.70 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 0.95 0.00 0.00 0.96 0.00 0.00 56 L 8.95 5.07 0.00 1.53 1.42 0.99 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.64 4.87 0.00 1.62 1.78 0.00 1.33 0.00 0.00 0.99 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.19 1.19 7.81 58 V 8.67 4.25 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 0.76 0.00 0.00 0.33 0.00 0.00 59 D 8.25 3.79 0.00 2.21 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 0.00 0.00 0.00 0.00 60 V 8.09 3.55 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 0.86 0.00 0.00 0.89 0.00 0.00 61 D 8.01 4.44 0.00 2.73 2.75 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 62 E 7.96 4.18 0.00 1.84 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 2.24 2.21 0.00 63 C 8.07 4.90 0.00 2.87 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 64 E 8.43 4.21 0.00 2.02 2.03 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 2.59 2.34 0.00 65 D 8.09 4.43 0.00 2.89 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 66 I 7.79 3.95 2.09 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 1.57 0.62 1.12 0.00 0.00 67 A 8.05 4.02 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 68 M 8.22 3.95 0.00 2.13 2.24 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 2.60 2.54 0.00 69 E 7.92 3.93 0.00 2.16 2.33 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 1.93 2.22 0.00 70 Y 8.09 4.20 0.00 2.60 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 71 N 7.50 4.02 0.00 2.78 2.74 0.00 0.00 7.09 7.32 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 72 I 7.89 4.09 1.67 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 1.35 0.69 0.73 0.00 0.00 73 S 8.57 4.52 0.00 3.93 3.91 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 74 S 7.83 4.65 0.00 3.91 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 75 M 8.32 4.64 0.00 1.75 1.91 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 76 P 0.00 4.70 0.00 1.57 2.03 0.00 3.71 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 2.29 2.08 0.00 77 T 8.27 4.91 4.08 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 0.00 0.00 1.17 0.00 0.00 78 F 8.95 4.92 0.00 2.12 2.29 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 0.00 79 V 8.37 4.75 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 1.21 0.00 0.00 1.01 0.00 0.00 80 F 9.54 5.22 0.00 3.27 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 81 L 9.02 5.35 0.00 1.59 1.59 1.11 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 82 K 9.06 4.51 0.00 1.86 1.66 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.45 7.81 83 N 9.56 3.94 0.00 2.98 2.92 0.00 0.00 7.04 7.64 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 84 G 8.58 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 85 V 7.33 4.40 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 1.03 0.00 0.00 0.99 0.00 0.00 86 K 8.51 5.15 0.00 1.84 1.86 0.00 1.85 0.00 0.00 1.81 0.00 0.00 3.19 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.56 7.81 87 V 8.39 3.91 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 0.63 0.00 0.00 1.09 0.00 0.00 88 E 8.11 4.82 0.00 1.93 1.44 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 0.00 2.06 2.36 0.00 89 E 9.00 5.61 0.00 2.14 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 2.29 2.41 0.00 90 F 8.97 5.23 0.00 3.15 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 91 A 9.03 4.98 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 92 G 9.32 4.01 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 0.00 93 A 8.16 4.79 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.71 0.00 2.76 2.61 0.00 0.00 6.94 8.72 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 95 A 8.46 4.05 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 96 K 8.00 3.83 0.00 1.90 1.83 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.48 7.81 97 R 8.27 3.67 0.00 1.52 1.49 0.00 2.67 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 98 L 7.80 4.23 0.00 1.86 1.76 0.55 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.16 3.94 0.00 2.15 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 2.38 2.53 0.00 100 D 8.36 4.32 0.00 2.83 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 0.00 101 V 7.73 3.44 1.82 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 -0.28 0.00 0.00 0.82 0.00 0.00 102 I 7.64 3.79 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 1.52 0.99 0.13 0.00 0.00 103 K 7.76 3.83 0.00 1.83 1.86 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.22 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.56 1.54 7.81 104 A 7.51 4.42 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 0.00 105 N 7.79 4.95 0.00 2.73 2.78 0.00 0.00 6.78 6.93 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 0.00 106 I 7.71 4.05 1.85 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 1.27 0.64 0.82 0.00 0.00