NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3884 8.2601 123.5847 52.1025 21.1111 177.6514 2 A 4.1663 9.3822 125.5348 49.8880 17.4595 180.0381 3 S 4.6986 9.0017 110.4137 56.7199 67.1087 173.7572 4 C 4.3687 8.4674 121.5249 56.7187 40.5593 173.9116 5 T 4.2815 8.2179 117.5808 60.8435 70.8802 175.2933 6 T 3.8042 8.3466 118.1333 67.0178 68.4754 176.2508 7 E 3.9504 8.2424 119.6870 59.7182 29.3976 179.0307 8 D 4.3307 8.0773 118.4562 57.6494 40.9525 179.0674 9 R 3.7584 8.2561 118.7195 59.2578 30.0407 179.0183 10 R 3.8606 8.0074 118.2570 59.4907 30.0405 178.2689 11 E 3.9283 8.1379 118.1936 59.6598 29.5773 178.6341 12 M 4.0981 8.7748 118.8283 59.3186 32.1513 178.1923 13 Q 4.1196 8.7001 117.9632 59.0628 28.7727 179.3237 14 L 4.0566 8.0083 119.7002 58.2107 41.1732 178.9916 15 M 4.1207 8.3671 118.7763 58.5863 32.1124 178.8812 16 W 4.4783 8.6923 128.0489 60.7345 30.8947 178.2355 17 G 3.9156 8.4061 104.4783 48.2471 0.0000 174.8597 18 N 4.5857 8.4041 117.8635 55.8144 38.7327 177.1395 19 V 3.9133 7.0613 111.8022 60.7285 32.4475 176.4508 20 W 3.8167 7.3108 129.1211 56.9579 31.0362 175.1868 21 S 4.3594 7.1243 119.2831 56.2023 62.5010 173.6307 22 A 4.3236 8.5491 131.4476 54.1759 18.5333 177.6872 23 Q 4.2830 7.9262 112.6500 56.0284 30.3944 175.4572 24 F 4.7955 7.3828 114.4974 54.9910 43.0857 175.3833 25 T 4.1979 8.5520 112.1664 63.4929 69.0365 176.1838 26 G 3.6423 8.4101 106.3310 49.3693 0.0000 175.0957 27 R 3.8605 7.8724 117.7696 58.7501 30.5963 178.7553 28 R 3.7752 7.8285 116.8776 59.7370 29.9580 178.6824 29 I 3.6969 8.0472 118.7392 64.4361 37.2833 178.3542 30 A 3.9505 8.0312 121.4056 55.2734 18.2041 179.8722 31 I 3.5435 8.1282 118.3426 64.3241 37.1842 178.2642 32 A 3.8405 8.4482 121.9393 55.4443 18.1093 179.7213 33 Q 4.0479 8.3516 116.2419 59.1761 28.6944 178.7325 34 A 3.8131 7.7819 121.5065 55.3660 18.2263 179.7309 35 V 3.1171 7.4685 116.5355 65.8908 31.5732 178.0757 36 F 3.7539 7.7795 117.3867 60.3799 38.6505 177.5470 37 K 3.8771 8.6642 119.5462 59.7566 31.5543 178.3020 38 D 4.2728 7.6912 118.0904 56.9077 41.1042 177.8996 39 L 3.9659 8.0042 121.3332 58.3795 41.9976 179.0522 40 F 4.6353 8.2211 116.2289 60.4516 38.8144 177.2566 41 A 4.2436 7.5875 120.0790 54.7762 18.4782 178.6731 42 N 4.8492 7.9548 111.9989 53.4314 40.0606 176.0382 43 V 4.3373 7.8465 120.3601 59.3502 31.9196 173.3224 44 P 4.0854 0.0000 0.0000 66.4077 31.2769 178.1096 45 D 4.4872 8.0308 115.8789 53.4927 39.9186 178.0952 46 A 4.1284 8.3331 123.7659 55.7145 18.5541 179.7926 47 V 2.9475 7.2199 115.8459 66.0546 31.0762 178.2007 48 G 3.7006 7.4629 102.5855 46.9031 0.0000 174.9898 49 L 4.0964 8.2042 120.7158 56.2789 42.0465 177.6042 50 F 4.8481 7.9509 117.5025 57.2492 40.3803 178.5906 51 G 3.5519 8.0624 107.2955 47.9774 0.0000 175.4411 52 A 4.1834 8.0713 121.5036 53.7748 18.4051 178.0575 53 V 4.3666 7.4685 109.9777 61.7519 33.0346 175.8396 54 K 3.7353 8.1059 115.2289 57.6833 29.7417 176.5746 55 G 3.0762 8.1569 104.7044 46.9011 0.0000 173.5860 56 D 4.2734 7.5102 119.7715 56.7461 41.3817 177.5086 57 E 4.3589 7.5219 120.9049 54.3433 27.9902 176.9166 58 V 3.4324 7.8240 115.3596 63.6013 32.0994 176.6709 59 N 4.8374 8.0214 116.2181 53.2335 39.1636 175.3086 60 S 4.4497 8.6046 113.6628 58.4415 65.1675 174.7580 61 N 4.3383 8.7335 121.2571 56.6350 38.2668 177.1961 62 E 4.0088 8.3539 119.4710 59.7937 29.5771 179.2928 63 F 4.3744 8.2600 119.8285 60.9421 39.4501 177.2942 64 K 3.8067 8.5313 118.3861 59.6463 31.9080 178.7939 65 A 4.0413 8.3397 121.1533 55.5938 18.1070 179.1165 66 H 4.0510 7.8970 116.2302 59.6160 29.9852 176.9059 67 C 3.9316 8.1413 118.7135 63.1284 27.9682 176.0901 68 I 3.7211 8.0473 121.3515 64.9036 36.7178 178.5952 69 R 3.9853 8.1112 118.4967 59.1607 29.7906 179.3606 70 V 3.6460 8.1317 118.4313 66.1099 31.7002 178.0347 71 V 3.9650 8.4180 118.4210 66.2679 31.2486 177.4361 72 N 4.6951 8.7831 116.8358 56.7957 38.8997 176.7896 73 G 3.7645 8.2837 107.2075 48.0550 0.0000 175.2792 74 L 3.7267 8.1640 123.1294 57.4615 41.9191 178.5081 75 D 4.0400 8.1400 118.0640 57.2747 41.1502 178.0472 76 S 4.0518 8.2189 116.2593 61.7657 62.6705 177.0690 77 S 3.8929 7.5086 114.7860 61.5153 63.1819 175.8612 78 I 3.6300 7.5625 124.7415 63.9004 36.4808 178.7140 79 G 3.5563 8.0628 106.2035 47.4011 0.0000 174.8396 80 L 4.2025 7.7169 120.9805 56.2557 41.9466 178.4176 81 L 4.0947 7.3739 117.7916 58.1706 41.5795 178.6386 82 S 4.4320 7.4445 112.1014 59.2039 64.4452 174.0723 83 D 4.7171 8.1869 121.5623 50.3012 41.3436 173.1805 84 P 4.1257 0.0000 0.0000 65.4507 31.3213 177.3448 85 A 3.9445 8.0449 118.7148 55.9454 18.1412 179.7253 86 T 3.6852 7.7204 112.3132 66.0761 68.4735 176.9892 87 L 3.8424 7.9590 122.6645 58.2469 42.0900 178.5063 88 N 4.2103 8.4663 116.6769 56.5884 38.5426 177.1187 89 E 3.9183 7.6264 119.1125 59.4135 29.6220 179.1003 90 Q 3.9327 8.1345 119.5383 59.3991 29.1120 178.5122 91 L 3.9532 8.5837 120.3836 57.7305 41.5849 179.4200 92 S 4.0855 8.1794 113.2239 61.4467 62.2560 175.7659 93 H 4.0907 8.1965 120.8650 59.3806 29.7132 177.1298 94 L 4.0293 8.0429 120.5305 57.7252 41.3238 179.3421 95 A 4.6976 8.1994 122.2986 55.1526 18.2936 179.7028 96 T 3.7881 7.9342 114.0076 67.0793 68.3427 176.8773 97 Q 4.0750 8.0950 118.3641 58.7710 28.9456 177.8571 98 H 4.6394 8.0466 116.2029 57.4480 29.1619 177.5768 99 K 4.0659 8.1655 119.7897 59.0996 31.9339 178.4750 100 A 4.3909 7.7607 118.6737 52.2400 18.4960 177.1271 101 R 4.4175 7.5548 117.7929 53.8859 31.3411 175.8239 102 S 4.2061 8.4765 120.4063 58.9561 63.2964 173.9552 103 G 3.8568 8.9652 113.9492 45.9168 0.0000 173.9625 104 V 3.8509 7.4726 120.0612 62.7957 30.9690 175.1752 105 T 4.7173 8.2130 117.6138 59.5185 71.4202 175.5171 106 K 4.0272 8.8496 123.5131 59.8436 32.0382 179.1832 107 G 3.9233 8.5786 105.7698 46.9609 0.0000 176.0167 108 G 3.7586 8.4278 108.7704 47.8027 0.0000 175.9312 109 F 4.0058 8.6021 119.8969 60.5246 38.8832 177.2524 110 S 4.1812 8.0402 110.7494 61.6993 62.2558 176.1209 111 A 4.1958 7.8656 123.2819 55.1263 18.4205 179.1931 112 I 3.6170 8.1016 116.7215 64.2827 37.8831 177.9114 113 A 3.7159 8.5457 121.9096 55.1471 18.0372 179.4972 114 Q 3.9772 7.9118 115.2313 59.3169 29.1142 178.8510 115 S 4.3274 8.0440 116.7600 61.0463 62.8157 176.3624 116 F 3.6972 8.3078 120.1038 60.9627 38.5653 178.0196 117 L 3.9558 7.7855 116.5725 57.7556 41.3998 179.4164 118 R 4.0768 8.1025 117.5418 58.3415 30.4524 178.7861 119 V 3.5809 7.2904 117.5802 65.9405 31.7228 177.4854 120 M 3.4392 7.6977 119.0242 57.9488 31.4874 177.1248 121 P 3.5911 0.0000 0.0000 65.8689 31.0684 177.7991 122 Q 4.0603 8.0721 117.8276 57.8315 28.7612 177.0649 123 V 3.9461 7.2985 117.1939 62.8386 32.9082 176.5246 124 A 4.3123 8.1856 122.6456 51.7001 19.9874 179.1291 125 S 4.8642 8.0627 122.1217 58.3427 61.6445 178.8966 126 C 4.4841 8.8014 126.5975 60.4161 25.5257 171.8685 127 F 4.5102 8.3434 125.4500 57.7343 40.1068 175.4713 128 N 4.5991 7.5226 125.3729 50.1025 39.1562 172.8663 129 P 3.9385 0.0000 0.0000 65.8981 31.2560 177.5551 130 D 4.3182 8.1450 118.2315 56.8181 40.7679 178.4108 131 A 3.9548 8.2587 120.6870 55.0781 18.4852 179.1212 132 W 4.1081 8.0496 126.6461 60.8642 30.6558 177.7271 133 S 4.1972 8.8706 112.9799 61.6865 61.7047 175.9484 134 R 3.9034 8.1174 120.5928 60.0580 29.9935 178.4264 135 C 4.2040 8.1022 115.6087 59.4494 39.7169 176.0166 136 F 3.3378 8.1767 122.8891 61.2237 38.9804 177.0074 137 N 4.3672 8.6434 116.4262 56.0942 37.7748 177.4382 138 R 3.7894 7.4998 120.4951 59.4374 30.1612 178.6838 139 I 3.5048 7.3217 119.4615 64.4485 36.8874 178.3381 140 T 3.6211 7.8039 116.8153 66.9858 68.1055 176.5197 141 T 3.8717 8.0657 117.0585 66.7859 68.6102 176.3056 142 G 3.5934 7.3191 105.1499 48.1494 0.0000 175.3925 143 M 4.2188 7.8401 121.5553 56.7818 32.9573 176.3612 144 T 4.5005 7.2930 113.9002 60.6339 64.6208 173.4399 145 E 4.0675 7.7868 124.6457 57.8737 30.5788 176.5416 146 P 4.5839 0.0000 0.0000 62.7152 32.4789 175.8675 147 L 4.1029 7.8230 118.8005 54.5233 43.6866 174.2677 148 P 4.2428 0.0000 0.0000 64.0457 30.4086 176.3196 149 A 4.1383 9.1483 133.2357 53.8125 19.0004 177.4565 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 A 8.26 4.39 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 2 A 9.38 4.17 1.09 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 0.00 0.00 3 S 9.00 4.70 0.00 3.91 3.78 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 4 C 8.47 4.37 0.00 3.01 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 5 T 8.22 4.28 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 1.30 0.00 0.00 6 T 8.35 3.80 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 1.19 0.00 0.00 7 E 8.24 3.95 0.00 2.04 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 0.00 2.40 2.48 0.00 8 D 8.08 4.33 0.00 2.93 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 9 R 8.26 3.76 0.00 2.00 1.94 0.00 3.29 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 10 R 8.01 3.86 0.00 1.94 2.15 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 11 E 8.14 3.93 0.00 2.26 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 2.35 2.47 0.00 12 M 8.77 4.10 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 13 Q 8.70 4.12 0.00 2.42 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.61 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 14 L 8.01 4.06 0.00 1.97 1.80 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 15 M 8.37 4.12 0.00 2.51 2.73 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 2.92 2.80 0.00 16 W 8.69 4.48 0.00 3.69 3.20 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 17 G 8.41 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.40 4.59 0.00 2.77 2.93 0.00 0.00 7.01 7.99 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 19 V 7.06 3.91 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 0.72 0.00 0.00 0.77 0.00 0.00 20 W 7.31 3.82 0.00 2.96 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 21 S 7.12 4.36 0.00 3.61 3.48 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 22 A 8.55 4.32 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.93 4.28 0.00 2.14 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 24 F 7.38 4.80 0.00 2.97 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 25 T 8.55 4.20 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 26 G 8.41 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 0.00 0.00 0.00 27 R 7.87 3.86 0.00 1.69 1.85 0.00 3.13 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 28 R 7.83 3.78 0.00 1.89 1.90 0.00 2.92 0.00 0.00 2.95 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.35 0.00 29 I 8.05 3.70 1.97 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 1.44 0.77 0.92 0.00 0.00 30 A 8.03 3.95 1.31 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 0.00 0.00 0.00 31 I 8.13 3.54 1.99 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.63 0.92 0.00 0.00 32 A 8.45 3.84 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 33 Q 8.35 4.05 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 34 A 7.78 3.81 1.28 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 35 V 7.47 3.12 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 0.11 0.00 0.00 -0.12 0.00 0.00 36 F 7.78 3.75 0.00 2.97 2.34 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 37 K 8.66 3.88 0.00 1.90 1.78 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.49 7.81 38 D 7.69 4.27 0.00 2.67 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 39 L 8.00 3.97 0.00 1.66 1.60 1.05 1.09 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 40 F 8.22 4.64 0.00 2.99 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 41 A 7.59 4.24 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 42 N 7.95 4.85 0.00 2.75 2.91 0.00 0.00 6.74 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 43 V 7.85 4.34 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 1.15 0.00 0.00 1.02 0.00 0.00 44 P 0.00 4.09 0.00 2.26 2.28 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 45 D 8.03 4.49 0.00 2.93 2.96 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 46 A 8.33 4.13 1.72 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 0.00 0.00 47 V 7.22 2.95 1.76 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 0.34 0.00 0.00 0.40 0.00 0.00 48 G 7.46 3.70 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 0.00 0.00 0.00 49 L 8.20 4.10 0.00 1.10 1.21 0.99 0.67 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 50 F 7.95 4.85 0.00 3.06 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 51 G 8.06 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 4.18 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 53 V 7.47 4.37 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 0.87 0.00 0.00 1.11 0.00 0.00 54 K 8.11 3.74 0.00 1.98 1.76 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.39 7.81 55 G 8.16 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 0.00 0.00 0.00 56 D 7.51 4.27 0.00 2.59 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 57 E 7.52 4.36 0.00 2.00 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 2.32 2.27 0.00 58 V 7.82 3.43 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 0.60 0.00 0.00 0.97 0.00 0.00 59 N 8.02 4.84 0.00 2.68 2.83 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 60 S 8.60 4.45 0.00 4.10 4.05 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 61 N 8.73 4.34 0.00 2.82 2.95 0.00 0.00 6.94 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 62 E 8.35 4.01 0.00 2.13 2.11 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 2.45 2.50 0.00 63 F 8.26 4.37 0.00 3.38 3.09 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 64 K 8.53 3.81 0.00 2.01 1.87 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.69 7.81 65 A 8.34 4.04 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 66 H 7.90 4.05 0.00 3.31 3.13 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 C 8.14 3.93 0.00 3.04 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 68 I 8.05 3.72 2.11 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.87 0.96 0.00 0.00 69 R 8.11 3.99 0.00 2.07 2.04 0.00 3.19 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 70 V 8.13 3.65 2.35 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 1.24 0.00 0.00 1.03 0.00 0.00 71 V 8.42 3.96 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 1.52 0.00 0.00 1.16 0.00 0.00 72 N 8.78 4.70 0.00 3.15 3.17 0.00 0.00 7.10 7.88 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 73 G 8.28 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 74 L 8.16 3.73 0.00 1.64 1.73 0.27 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.14 4.04 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 76 S 8.22 4.05 0.00 4.08 3.86 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 77 S 7.51 3.89 0.00 3.80 3.80 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 78 I 7.56 3.63 1.42 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.59 0.73 0.00 0.00 79 G 8.06 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 0.00 0.00 0.00 80 L 7.72 4.20 0.00 1.99 1.56 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.37 4.09 0.00 1.70 1.63 0.73 0.66 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 82 S 7.44 4.43 0.00 3.85 3.88 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 0.00 0.00 0.00 83 D 8.19 4.72 0.00 2.56 2.43 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 84 P 0.00 4.13 0.00 2.15 2.07 0.00 3.64 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 2.08 2.27 0.00 85 A 8.04 3.94 1.29 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 0.00 0.00 86 T 7.72 3.69 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 1.17 0.00 0.00 87 L 7.96 3.84 0.00 1.88 1.70 0.83 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.47 4.21 0.00 2.92 2.83 0.00 0.00 7.10 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 89 E 7.63 3.92 0.00 2.03 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 2.30 2.44 0.00 90 Q 8.13 3.93 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 91 L 8.58 3.95 0.00 1.61 1.60 0.78 0.79 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 92 S 8.18 4.09 0.00 3.94 4.05 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 93 H 8.20 4.09 0.00 3.29 3.46 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.04 4.03 0.00 1.91 1.72 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.20 4.70 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 96 T 7.93 3.79 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 1.18 0.00 0.00 97 Q 8.09 4.07 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 98 H 8.05 4.64 0.00 3.44 3.51 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.17 4.07 0.00 1.72 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.69 7.81 100 A 7.76 4.39 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 0.00 101 R 7.55 4.42 0.00 1.82 1.79 0.00 3.23 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 102 S 8.48 4.21 0.00 3.84 3.80 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 0.00 103 G 8.97 3.86 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 0.00 0.00 0.00 104 V 7.47 3.85 2.28 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 1.17 0.00 0.00 1.01 0.00 0.00 105 T 8.21 4.72 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 1.34 0.00 0.00 106 K 8.85 4.03 0.00 1.85 1.89 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.50 7.81 107 G 8.58 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.43 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 0.00 109 F 8.60 4.01 0.00 3.41 3.27 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 0.00 110 S 8.04 4.18 0.00 4.01 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 0.00 111 A 7.87 4.20 1.46 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 0.00 0.00 112 I 8.10 3.62 1.91 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 1.63 1.45 1.11 0.00 0.00 113 A 8.55 3.72 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.91 3.98 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 115 S 8.04 4.33 0.00 3.96 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 0.00 116 F 8.31 3.70 0.00 3.04 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 0.00 117 L 7.79 3.96 0.00 1.94 1.78 1.03 1.02 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 0.00 118 R 8.10 4.08 0.00 1.82 1.89 0.00 3.11 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 119 V 7.29 3.58 1.79 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 0.73 0.00 0.00 0.79 0.00 0.00 120 M 7.70 3.44 0.00 0.61 0.72 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 2.44 0.00 121 P 0.00 3.59 0.00 2.13 2.16 0.00 3.18 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 122 Q 8.07 4.06 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 123 V 7.30 3.95 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 0.61 0.00 0.00 0.84 0.00 0.00 124 A 8.19 4.31 1.23 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 0.00 125 S 8.06 4.86 0.00 3.92 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 0.00 126 C 8.80 4.48 0.00 3.01 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 0.00 127 F 8.34 4.51 0.00 2.83 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 0.00 128 N 7.52 4.60 0.00 2.66 2.50 0.00 0.00 6.88 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 0.00 129 P 0.00 3.94 0.00 2.33 2.41 0.00 3.60 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 2.03 2.09 0.00 130 D 8.14 4.32 0.00 2.86 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 0.00 131 A 8.26 3.95 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 0.00 132 W 8.05 4.11 0.00 3.46 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 0.00 133 S 8.87 4.20 0.00 4.16 4.05 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 0.00 134 R 8.12 3.90 0.00 2.05 1.97 0.00 3.30 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 135 C 8.10 4.20 0.00 2.78 2.90 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 0.00 0.00 0.00 0.00 136 F 8.18 3.34 0.00 2.37 2.94 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 0.00 137 N 8.64 4.37 0.00 2.90 2.87 0.00 0.00 6.72 7.27 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 0.00 138 R 7.50 3.79 0.00 1.77 1.99 0.00 3.04 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 139 I 7.32 3.50 1.40 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.23 0.53 0.00 0.00 140 T 7.80 3.62 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 1.20 0.00 0.00 141 T 8.07 3.87 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 1.14 0.00 0.00 142 G 7.32 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 0.00 0.00 0.00 143 M 7.84 4.22 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.45 0.00 144 T 7.29 4.50 3.35 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 1.02 0.00 0.00 145 E 7.79 4.07 0.00 1.93 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 2.34 2.17 0.00 146 P 0.00 4.58 0.00 2.15 2.13 0.00 3.74 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 1.90 1.95 0.00 147 L 7.82 4.10 0.00 1.62 1.71 0.95 1.11 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 0.00 148 P 0.00 4.24 0.00 2.07 1.66 0.00 3.92 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 2.12 0.00 149 A 9.15 4.14 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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