NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2273 8.1727 120.1306 56.7871 34.8622 174.0564 2 V 4.5869 8.0319 121.2746 60.6768 32.7098 174.5632 3 F 4.4764 10.0703 129.0532 57.6020 40.2531 174.7816 4 E 4.2516 8.9713 120.5963 55.4131 31.0991 176.7400 5 R 3.1725 8.8681 120.5717 60.8989 30.0354 179.3058 6 C 4.3171 8.0029 115.4492 59.7296 36.1069 175.8200 7 E 3.8840 8.0751 120.7303 59.1468 29.2678 178.4854 8 L 3.4015 7.9759 120.1319 57.8454 42.1097 178.5515 9 A 3.9358 7.8526 120.7053 55.4527 18.2054 179.9176 10 R 3.8987 7.9601 116.3787 59.5766 30.1163 179.3934 11 T 3.8380 7.8069 115.5163 66.6085 68.4216 176.7021 12 L 3.8332 8.0994 121.2490 57.5761 41.7032 179.4892 13 K 3.9256 8.0746 119.6201 59.5100 31.9170 178.8859 14 R 3.9578 8.0341 118.2206 58.9609 30.0299 177.5037 15 L 4.3869 7.4851 116.4559 54.3475 41.6597 177.1989 16 G 3.8913 7.6967 106.7211 46.4387 0.0000 175.0840 17 M 3.9308 7.9349 122.2150 57.1170 32.2275 175.6740 18 D 4.6086 8.0404 117.8446 55.9443 41.2018 175.8418 19 G 3.9288 9.4700 115.5575 45.5935 0.0000 171.4948 20 Y 4.1446 8.3681 122.0841 58.6419 38.8992 176.3015 21 R 3.6492 8.9606 126.4279 57.2423 27.8491 176.9441 22 G 3.8069 8.1967 102.5928 46.0834 0.0000 173.9819 23 I 4.0990 7.5678 121.6765 58.9761 38.3550 176.0456 24 S 4.6465 8.2670 120.1234 57.5822 64.0364 174.8708 25 L 4.2051 8.7444 122.7022 58.5710 41.7930 179.1642 26 A 4.1442 8.1090 120.0504 55.0514 18.2857 179.3057 27 N 4.4110 8.0399 115.0135 56.2904 38.5902 177.6420 28 W 4.2078 7.9530 119.8522 60.0584 29.2109 178.2801 29 M 4.2034 8.5850 119.0369 58.6010 31.4327 178.0174 30 C 3.2584 8.0300 118.5631 59.0415 42.8669 175.4031 31 L 4.0077 8.1711 121.7295 58.2451 41.7694 178.6675 32 A 4.2626 8.5106 121.1455 55.0943 18.3181 179.3666 33 K 2.7962 8.0411 117.8843 59.4143 32.0593 179.1483 34 W 4.3232 7.8343 117.2498 59.0641 29.0183 178.4514 35 E 4.3309 8.4399 118.9740 58.7376 29.0176 177.7988 36 S 4.5311 7.9986 110.1497 56.7190 64.5033 175.0250 37 G 3.9775 7.8771 108.8680 46.4191 0.0000 172.9624 38 Y 3.6519 7.7324 113.9646 58.8237 34.6190 168.4062 39 N 5.2854 7.5647 119.1179 52.0121 40.0355 175.3047 40 T 4.2443 8.8526 116.9125 63.5561 69.2817 176.2730 41 R 4.2701 8.0343 120.0696 56.8211 30.9654 176.5873 42 A 4.2645 7.5119 120.0852 52.9038 19.2025 176.7535 43 T 5.5066 8.3083 110.6809 59.1054 72.5666 173.0888 44 N 4.8763 8.2501 121.4108 52.5576 41.9556 172.2272 45 Y 4.8586 8.7686 127.6419 57.0503 40.9814 173.9561 46 N 4.7180 8.5786 124.2738 50.7413 38.3189 174.8421 47 A 3.6203 8.2534 126.3970 54.9370 18.7832 179.6593 48 G 3.7128 7.9350 103.6706 47.9900 0.0000 173.7018 49 D 4.6854 7.2757 114.7985 51.8162 40.9787 175.2256 50 R 3.8996 8.4932 118.0601 57.1993 28.2039 175.4849 51 S 5.1023 7.6974 109.9319 56.8605 67.1755 172.6603 52 T 5.1441 8.8253 115.9742 62.0678 72.7756 172.7996 53 D 5.3682 9.0332 125.4019 53.4432 42.9486 175.0263 54 Y 5.0833 9.4344 121.5566 57.5592 41.4012 177.0955 55 G 4.2383 8.9880 111.4501 45.5399 0.0000 173.3177 56 I 3.9501 8.0280 116.6964 62.8346 37.8434 177.1919 57 F 4.7885 7.7598 115.5210 56.4403 40.0989 175.1130 58 Q 3.5401 7.8336 119.2160 57.1104 26.5284 174.0691 59 I 4.3651 8.0043 118.6284 61.1595 39.1942 176.8550 60 N 5.2873 9.2500 126.0801 53.3507 39.5531 175.8775 61 S 4.5115 9.0639 121.2069 60.7319 63.3140 175.6582 62 R 3.7137 8.7506 122.0187 58.6064 30.4030 177.7104 63 Y 4.1233 7.6256 114.6697 58.5554 40.3875 177.3161 64 W 4.6519 8.2732 119.0478 57.6711 30.4288 173.5723 65 C 5.5373 7.9450 110.9255 53.5564 45.3799 171.7738 66 N 4.8390 8.7930 118.8023 51.9987 39.8586 174.4308 67 D 4.7300 8.5883 123.2129 52.1971 40.1855 178.6357 68 G 3.9842 8.1664 107.8448 46.6307 0.0000 174.9152 69 K 4.3290 8.1012 116.5884 57.0815 33.3636 176.6249 70 T 4.3785 7.7204 118.3200 61.5129 68.6719 172.2736 71 P 4.3370 0.0000 0.0000 64.1149 31.6204 176.3813 72 G 3.9025 8.6805 112.6390 46.3167 0.0000 172.5555 73 A 4.4257 7.2997 119.7155 50.8832 20.6051 177.1521 74 V 4.3779 8.4693 112.0710 59.4354 35.7355 176.4613 75 N 4.9324 8.0406 116.9565 52.1044 37.6811 174.0761 76 A 3.9376 8.7828 124.7241 55.1649 18.9804 179.4860 77 C 4.4292 8.6938 110.5012 58.1099 40.8414 173.2299 78 H 4.1797 7.7933 116.3742 56.9435 26.5154 174.1676 79 L 4.8853 8.0562 117.2831 52.7623 46.2347 176.8274 80 S 4.7450 8.3061 115.1175 57.9746 63.3421 176.0456 81 C 4.1687 8.5960 123.7195 59.6072 39.3305 176.4282 82 S 3.8961 7.7640 114.6098 61.2594 61.4423 175.9653 83 A 4.0004 7.8435 123.1953 54.7669 17.6807 178.6763 84 L 4.4115 7.7862 115.7356 55.5811 41.6081 177.8663 85 L 5.2914 7.6124 117.6440 53.6622 42.4795 176.7478 86 Q 4.3072 7.5354 117.1922 55.4026 29.3791 176.1249 87 D 4.3983 8.6193 120.6503 57.2671 41.1013 176.8761 88 N 4.5433 8.0245 118.1149 53.3073 39.3256 174.7396 89 I 4.1977 8.4510 118.6658 61.0145 38.1215 176.9910 90 A 3.9438 8.1610 124.6495 55.8999 18.1666 179.8607 91 D 4.2837 8.0699 116.3776 57.3716 40.9263 178.6547 92 A 4.0507 7.9597 120.7721 55.2720 18.5004 179.6262 93 V 3.4558 8.3109 116.9290 66.1429 31.5678 178.1105 94 A 3.8750 8.0594 120.4360 55.0784 18.0562 178.8402 95 C 4.2337 8.1569 116.9893 59.6948 38.1046 175.6300 96 A 3.9161 8.3592 122.7541 54.8939 17.5524 179.9020 97 K 3.8453 7.6270 116.5519 59.4793 32.3961 179.0809 98 R 4.0908 7.7023 118.5616 59.4978 29.8580 178.5032 99 V 2.6435 7.5897 118.0167 65.8273 31.1480 177.8168 100 V 3.9727 7.4951 108.2125 62.4672 31.7254 177.7138 101 R 4.2315 7.7254 117.4240 56.6156 30.6697 176.2763 102 D 4.7617 7.3246 120.0986 52.4489 42.0413 175.3701 103 P 4.2454 0.0000 0.0000 66.3359 30.9457 177.9535 104 Q 4.0174 8.1692 117.4219 56.4110 30.0006 177.3662 105 G 3.7625 7.7577 106.7305 46.6121 0.0000 175.4759 106 I 3.9320 7.6685 122.2585 62.0305 37.9059 177.2128 107 R 4.4159 7.4508 117.2556 58.1080 30.2412 177.4553 108 A 4.1806 7.5610 120.4793 53.7920 18.7733 177.8824 109 W 4.6442 8.0211 115.8555 55.7679 29.8686 177.0963 110 M 4.1847 8.9896 123.6391 58.6432 31.6298 177.8805 111 A 4.0590 8.2500 120.6349 54.6279 18.4911 179.1740 112 W 4.0162 8.3113 126.6292 60.7861 30.5675 178.3881 113 R 3.6537 8.2088 116.2476 59.2918 29.6161 178.3825 114 N 4.3557 7.7250 114.7784 55.5198 38.7414 176.8448 115 R 4.0590 7.8085 116.3777 55.8427 31.1997 175.9191 116 C 4.5139 7.7379 115.1775 57.9673 42.6262 174.3964 117 Q 3.1190 6.4572 118.7281 57.3131 28.6207 175.5197 118 N 4.1791 8.6390 121.0740 54.5138 36.1671 173.7634 119 R 4.5377 7.2818 114.5917 54.0137 33.6670 175.2717 120 D 4.5757 8.5116 118.7423 54.1146 40.6761 175.8387 121 V 4.6527 8.2192 119.1171 61.1912 32.5337 178.2699 122 R 4.0873 7.9658 120.9781 59.1733 30.0395 178.9918 123 Q 4.0402 8.0650 114.7928 59.0104 28.5839 177.3377 124 Y 4.2363 7.8880 115.6912 59.9947 38.1091 176.6842 125 V 4.4227 7.7530 110.5564 60.7363 32.7568 175.4330 126 Q 4.1011 7.9719 120.0126 57.0857 28.9367 177.0774 127 G 4.0186 8.8660 109.8391 46.1004 0.0000 175.0553 128 C 4.3634 7.8796 116.1303 57.5825 40.5119 173.5908 129 G 3.7805 8.1222 107.0212 47.0448 0.0000 174.0388 130 V 4.0237 7.7782 117.3774 61.1689 32.3893 175.9981 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 K 8.17 4.23 0.00 1.63 2.12 0.00 1.07 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.10 7.81 2 V 8.03 4.59 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 0.89 0.00 0.00 0.98 0.00 0.00 3 F 10.07 4.48 0.00 2.89 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 4 E 8.97 4.25 0.00 1.97 1.85 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 2.30 2.24 0.00 5 R 8.87 3.17 0.00 1.89 1.87 0.00 3.40 0.00 0.00 3.43 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 6 C 8.00 4.32 0.00 2.99 3.11 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 7 E 8.08 3.88 0.00 2.07 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 2.67 2.45 0.00 8 L 7.98 3.40 0.00 1.29 1.35 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.85 3.94 1.36 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 0.00 0.00 10 R 7.96 3.90 0.00 1.89 1.98 0.00 3.14 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 11 T 7.81 3.84 4.20 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 1.20 0.00 0.00 12 L 8.10 3.83 0.00 1.74 1.57 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.07 3.93 0.00 1.84 1.94 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 8.03 3.96 0.00 2.02 1.92 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.49 4.39 0.00 1.67 1.55 0.85 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.70 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 17 M 7.93 3.93 0.00 1.45 1.99 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 18 D 8.04 4.61 0.00 2.69 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 19 G 9.47 3.93 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 0.00 0.00 0.00 0.00 20 Y 8.37 4.14 0.00 3.41 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 21 R 8.96 3.65 0.00 1.87 1.83 0.00 3.36 0.00 0.00 3.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.40 0.00 22 G 8.20 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.57 4.10 1.77 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.67 -0.33 0.00 0.00 24 S 8.27 4.65 0.00 4.05 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 25 L 8.74 4.21 0.00 1.88 1.80 0.98 1.17 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 26 A 8.11 4.14 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 27 N 8.04 4.41 0.00 2.79 2.71 0.00 0.00 6.89 7.00 0.00 0.00 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 W 7.95 4.21 0.00 3.51 3.02 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 29 M 8.58 4.20 0.00 2.17 2.34 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 2.71 2.95 0.00 30 C 8.03 3.26 0.00 2.51 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 31 L 8.17 4.01 0.00 1.79 1.79 0.77 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.51 4.26 1.60 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 0.00 0.00 33 K 8.04 2.80 0.00 1.75 1.72 0.00 0.61 0.00 0.00 1.19 0.00 0.00 2.72 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.04 0.42 7.81 34 W 7.83 4.32 0.00 3.43 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 35 E 8.44 4.33 0.00 2.04 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 0.00 2.61 2.44 0.00 36 S 8.00 4.53 0.00 4.08 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 37 G 7.88 3.98 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 0.00 0.00 0.00 38 Y 7.73 3.65 0.00 3.28 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 39 N 7.56 5.29 0.00 2.69 2.79 0.00 0.00 7.02 7.10 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 40 T 8.85 4.24 4.40 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 1.37 0.00 0.00 41 R 8.03 4.27 0.00 2.01 2.04 0.00 3.19 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 42 A 7.51 4.26 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 43 T 8.31 5.51 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 1.34 0.00 0.00 44 N 8.25 4.88 0.00 2.92 2.65 0.00 0.00 6.68 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 45 Y 8.77 4.86 0.00 2.94 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.58 4.72 0.00 2.60 2.58 0.00 0.00 6.71 7.79 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 47 A 8.25 3.62 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 48 G 7.93 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 0.00 0.00 0.00 49 D 7.28 4.69 0.00 2.69 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 50 R 8.49 3.90 0.00 2.06 2.19 0.00 3.12 0.00 0.00 3.41 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 0.00 51 S 7.70 5.10 0.00 3.81 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 52 T 8.83 5.14 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 0.67 0.00 0.00 53 D 9.03 5.37 0.00 2.67 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 54 Y 9.43 5.08 0.00 2.94 2.89 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 55 G 8.99 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 0.00 0.00 0.00 0.00 56 I 8.03 3.95 1.64 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.85 -0.06 0.00 0.00 57 F 7.76 4.79 0.00 3.23 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 58 Q 7.83 3.54 0.00 2.55 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.84 0.00 0.00 0.00 0.00 0.00 2.56 2.66 0.00 59 I 8.00 4.37 2.15 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.13 1.10 0.00 0.00 60 N 9.25 5.29 0.00 3.08 3.03 0.00 0.00 6.97 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 61 S 9.06 4.51 0.00 4.07 4.41 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 62 R 8.75 3.71 0.00 1.55 1.43 0.00 2.72 0.00 0.00 2.94 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 63 Y 7.63 4.12 0.00 2.03 1.85 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 64 W 8.27 4.65 0.00 3.55 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 65 C 7.95 5.54 0.00 3.18 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 66 N 8.79 4.84 0.00 2.81 2.69 0.00 0.00 7.15 7.83 0.00 0.00 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 D 8.59 4.73 0.00 2.88 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 68 G 8.17 3.98 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 0.00 0.00 0.00 69 K 8.10 4.33 0.00 1.89 1.95 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.47 7.81 70 T 7.72 4.38 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 1.19 0.00 0.00 71 P 0.00 4.34 0.00 2.02 2.02 0.00 3.82 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 72 G 8.68 3.90 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 0.00 0.00 0.00 73 A 7.30 4.43 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 74 V 8.47 4.38 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 0.64 0.00 0.00 0.90 0.00 0.00 75 N 8.04 4.93 0.00 2.77 2.63 0.00 0.00 6.77 8.56 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 76 A 8.78 3.94 1.24 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 0.00 0.00 77 C 8.69 4.43 0.00 3.29 3.26 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 78 H 7.79 4.18 0.00 3.32 3.36 0.00 5.79 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.06 4.89 0.00 1.72 1.52 1.01 0.85 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 80 S 8.31 4.74 0.00 3.83 3.69 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 81 C 8.60 4.17 0.00 2.33 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 82 S 7.76 3.90 0.00 3.85 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 4.00 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 84 L 7.79 4.41 0.00 1.98 1.97 1.17 0.61 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 85 L 7.61 5.29 0.00 1.77 1.72 1.07 1.33 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 86 Q 7.54 4.31 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 87 D 8.62 4.40 0.00 2.62 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 88 N 8.02 4.54 0.00 2.69 2.74 0.00 0.00 6.95 7.94 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 89 I 8.45 4.20 1.77 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.86 0.99 0.00 0.00 90 A 8.16 3.94 1.36 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 0.00 0.00 91 D 8.07 4.28 0.00 2.74 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 92 A 7.96 4.05 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 93 V 8.31 3.46 2.17 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 0.69 0.00 0.00 0.87 0.00 0.00 94 A 8.06 3.87 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 95 C 8.16 4.23 0.00 3.18 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 0.00 96 A 8.36 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.63 3.85 0.00 1.67 1.34 0.00 1.31 0.00 0.00 0.75 0.00 0.00 2.27 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.36 1.17 7.81 98 R 7.70 4.09 0.00 1.98 2.14 0.00 3.30 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.98 0.00 99 V 7.59 2.64 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 -0.98 0.00 0.00 100 V 7.50 3.97 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 1.12 0.00 0.00 1.44 0.00 0.00 101 R 7.73 4.23 0.00 2.07 2.04 0.00 3.25 0.00 0.00 3.44 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.19 0.00 102 D 7.32 4.76 0.00 2.93 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 0.00 103 P 0.00 4.25 0.00 2.15 2.20 0.00 3.78 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 1.98 2.01 0.00 104 Q 8.17 4.02 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.85 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 105 G 7.76 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 0.00 106 I 7.67 3.93 0.97 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.73 -0.89 0.00 0.00 107 R 7.45 4.42 0.00 2.09 2.04 0.00 3.24 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.49 0.00 108 A 7.56 4.18 0.89 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 0.00 109 W 8.02 4.64 0.00 3.57 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 M 8.99 4.18 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 111 A 8.25 4.06 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.31 4.02 0.00 3.46 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 8.21 3.65 0.00 2.02 1.98 0.00 3.34 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 114 N 7.73 4.36 0.00 2.66 2.70 0.00 0.00 6.94 7.67 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 0.00 115 R 7.81 4.06 0.00 1.10 0.66 0.00 2.21 0.00 0.00 2.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.88 0.00 116 C 7.74 4.51 0.00 1.63 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 0.00 117 Q 6.46 3.12 0.00 0.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.91 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 118 N 8.64 4.18 0.00 2.79 2.81 0.00 0.00 6.85 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 0.00 119 R 7.28 4.54 0.00 1.82 1.79 0.00 3.14 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 120 D 8.51 4.58 0.00 2.63 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 0.00 121 V 8.22 4.65 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 0.97 0.00 0.00 1.04 0.00 0.00 122 R 7.97 4.09 0.00 1.95 2.03 0.00 3.16 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 123 Q 8.06 4.04 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.12 0.00 0.00 0.00 0.00 0.00 2.20 1.72 0.00 124 Y 7.89 4.24 0.00 3.25 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 0.00 125 V 7.75 4.42 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 1.12 0.00 0.00 1.05 0.00 0.00 126 Q 7.97 4.10 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.80 0.00 0.00 0.00 0.00 0.00 2.58 2.30 0.00 127 G 8.87 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 0.00 0.00 0.00 128 C 7.88 4.36 0.00 3.03 3.15 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 0.00 129 G 8.12 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 0.00 0.00 0.00 130 V 7.78 4.02 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 0.79 0.00 0.00 0.96 0.00 0.00