NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.5948 8.1827 119.4430 57.0618 39.2855 175.2407 4 K 3.7718 8.4762 127.7367 57.5261 31.6650 176.9130 5 K 3.8780 8.8660 121.2241 59.9525 32.7910 178.4204 6 V 3.7503 7.5906 111.6217 63.6089 31.4498 178.3802 7 A 4.0390 8.0384 120.6909 55.0766 18.1619 179.2348 8 K 3.8599 7.6456 116.6102 59.7939 32.3295 178.7882 9 E 3.8987 7.9736 118.7319 59.9400 29.3799 179.4349 10 T 3.8840 8.0951 115.2011 66.4137 68.5727 176.5046 11 A 4.0110 8.5738 123.0538 55.4116 18.3305 179.6550 12 I 3.6554 7.9476 118.1152 64.9868 37.2819 178.7341 13 T 3.8960 7.7707 116.0180 66.6795 68.2602 176.4655 14 L 4.0804 8.3757 122.6203 57.9350 41.9595 178.6228 15 Q 3.9848 8.3329 119.7853 59.4689 29.0121 178.7052 16 S 4.1477 7.9635 115.6606 61.6756 62.8350 176.1089 17 Y 4.0673 7.9665 122.1151 60.7992 38.5847 178.0751 18 L 4.0611 8.7643 120.0699 57.7849 41.6244 179.7211 19 T 3.8553 7.5954 116.3064 66.5769 68.3915 175.9591 20 Y 3.9766 7.9202 121.4577 60.7652 38.7053 178.3386 21 Q 3.3142 7.7865 118.4139 58.7065 28.7836 178.2654 22 A 3.8793 7.8522 121.8250 55.4712 18.2740 179.8685 23 V 3.4847 7.6107 116.2517 66.0626 31.6054 178.1130 24 R 3.7103 7.5220 118.3816 59.2135 29.8307 178.1050 25 L 3.8713 8.2297 120.2767 58.3946 42.2261 179.0701 26 I 3.7400 7.9064 119.8280 64.2836 36.7535 178.3486 27 S 4.1258 8.2005 113.6144 61.8767 62.5304 175.7238 28 Q 4.0309 8.3566 120.7486 58.7680 28.2166 178.6880 29 Q 3.9454 8.3606 120.6727 58.9154 29.1644 179.2165 30 L 4.5310 8.1065 119.8985 54.9324 42.2898 178.6046 31 S 4.1161 7.9569 113.8066 61.2445 62.5569 175.6844 32 E 4.2004 7.9992 121.0797 59.1442 30.2839 177.8424 33 T 4.0081 7.9623 108.2114 64.4826 69.3363 173.8271 34 N 5.1681 8.0938 123.2421 49.1622 38.7553 173.1932 35 P 4.3543 0.0000 0.0000 65.7283 31.7160 178.5853 36 G 3.7717 8.1839 105.1973 47.8232 0.0000 175.3990 37 Q 4.1095 8.1113 119.7983 58.3802 28.6435 178.4958 38 A 4.0135 7.8926 121.5224 55.3543 18.6385 179.5457 39 I 3.6182 7.8327 117.1293 63.7533 38.0151 177.6183 40 W 4.3217 8.4005 129.3212 60.8563 30.3138 177.6857 41 L 4.0658 8.6184 117.7590 57.9677 41.3785 179.8910 42 G 3.6854 7.7312 104.9444 47.8701 0.0000 175.3985 43 E 3.8773 7.8409 121.5569 59.1067 29.3930 179.5501 44 F 3.6967 7.6993 120.2056 61.2150 39.0742 177.3140 45 S 4.4296 7.7803 113.4733 60.9666 62.6804 176.4859 46 K 4.1005 7.8257 120.5975 59.5252 31.9870 179.1384 47 R 3.9017 7.2908 116.3616 57.6314 30.2111 176.8695 48 H 4.6897 7.1495 115.0814 52.9871 32.4563 171.1847 49 P 4.4724 0.0000 0.0000 61.9394 31.1888 176.8333 50 I 3.1532 8.4418 124.5204 63.0051 38.0366 176.7113 51 Q 4.0576 7.6956 118.7584 58.8174 28.7740 177.0650 52 E 4.4707 7.8628 118.9705 54.3894 28.6605 176.2758 53 S 4.1631 8.4685 120.0588 61.5673 63.0541 176.5127 54 D 4.4075 8.0774 121.8414 57.0255 40.6225 178.5277 55 L 4.0191 7.9672 119.0088 57.8661 41.7019 178.3996 56 Y 4.2137 8.2550 119.5659 61.1662 38.6787 178.6219 57 L 4.0930 8.2867 119.4941 57.8361 41.5438 179.2761 58 E 4.0000 8.4264 117.7412 59.3570 29.7895 179.0179 59 A 4.1645 8.3473 121.0956 55.4032 18.4897 179.4050 60 M 3.8300 8.0732 116.7208 58.5052 31.9619 177.7645 61 M 4.0799 7.8898 117.9671 58.5657 32.3366 177.4214 62 L 4.3678 7.5888 115.8891 55.4364 42.2114 177.0142 63 E 4.4917 7.6979 116.8182 57.1567 31.9913 175.5042 64 N 4.2485 8.4036 116.6662 51.7045 40.3828 174.7063 65 K 4.0905 8.3489 127.1057 58.7545 32.2010 178.9738 66 E 3.8171 7.9969 119.3952 59.3258 29.7010 178.5057 67 L 3.9268 8.1683 119.0426 58.1200 41.6516 180.0896 68 V 3.7213 7.4461 110.7760 64.0572 31.2722 178.6913 69 L 3.9724 7.8839 118.9744 57.6666 41.3893 179.4275 70 R 3.9636 8.1904 118.3083 59.5802 30.0206 179.0434 71 I 3.6984 7.7272 119.2340 64.5645 36.1181 178.5797 72 L 4.0121 7.9665 119.6044 57.7133 41.4337 179.8255 73 T 3.9388 7.6380 115.8638 66.4420 68.5358 177.1348 74 V 3.5738 7.9050 120.4657 66.0714 31.6033 178.1770 75 R 3.8634 8.1914 115.9037 59.3506 29.0701 178.3559 76 E 4.0117 7.7584 120.2520 58.9223 29.4946 178.3992 77 N 4.3995 8.0589 116.5202 55.7752 38.1467 177.4754 78 L 3.8807 8.2313 120.6617 57.7110 41.9529 178.8919 79 A 4.0227 7.9422 120.6470 55.5938 18.0119 178.7217 80 E 3.9202 8.0265 116.1188 59.0680 29.8040 179.9493 81 G 4.0340 7.6993 104.0677 44.7641 0.0000 174.6226 82 V 4.1361 7.3416 112.1286 60.1836 34.4340 177.5196 83 L 4.2734 7.6942 116.9151 55.3417 41.2323 178.3050 84 E 4.1784 7.5713 119.3505 59.4276 30.1185 178.4471 85 F 4.6991 7.6830 117.1151 60.1882 39.0064 177.6930 86 L 4.0439 7.9272 118.8818 57.6144 41.5879 177.7234 87 P 4.2635 0.0000 0.0000 65.2912 31.1673 178.1152 88 E 4.2149 8.0983 115.4823 58.8206 30.4063 178.0537 89 M 4.0322 8.5057 119.2719 57.8891 32.1409 178.0978 90 V 3.8649 7.9885 118.4152 65.1498 32.0231 177.7511 91 L 3.9545 7.4410 117.9445 57.9622 41.5337 179.3166 92 S 4.1061 8.2937 115.3805 61.9729 62.8575 176.8258 93 Q 3.9687 7.5943 119.1054 59.2013 28.4576 179.2200 94 I 3.7026 8.1576 121.0154 64.3734 37.2703 178.7236 95 K 3.8984 8.5885 120.2488 59.8075 32.4583 178.5959 96 Q 4.1823 8.1051 117.8989 57.8379 28.9319 177.9996 97 S 4.1104 8.0461 115.7637 61.0664 62.4909 175.3392 98 N 4.3889 8.9224 119.9641 56.4829 38.1529 177.3939 99 G 3.6475 8.1141 106.6179 48.0138 0.0000 175.2365 100 N 4.3104 7.9370 118.8132 56.3410 38.5159 177.2926 101 H 4.3256 8.1539 117.5752 58.6901 29.2022 177.6945 102 R 4.1811 8.1423 116.5093 57.7560 29.3359 178.6357 103 R 4.0013 7.6993 120.8213 59.5676 30.4445 178.1827 104 S 4.2998 7.7869 113.3050 60.4372 62.6994 175.8060 105 L 4.0282 7.8542 124.3954 57.6988 41.2821 178.2271 106 L 4.0277 7.4587 117.4320 56.7773 41.7291 178.6128 107 E 3.9752 8.5769 119.1807 59.0878 29.6193 178.4124 108 R 4.1017 7.7977 117.7751 58.3787 30.3323 177.2324 109 L 4.2906 7.1530 117.5338 55.0112 42.4915 176.3047 110 T 4.1133 6.8273 111.7486 61.9106 68.0847 173.1948 111 Q 4.1036 8.3083 125.8755 55.5175 29.5617 175.8706 112 V 3.7847 8.3471 123.9238 63.2252 31.5892 175.3871 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 3 F 8.18 4.59 0.00 3.06 3.12 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 0.00 0.00 0.00 4 K 8.48 3.77 0.00 1.87 1.82 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.50 7.81 5 K 8.87 3.88 0.00 1.92 1.90 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.52 7.81 6 V 7.59 3.75 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 1.04 0.00 0.00 7 A 8.04 4.04 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 8 K 7.65 3.86 0.00 2.07 1.89 0.00 1.60 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.52 7.81 9 E 7.97 3.90 0.00 2.04 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 2.31 2.38 0.00 10 T 8.10 3.88 4.38 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 1.20 0.00 0.00 11 A 8.57 4.01 1.39 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 0.00 0.00 0.00 12 I 7.95 3.66 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.28 0.93 0.00 0.00 13 T 7.77 3.90 4.38 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 1.20 0.00 0.00 14 L 8.38 4.08 0.00 1.91 1.78 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.33 3.98 0.00 2.36 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 16 S 7.96 4.15 0.00 4.08 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 17 Y 7.97 4.07 0.00 3.21 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 18 L 8.76 4.06 0.00 1.78 1.72 0.97 0.84 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 19 T 7.60 3.86 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 1.21 0.00 0.00 20 Y 7.92 3.98 0.00 2.89 2.88 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 21 Q 7.79 3.31 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.44 0.00 0.00 0.00 0.00 0.00 2.04 2.39 0.00 22 A 7.85 3.88 1.39 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 0.00 0.00 0.00 23 V 7.61 3.48 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 1.13 0.00 0.00 1.03 0.00 0.00 24 R 7.52 3.71 0.00 1.53 1.62 0.00 2.88 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 25 L 8.23 3.87 0.00 1.79 1.73 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.91 3.74 1.99 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 1.39 1.07 0.92 0.00 0.00 27 S 8.20 4.13 0.00 4.07 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 28 Q 8.36 4.03 0.00 2.34 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.39 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 29 Q 8.36 3.95 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 30 L 8.11 4.53 0.00 1.74 1.87 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.96 4.12 0.00 4.04 4.04 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 32 E 8.00 4.20 0.00 1.96 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 2.29 2.35 0.00 33 T 7.96 4.01 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 34 N 8.09 5.17 0.00 2.72 2.74 0.00 0.00 6.88 8.10 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 35 P 0.00 4.35 0.00 2.28 2.44 0.00 3.76 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 36 G 8.18 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 37 Q 8.11 4.11 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 38 A 7.89 4.01 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 0.00 0.00 0.00 0.00 0.00 39 I 7.83 3.62 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.30 1.03 0.00 0.00 40 W 8.40 4.32 0.00 3.58 3.40 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 41 L 8.62 4.07 0.00 2.00 1.84 1.18 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.73 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 0.00 0.00 0.00 43 E 7.84 3.88 0.00 1.94 1.89 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 2.31 2.46 0.00 44 F 7.70 3.70 0.00 1.60 2.47 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 45 S 7.78 4.43 0.00 4.21 4.04 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 46 K 7.83 4.10 0.00 1.83 1.80 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.50 7.81 47 R 7.29 3.90 0.00 1.53 1.59 0.00 2.94 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 48 H 7.15 4.69 0.00 2.53 3.10 0.00 5.84 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.47 0.00 2.23 2.21 0.00 3.78 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 2.12 1.96 0.00 50 I 8.44 3.15 1.34 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.50 0.85 0.00 0.00 51 Q 7.70 4.06 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 52 E 7.86 4.47 0.00 2.04 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 2.37 2.32 0.00 53 S 8.47 4.16 0.00 4.02 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 0.00 54 D 8.08 4.41 0.00 2.79 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 55 L 7.97 4.02 0.00 1.90 1.79 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.26 4.21 0.00 3.24 3.30 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 57 L 8.29 4.09 0.00 1.98 1.77 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.43 4.00 0.00 2.20 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 0.00 2.37 2.37 0.00 59 A 8.35 4.16 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 60 M 8.07 3.83 0.00 1.88 1.49 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.32 0.00 61 M 7.89 4.08 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 62 L 7.59 4.37 0.00 1.86 1.73 0.95 0.65 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 63 E 7.70 4.49 0.00 2.21 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 0.00 2.38 2.43 0.00 64 N 8.40 4.25 0.00 1.68 1.98 0.00 0.00 7.15 6.70 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 65 K 8.35 4.09 0.00 1.77 1.78 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.42 7.81 66 E 8.00 3.82 0.00 1.95 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 0.00 2.32 2.35 0.00 67 L 8.17 3.93 0.00 1.78 1.71 0.88 0.73 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 68 V 7.45 3.72 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 0.78 0.00 0.00 0.92 0.00 0.00 69 L 7.88 3.97 0.00 1.88 1.69 0.90 0.89 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 70 R 8.19 3.96 0.00 1.96 1.98 0.00 3.28 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 71 I 7.73 3.70 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.74 0.96 0.00 0.00 72 L 7.97 4.01 0.00 1.86 1.72 0.93 0.78 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 73 T 7.64 3.94 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 1.20 0.00 0.00 74 V 7.90 3.57 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 1.10 0.00 0.00 0.98 0.00 0.00 75 R 8.19 3.86 0.00 2.06 2.23 0.00 2.83 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.65 0.00 76 E 7.76 4.01 0.00 2.25 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 0.00 2.29 2.34 0.00 77 N 8.06 4.40 0.00 2.93 2.82 0.00 0.00 6.93 6.48 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 78 L 8.23 3.88 0.00 1.83 1.69 0.88 1.05 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 79 A 7.94 4.02 1.39 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 0.00 0.00 0.00 80 E 8.03 3.92 0.00 2.18 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 0.00 2.30 2.36 0.00 81 G 7.70 4.03 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 0.00 0.00 0.00 82 V 7.34 4.14 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 0.86 0.00 0.00 0.97 0.00 0.00 83 L 7.69 4.27 0.00 1.62 1.69 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.57 4.18 0.00 1.41 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 2.14 2.15 0.00 85 F 7.68 4.70 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 86 L 7.93 4.04 0.00 1.75 1.76 0.95 1.06 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 87 P 0.00 4.26 0.00 2.18 2.13 0.00 3.76 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 2.14 2.17 0.00 88 E 8.10 4.21 0.00 2.25 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 0.00 2.35 2.59 0.00 89 M 8.51 4.03 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 90 V 7.99 3.86 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 0.99 0.00 0.00 0.98 0.00 0.00 91 L 7.44 3.95 0.00 2.05 1.71 0.93 0.91 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 92 S 8.29 4.11 0.00 3.90 3.94 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 93 Q 7.59 3.97 0.00 2.39 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.53 0.00 94 I 8.16 3.70 1.98 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 1.58 0.72 0.91 0.00 0.00 95 K 8.59 3.90 0.00 1.93 2.08 0.00 1.30 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.72 1.45 7.81 96 Q 8.11 4.18 0.00 2.36 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 97 S 8.05 4.11 0.00 4.01 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 98 N 8.92 4.39 0.00 2.99 2.88 0.00 0.00 6.91 8.12 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 99 G 8.11 3.65 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 0.00 100 N 7.94 4.31 0.00 2.83 2.77 0.00 0.00 7.11 7.77 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 0.00 101 H 8.15 4.33 0.00 3.27 3.32 0.00 5.81 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.14 4.18 0.00 2.05 2.19 0.00 2.86 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 103 R 7.70 4.00 0.00 2.05 2.16 0.00 3.08 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 104 S 7.79 4.30 0.00 4.05 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 0.00 105 L 7.85 4.03 0.00 1.90 1.81 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.46 4.03 0.00 2.11 1.68 0.92 0.79 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 0.00 107 E 8.58 3.98 0.00 1.93 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 0.00 2.32 2.36 0.00 108 R 7.80 4.10 0.00 2.01 1.93 0.00 3.30 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 109 L 7.15 4.29 0.00 1.91 1.66 0.92 0.95 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 0.00 110 T 6.83 4.11 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 1.29 0.00 0.00 111 Q 8.31 4.10 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 112 V 8.35 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 0.81 0.00 0.00 0.93 0.00 0.00