NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5516 8.3049 120.6010 55.1366 33.2256 174.7872 2 E 3.8292 8.4360 127.4816 56.2166 30.1885 175.9750 3 H 4.6842 8.9160 122.4518 54.6934 29.0293 174.0819 4 V 4.3180 7.9825 121.3776 60.8316 34.8222 174.4119 5 A 4.6436 8.3981 129.6126 50.3994 20.2063 176.1247 6 F 3.1660 8.5143 124.2368 59.3647 39.7272 175.6034 7 G 3.5758 7.5945 115.3328 45.0859 0.0000 173.5539 8 S 4.1147 7.3814 116.4900 58.3988 63.2030 175.5409 9 E 4.0247 8.8629 124.6817 58.6670 29.5676 177.4071 10 D 4.9362 7.7905 117.4514 52.7699 40.1670 177.7611 11 I 3.5297 7.6166 122.8338 65.1005 37.4473 177.1886 12 E 4.1124 8.0938 117.0302 59.4229 29.5171 178.5939 13 N 4.5184 8.0676 117.0315 56.4767 38.8338 177.5240 14 T 3.8791 7.7985 116.6175 66.6089 68.7952 176.1847 15 L 4.1919 8.0201 119.2860 56.3318 41.4806 178.9846 16 A 4.2553 7.6870 120.9648 54.4514 18.3965 178.8543 17 K 4.1920 7.5270 114.2140 57.3775 33.5696 176.9144 18 M 4.3752 7.3287 120.4993 54.4505 33.2025 175.5645 19 D 4.8710 7.8270 120.5469 51.7532 41.5758 176.9436 20 D 4.6107 8.7312 115.6993 54.7442 38.9037 177.2260 21 G 3.9174 8.2885 108.5906 46.9188 0.0000 176.1082 22 Q 3.9365 8.8681 120.1836 57.9917 28.9602 178.4122 23 L 4.0175 7.8861 120.0387 57.6549 41.5314 178.3793 24 D 4.7055 7.6528 116.6185 55.6627 41.0132 177.0350 25 G 3.8899 7.7099 108.5264 45.1298 0.0000 174.0116 26 L 4.0483 7.2586 119.3472 54.1958 42.0448 177.0201 27 A 4.2736 7.9411 122.8277 52.8921 18.8609 176.8640 28 F 5.1030 6.6370 109.8696 54.5911 41.7093 174.6980 29 G 4.1393 9.6234 106.8371 45.8966 0.0000 172.7360 30 A 5.5126 9.3485 124.1915 50.3360 22.9596 175.1707 31 I 5.0332 9.0274 122.7587 59.4189 41.5116 174.1567 32 Q 4.6170 8.9610 127.4026 54.1572 31.2220 174.2578 33 L 5.3216 8.9701 126.0482 52.9828 45.9228 175.9855 34 D 5.1216 8.7090 121.6209 52.1178 41.6605 177.4085 35 G 3.8202 8.9597 106.8263 48.1336 0.0000 174.1625 36 D 4.7162 8.5647 117.7581 54.4184 41.6264 177.1968 37 G 4.0753 8.7331 108.6492 45.2343 0.0000 172.9731 38 N 4.9308 8.6685 117.9714 52.6170 39.4724 174.3197 39 I 4.3862 8.6238 124.0945 61.4140 37.6131 176.4618 40 L 4.4705 9.0127 127.6463 56.0224 43.2904 177.1431 41 Q 4.7260 7.7494 115.4809 54.7521 33.6940 173.9735 42 Y 5.0167 8.4655 123.2205 56.9368 41.6146 173.9909 43 N 5.0308 8.8301 125.1136 51.7706 39.6777 176.2565 44 A 4.0460 9.1937 120.8548 55.3687 18.3678 179.8088 45 A 3.9794 7.9702 118.7492 55.2666 18.3146 179.3434 46 E 4.0132 8.3851 117.5422 59.3732 29.6853 179.1053 47 G 3.8665 8.1577 105.3636 47.9971 0.0000 175.4364 48 D 4.4281 8.0197 120.3945 57.1470 40.8605 178.6008 49 I 4.0037 7.5585 119.5956 63.9393 37.3503 177.6353 50 T 4.5146 8.2841 108.0018 61.3536 69.6901 175.8215 51 G 4.0105 8.5579 110.2824 45.2645 0.0000 174.1531 52 R 4.0136 7.4449 118.1994 55.9017 30.9839 175.6676 53 D 4.6561 8.3367 120.5661 52.6335 41.7868 174.8696 54 P 4.1119 0.0000 0.0000 66.0819 31.1789 178.6334 55 K 3.9364 7.5510 113.7742 59.5195 31.9711 179.0054 56 Q 4.1219 7.7848 116.9738 57.9984 29.0766 177.9626 57 V 3.8582 7.2716 112.6480 61.2960 31.9075 176.2797 58 I 3.9629 7.1223 120.0482 62.6787 37.3510 175.8995 59 G 3.9947 9.1743 114.4149 45.2371 0.0000 173.9990 60 K 4.2458 7.8053 118.9534 55.3692 33.3649 175.2122 61 N 4.9396 8.7470 119.7035 52.3816 39.7931 175.5589 62 F 3.8388 9.0361 129.0855 61.3346 39.5568 177.2661 63 F 4.0487 7.5356 117.1673 59.5587 39.1277 176.6564 64 K 4.0401 8.3506 120.9135 58.5129 32.4603 177.0178 65 D 4.5248 7.8398 116.6185 56.3624 41.7432 178.2725 66 V 3.5662 7.5262 116.7144 65.1198 32.3699 176.1702 67 A 4.3309 7.4694 121.3293 49.4125 18.4410 174.7916 68 P 4.1193 0.0000 0.0000 64.7339 31.9478 179.2526 69 C 4.2988 7.7405 112.8285 60.2810 29.9281 174.0905 70 T 4.2689 7.7355 110.3335 61.8334 68.8831 174.2012 71 D 5.2597 7.6849 123.4583 52.8518 39.7130 174.8692 72 S 4.7519 7.9097 116.9147 56.0923 65.4942 174.8916 73 P 4.2385 0.0000 0.0000 65.6728 31.1927 178.5724 74 E 4.0967 7.7521 116.1596 57.9809 29.1918 176.1066 75 F 4.5285 7.4503 118.9343 58.6635 42.2851 175.5086 76 Y 4.1661 9.0950 120.5743 60.8394 38.8971 179.0909 77 G 3.6304 8.2644 107.9299 47.1745 0.0000 175.8430 78 K 4.0068 7.9568 120.2961 58.8884 32.1049 179.1156 79 F 4.0995 8.3092 121.3060 61.1910 39.4493 177.2733 80 K 3.6845 8.3682 118.9240 59.9985 32.1648 178.6563 81 E 3.9426 8.0299 120.1390 58.6727 29.4386 179.0526 82 G 3.4853 7.7998 105.9834 46.7197 0.0000 175.8817 83 V 3.4039 7.3093 120.8867 64.9500 31.5178 177.6914 84 A 4.0799 7.5037 119.3353 55.2532 18.2757 179.5246 85 S 4.2340 7.9373 112.9968 61.0336 63.0878 175.5876 86 G 4.1387 8.5586 107.4819 45.1277 0.0000 172.7985 87 N 5.1522 7.8072 117.2232 52.3033 43.1963 172.7140 88 L 4.5324 8.2624 123.7607 54.3915 45.8954 173.5888 89 N 5.1995 8.7023 122.6982 53.6710 40.3713 172.7725 90 T 4.8847 9.0627 120.0490 60.5329 71.6402 171.8315 91 M 5.4412 8.6465 126.2146 53.9479 35.3715 174.0352 92 F 5.0158 8.5258 119.1408 56.0735 41.8100 172.9501 93 E 4.9115 8.9050 119.1868 56.3454 30.8559 174.8953 94 Y 4.8830 8.8201 122.1684 57.1508 43.2894 173.1542 95 T 4.9673 7.8031 118.6525 61.7285 71.3340 173.5941 96 F 5.3543 9.1243 126.1202 56.0730 40.5525 176.1529 97 D 5.0109 8.8069 121.1504 52.9471 39.6732 174.1756 98 Y 4.4700 8.1900 121.9192 58.0174 39.0152 175.1454 99 Q 3.4529 8.4016 126.6189 56.1615 26.4698 172.9746 100 M 4.6889 7.1225 112.4673 54.2052 34.3585 174.1925 101 T 4.0167 8.2733 116.5599 62.6661 69.0599 172.9510 102 P 4.6334 0.0000 0.0000 63.7221 32.1051 175.7807 103 T 4.6350 9.0605 120.7381 61.5237 71.8076 173.0473 104 K 4.6116 8.6538 128.0208 56.1689 33.8119 175.8747 105 V 4.5118 8.7716 119.4840 59.6541 37.0108 173.7388 106 K 4.7774 8.9009 123.2434 54.7408 34.3114 174.8636 107 V 4.9779 8.6490 127.2984 61.2972 34.6468 173.6461 108 H 5.2469 9.3765 126.6386 54.8046 32.8787 171.6237 109 M 5.1917 9.1632 126.1237 53.5880 34.6480 175.1116 110 K 5.2296 8.9026 123.5758 54.5859 36.3792 175.0241 111 K 4.3987 8.7838 128.7686 56.5846 32.7495 176.4818 112 A 4.5636 8.2198 129.3124 51.3007 19.0510 177.4947 113 L 4.0446 8.7160 120.9020 58.0494 42.3753 177.8747 114 S 4.2630 7.9003 111.4530 57.4618 63.2662 173.1610 115 G 3.3504 8.0093 105.7452 48.7810 0.0000 173.7133 116 D 4.8867 7.9013 121.4759 51.9722 39.8120 175.9295 117 S 4.8646 6.8489 114.6994 56.9261 67.6436 174.2563 118 Y 4.8483 8.9452 118.4940 56.2483 42.4624 174.3015 119 W 4.9717 9.2782 123.0468 55.2922 31.8865 175.5699 120 V 4.6167 8.5954 122.7809 61.2869 33.8475 174.0792 121 F 5.7477 9.1714 127.3420 55.9322 41.7767 175.0827 122 V 5.3171 9.3836 122.1809 61.2945 35.2270 174.1943 123 K 4.9394 8.6727 124.8917 55.1524 36.2045 175.8327 124 R 4.3768 8.4902 120.3163 56.3296 31.1399 177.2302 125 V 3.9421 7.7718 113.4984 61.7125 32.5379 175.6858 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 4.55 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 2 E 8.44 3.83 0.00 1.77 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 0.00 2.27 2.44 0.00 3 H 8.92 4.68 0.00 3.04 3.26 0.00 5.65 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.98 4.32 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 0.80 0.00 0.00 0.87 0.00 0.00 5 A 8.40 4.64 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 6 F 8.51 3.17 0.00 2.47 2.71 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 7 G 7.59 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.38 4.11 0.00 3.78 3.73 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 9 E 8.86 4.02 0.00 1.93 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 2.28 2.23 0.00 10 D 7.79 4.94 0.00 2.78 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 11 I 7.62 3.53 1.76 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.00 0.82 0.00 0.00 12 E 8.09 4.11 0.00 2.35 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 0.00 2.33 2.42 0.00 13 N 8.07 4.52 0.00 2.97 2.91 0.00 0.00 6.96 8.16 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 14 T 7.80 3.88 4.17 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 1.17 0.00 0.00 15 L 8.02 4.19 0.00 1.57 1.42 0.78 0.01 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 16 A 7.69 4.26 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 17 K 7.53 4.19 0.00 2.04 1.96 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.69 1.48 7.81 18 M 7.33 4.38 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 19 D 7.83 4.87 0.00 2.85 2.83 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 0.00 0.00 0.00 0.00 20 D 8.73 4.61 0.00 2.91 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 21 G 8.29 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 22 Q 8.87 3.94 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 23 L 7.89 4.02 0.00 1.74 1.77 1.20 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.65 4.71 0.00 2.86 2.72 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 25 G 7.71 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 26 L 7.26 4.05 0.00 1.33 0.55 0.62 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.94 4.27 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 28 F 6.64 5.10 0.00 3.33 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 29 G 9.62 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.35 5.51 1.48 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 0.00 0.00 31 I 9.03 5.03 1.65 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.64 0.78 0.00 0.00 32 Q 8.96 4.62 0.00 1.21 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 1.83 1.31 0.00 33 L 8.97 5.32 0.00 1.70 1.54 0.27 0.52 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 34 D 8.71 5.12 0.00 2.89 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 35 G 8.96 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 0.00 0.00 0.00 36 D 8.56 4.72 0.00 2.90 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 37 G 8.73 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 0.00 0.00 0.00 0.00 38 N 8.67 4.93 0.00 3.09 2.74 0.00 0.00 7.03 8.17 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 39 I 8.62 4.39 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 1.03 0.00 0.00 40 L 9.01 4.47 0.00 1.47 1.65 0.84 0.86 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 41 Q 7.75 4.73 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 42 Y 8.47 5.02 0.00 2.95 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 43 N 8.83 5.03 0.00 3.04 2.98 0.00 0.00 6.43 8.01 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 44 A 9.19 4.05 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 45 A 7.97 3.98 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 46 E 8.39 4.01 0.00 1.96 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 1.47 2.17 0.00 47 G 8.16 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 48 D 8.02 4.43 0.00 2.89 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 49 I 7.56 4.00 2.13 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.71 1.06 0.00 0.00 50 T 8.28 4.51 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 1.45 0.00 0.00 51 G 8.56 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 52 R 7.44 4.01 0.00 1.85 1.67 0.00 3.22 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 53 D 8.34 4.66 0.00 2.68 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.11 0.00 2.27 2.57 0.00 3.71 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.50 0.00 55 K 7.55 3.94 0.00 1.87 1.87 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.54 7.81 56 Q 7.78 4.12 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 57 V 7.27 3.86 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 0.63 0.00 0.00 0.06 0.00 0.00 58 I 7.12 3.96 1.85 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.76 0.97 0.00 0.00 59 G 9.17 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 60 K 7.81 4.25 0.00 1.84 1.67 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.44 7.81 61 N 8.75 4.94 0.00 2.81 2.74 0.00 0.00 7.19 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 62 F 9.04 3.84 0.00 2.69 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 0.00 0.00 0.00 63 F 7.54 4.05 0.00 2.51 2.21 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 64 K 8.35 4.04 0.00 1.66 1.75 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.35 7.81 65 D 7.84 4.52 0.00 2.72 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 66 V 7.53 3.57 1.80 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 0.63 0.00 0.00 0.83 0.00 0.00 67 A 7.47 4.33 -0.13 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 0.00 0.00 0.00 68 P 0.00 4.12 0.00 1.84 1.93 0.00 3.16 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.62 0.00 69 C 7.74 4.30 0.00 3.26 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 70 T 7.74 4.27 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 0.62 0.00 0.00 71 D 7.68 5.26 0.00 2.76 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 72 S 7.91 4.75 0.00 4.14 4.06 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 73 P 0.00 4.24 0.00 2.21 2.13 0.00 3.66 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 2.13 2.12 0.00 74 E 7.75 4.10 0.00 2.11 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 2.42 2.31 0.00 75 F 7.45 4.53 0.00 2.75 2.98 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 76 Y 9.10 4.17 0.00 2.92 2.98 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 77 G 8.26 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 78 K 7.96 4.01 0.00 1.92 1.84 0.00 1.11 0.00 0.00 1.44 0.00 0.00 2.69 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.52 7.81 79 F 8.31 4.10 0.00 3.37 3.28 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 80 K 8.37 3.68 0.00 1.78 1.65 0.00 1.09 0.00 0.00 1.39 0.00 0.00 2.81 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.00 1.43 7.81 81 E 8.03 3.94 0.00 2.15 1.90 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 2.25 2.31 0.00 82 G 7.80 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 0.00 0.00 0.00 83 V 7.31 3.40 1.65 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 0.85 0.00 0.00 -0.62 0.00 0.00 84 A 7.50 4.08 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 85 S 7.94 4.23 0.00 3.87 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 86 G 8.56 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 N 7.81 5.15 0.00 2.75 2.61 0.00 0.00 6.62 6.66 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 88 L 8.26 4.53 0.00 1.82 1.58 1.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.70 5.20 0.00 2.77 2.73 0.00 0.00 6.83 7.70 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 90 T 9.06 4.88 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 1.42 0.00 0.00 91 M 8.65 5.44 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 92 F 8.53 5.02 0.00 3.16 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 93 E 8.90 4.91 0.00 1.96 1.96 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 2.28 2.35 0.00 94 Y 8.82 4.88 0.00 3.29 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 95 T 7.80 4.97 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 1.24 0.00 0.00 96 F 9.12 5.35 0.00 3.06 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 97 D 8.81 5.01 0.00 2.77 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 98 Y 8.19 4.47 0.00 2.95 2.85 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 99 Q 8.40 3.45 0.00 1.81 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.51 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.00 100 M 7.12 4.69 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 101 T 8.27 4.02 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 1.23 0.00 0.00 102 P 0.00 4.63 0.00 1.96 2.05 0.00 3.64 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 2.05 2.17 0.00 103 T 9.06 4.64 4.36 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 1.25 0.00 0.00 104 K 8.65 4.61 0.00 1.82 1.64 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 105 V 8.77 4.51 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 0.46 0.00 0.00 0.27 0.00 0.00 106 K 8.90 4.78 0.00 1.63 1.35 0.00 1.53 0.00 0.00 1.66 0.00 0.00 2.69 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.34 7.81 107 V 8.65 4.98 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 0.71 0.00 0.00 0.90 0.00 0.00 108 H 9.38 5.25 0.00 2.89 2.92 0.00 5.62 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.16 5.19 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 110 K 8.90 5.23 0.00 1.74 1.73 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.63 7.81 111 K 8.78 4.40 0.00 1.94 1.74 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.05 7.81 112 A 8.22 4.56 0.99 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 0.00 113 L 8.72 4.04 0.00 1.69 1.77 0.95 0.94 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 0.00 114 S 7.90 4.26 0.00 3.95 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 0.00 115 G 8.01 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 0.00 0.00 0.00 116 D 7.90 4.89 0.00 2.68 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 0.00 117 S 6.85 4.86 0.00 3.55 3.67 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 0.00 118 Y 8.95 4.85 0.00 3.20 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 0.00 119 W 9.28 4.97 0.00 2.95 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 0.00 0.00 0.00 0.00 120 V 8.60 4.62 1.90 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 1.16 0.00 0.00 0.83 0.00 0.00 121 F 9.17 5.75 0.00 2.78 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 0.00 122 V 9.38 5.32 2.50 0.00 0.00 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 0.00 0.00 1.28 0.00 0.00 123 K 8.67 4.94 0.00 1.61 1.46 0.00 0.99 0.00 0.00 0.76 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.30 0.93 7.81 124 R 8.49 4.38 0.00 1.68 1.87 0.00 3.15 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 125 V 7.77 3.94 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 0.51 0.00 0.00 0.92 0.00 0.00