NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3900 8.1927 115.2905 57.8506 63.5023 174.3058 4 K 3.9299 8.5189 129.3946 57.9556 32.6442 177.0964 5 R 3.9334 8.4905 119.4565 59.1012 31.0052 177.3155 6 N 4.5941 7.7587 113.3867 54.4664 39.1293 175.7709 7 K 4.3475 7.2935 116.3735 55.0541 32.8645 174.9486 8 P 4.7622 0.0000 0.0000 63.2513 32.6357 174.9235 9 G 3.9704 8.0351 106.5485 46.1948 0.0000 171.9350 10 K 5.0109 8.3919 118.7018 53.9487 34.2689 176.8273 11 A 4.5459 8.5297 126.8207 52.7654 19.9103 176.6736 12 T 4.5591 9.1755 110.9723 60.8898 72.8992 174.2472 13 G 4.2982 9.0064 105.0634 46.0998 0.0000 173.4612 14 K 4.0570 8.8093 117.9312 56.1234 33.0051 178.5948 15 G 4.1872 9.3493 107.5984 44.5625 0.0000 172.4289 16 K 4.6272 8.4297 116.4874 53.4994 36.1019 174.3299 17 P 4.5206 0.0000 0.0000 63.1216 31.4577 176.0650 18 V 4.4903 8.1271 115.4794 59.3395 35.2242 174.9223 19 G 4.1928 8.2567 110.5893 43.6993 0.0000 173.2064 20 D 4.7874 9.0031 117.4159 55.0162 39.3898 177.1255 21 K 4.6285 7.6760 120.0656 55.9909 32.5740 178.2026 22 W 4.3576 8.2793 118.8987 60.5008 28.7714 177.2067 23 L 3.5635 7.0739 118.3022 56.2218 40.5228 178.6530 24 D 4.3676 7.6401 118.7041 57.4692 40.6656 177.9852 25 D 4.4255 7.7848 117.7179 57.7398 40.8622 178.9185 26 A 4.3543 7.9866 120.9754 55.1394 18.0775 179.2869 27 G 3.8019 7.7316 101.2998 45.0438 0.0000 173.7433 28 K 4.6069 7.7622 120.8899 55.3290 35.3460 178.7606 29 D 4.0827 8.5267 118.6030 54.7720 41.2611 174.2353 30 S 4.4880 8.6326 119.7146 57.5838 64.8553 175.4375 31 G 4.0443 8.6583 109.7800 44.6259 0.0000 173.3859 32 A 4.3725 8.2146 121.3739 51.3497 19.4815 175.8999 33 P 4.9369 0.0000 0.0000 62.1579 33.2275 175.3207 34 I 4.1561 8.1766 120.4584 59.6706 39.4601 173.0824 35 P 4.5321 0.0000 0.0000 62.9915 31.7638 177.1860 36 D 4.7788 8.9588 125.1519 55.6837 39.0713 178.4432 37 R 4.3265 7.6007 114.4270 57.0563 30.4227 177.9315 38 I 3.8378 7.3667 120.9313 64.2202 37.4377 177.5094 39 A 4.0642 7.8316 121.5429 55.3854 17.8905 179.4478 40 D 4.3039 8.1141 116.8340 57.4329 40.9505 178.7923 41 K 4.1570 7.7733 117.4372 58.2055 32.3060 177.7966 42 L 4.6499 7.7433 117.5789 54.9299 43.8282 176.5296 43 R 3.9544 7.7418 118.6343 58.2016 30.0913 175.9675 44 D 4.6880 9.1657 123.8339 53.9769 41.3964 173.8966 45 K 4.0515 8.0151 118.6854 56.6163 33.4464 175.5726 46 E 4.3974 8.2941 125.8899 55.4475 30.3616 175.2605 47 F 4.9826 8.5612 125.7620 55.8750 41.6925 176.8774 48 K 4.3511 8.9058 120.0681 57.5880 33.0096 176.8058 49 S 4.8405 7.5965 109.4608 55.9385 65.9697 175.6939 50 F 4.0641 9.2070 124.0423 61.5286 38.7972 176.9303 51 D 4.5388 7.8372 116.7394 58.0071 40.8314 178.9989 52 D 4.4066 8.2955 118.8657 56.9258 40.8193 178.3334 53 F 2.6895 7.9535 120.7585 60.8984 39.3252 176.6447 54 R 3.2952 7.6345 118.2650 59.2873 29.7878 178.1626 55 K 4.2583 7.8638 120.0893 59.0668 32.2006 178.5801 56 A 3.9464 7.6068 120.4692 54.8957 18.3144 179.7645 57 V 3.0413 7.1191 116.9645 65.8601 31.5612 178.3153 58 W 4.5351 7.6891 118.1765 59.4085 28.8276 178.5416 59 E 4.2687 8.2523 118.8454 59.1886 28.8556 179.0865 60 E 3.9597 8.2299 119.0137 59.0526 29.2736 179.1590 61 V 3.5933 7.4174 117.5881 66.2159 31.6613 177.9605 62 S 4.3329 7.9168 112.4526 61.4205 62.9252 176.2311 63 K 4.3627 7.7230 120.5348 56.7482 32.0479 176.7724 64 D 4.7037 7.6039 119.2679 51.7372 42.1675 174.5583 65 P 4.2906 0.0000 0.0000 65.8210 31.0808 178.0613 66 E 4.2735 8.0324 114.7469 57.6815 29.3821 178.4046 67 L 4.2424 7.5319 119.2011 56.6690 42.3371 178.1082 68 S 4.6301 7.8934 113.6160 57.5003 63.1356 174.1026 69 K 4.0851 7.4014 122.9782 57.8024 32.6234 175.1108 70 N 4.5996 8.9996 126.4237 54.3490 38.2167 174.3035 71 L 3.9651 7.2352 118.9490 54.9559 41.9553 177.7831 72 N 4.6058 8.6319 121.8294 51.9453 39.3768 173.7245 73 P 4.2365 0.0000 0.0000 66.0045 31.3662 178.3558 74 S 4.1048 8.2480 111.1836 62.0959 62.2161 176.2354 75 N 4.4973 8.6117 118.3808 55.6978 38.2293 177.7684 76 K 3.9989 8.0947 120.4167 59.6360 31.9621 179.4033 77 S 4.1815 7.9015 113.9716 62.1419 63.0220 176.1655 78 S 4.1803 8.2189 117.0910 62.6570 62.4724 177.2325 79 V 3.8425 8.1657 114.3287 64.7230 31.2802 178.7549 80 S 4.1525 7.9367 114.1631 61.5315 62.8475 176.2316 81 K 4.3460 8.0149 117.8371 56.2728 32.2667 177.5852 82 G 3.8271 8.3086 108.6288 45.6662 0.0000 172.4057 83 Y 4.7129 7.3197 115.7283 55.4962 39.6918 175.6690 84 S 2.7900 8.3234 118.5329 57.0083 63.3172 172.2415 85 P 4.3060 0.0000 0.0000 62.4164 32.5009 175.6074 86 F 4.7055 8.6188 120.8368 57.9524 39.3992 175.6062 87 T 4.0855 8.1926 113.6325 59.8800 70.3141 172.7471 88 P 4.3036 0.0000 0.0000 62.3587 32.2616 177.3607 89 K 3.7930 8.9473 123.9290 59.7982 31.9339 178.0384 90 N 4.5364 8.1088 112.3457 54.4524 37.5626 175.0765 91 Q 4.4421 8.1165 117.9519 55.8492 29.3976 175.3119 92 Q 4.5089 7.7409 117.6322 54.8660 30.0595 176.0591 93 V 4.2133 8.1575 119.7587 61.4913 33.3971 177.9180 94 G 3.8349 8.4150 119.4806 46.7599 0.0000 172.8027 95 G 3.7957 9.1156 111.6572 45.4535 0.0000 173.0709 96 R 4.5325 8.2571 120.7732 54.4964 31.0168 176.6558 97 K 4.5675 8.5180 120.6534 55.3904 34.4992 176.1709 98 V 4.6651 7.3078 110.5388 58.8939 34.7302 175.1546 99 Y 4.3771 7.8423 119.6824 58.7130 38.8213 175.9688 100 E 4.7987 9.5061 120.8811 54.7394 33.5450 175.3157 101 L 4.8449 8.9674 124.7907 54.3530 41.7592 175.3742 102 H 4.6658 9.5186 125.0909 55.0157 31.6074 173.9116 103 A 4.1204 8.2571 127.4187 51.2921 18.4656 176.2378 104 D 4.2746 9.1982 124.5507 57.5605 40.8788 176.4452 105 K 4.1479 9.2008 122.9870 54.6659 32.6348 174.9709 106 P 4.2985 0.0000 0.0000 63.0956 31.9802 177.3727 107 I 3.8586 8.4231 122.0907 64.7278 37.2256 178.5794 108 S 4.3193 8.0860 112.9138 60.7538 62.4974 174.6691 109 Q 4.5639 7.8140 119.3354 56.2535 29.2767 175.8194 110 G 4.0139 8.4153 106.6418 45.4717 0.0000 175.7516 111 G 3.7753 7.7741 108.8538 44.6238 0.0000 173.3262 112 E 4.1914 8.5263 122.4834 55.5171 30.3752 178.2150 113 V 3.4539 8.4893 123.9255 65.6010 32.0005 176.2796 114 Y 3.9960 7.6813 115.4031 57.4981 38.2310 174.8033 115 D 4.9283 7.4998 120.7583 53.2107 39.9068 176.8039 116 M 4.3925 9.0251 127.2896 57.6245 32.1421 177.7482 117 D 4.5829 8.1457 116.9110 55.4938 41.7287 176.6671 118 N 4.5454 8.7018 117.9312 54.8637 39.4553 174.2945 119 I 4.7405 7.6596 118.8728 60.6930 38.4786 175.4118 120 R 4.8999 9.2864 126.2858 54.0967 33.3393 175.3073 121 V 4.4314 8.9201 125.0362 63.2391 32.5291 174.9235 122 T 5.3870 9.2633 118.5339 59.8886 72.4510 173.4682 123 T 4.2624 8.3642 112.8152 60.8851 70.1404 173.6848 124 P 4.2262 0.0000 0.0000 66.1181 31.4935 178.8533 125 K 3.9096 8.0436 118.0268 59.3775 32.0192 178.8889 126 R 3.8961 7.8421 119.2332 59.5919 29.8351 177.8348 127 H 4.2021 8.6091 117.3294 59.3024 29.9401 177.1165 128 I 3.8190 8.0551 121.6842 64.6011 36.8217 177.9070 129 D 4.3989 7.7183 117.9846 57.5829 40.7117 178.9048 130 I 3.8214 7.6546 119.1276 64.6968 37.2629 175.8661 131 H 4.3530 7.7413 119.6575 56.0577 28.5249 175.2214 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 S 8.19 4.39 0.00 3.87 3.96 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 4 K 8.52 3.93 0.00 1.90 1.76 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.52 7.81 5 R 8.49 3.93 0.00 1.75 1.84 0.00 3.02 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 6 N 7.76 4.59 0.00 2.96 2.91 0.00 0.00 7.08 7.23 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 7 K 7.29 4.35 0.00 2.01 1.80 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.62 7.81 8 P 0.00 4.76 0.00 2.08 2.10 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 9 G 8.04 3.97 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 0.00 0.00 0.00 10 K 8.39 5.01 0.00 1.57 1.66 0.00 2.03 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.70 7.81 11 A 8.53 4.55 1.56 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 12 T 9.18 4.56 4.26 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 1.27 0.00 0.00 13 G 9.01 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 0.00 0.00 0.00 0.00 14 K 8.81 4.06 0.00 1.83 1.85 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.54 7.81 15 G 9.35 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 0.00 0.00 0.00 16 K 8.43 4.63 0.00 1.81 1.65 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.41 7.81 17 P 0.00 4.52 0.00 2.16 2.05 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 18 V 8.13 4.49 2.18 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 0.82 0.00 0.00 0.57 0.00 0.00 19 G 8.26 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 0.00 0.00 0.00 20 D 9.00 4.79 0.00 2.86 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 21 K 7.68 4.63 0.00 2.12 2.10 0.00 1.38 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.62 7.81 22 W 8.28 4.36 0.00 3.67 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.07 3.56 0.00 1.26 1.09 0.38 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.64 4.37 0.00 2.94 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 25 D 7.78 4.43 0.00 3.12 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 26 A 7.99 4.35 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.73 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 0.00 0.00 0.00 28 K 7.76 4.61 0.00 1.80 1.70 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.38 7.81 29 D 8.53 4.08 0.00 2.75 2.54 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 0.00 0.00 0.00 0.00 30 S 8.63 4.49 0.00 3.99 3.97 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 31 G 8.66 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 0.00 0.00 0.00 32 A 8.21 4.37 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 33 P 0.00 4.94 0.00 2.14 2.13 0.00 3.91 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 34 I 8.18 4.16 1.84 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.41 1.10 0.00 0.00 35 P 0.00 4.53 0.00 1.71 1.50 0.00 3.28 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 0.99 0.78 0.00 36 D 8.96 4.78 0.00 2.86 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 37 R 7.60 4.33 0.00 1.91 2.02 0.00 2.96 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.82 0.00 38 I 7.37 3.84 1.77 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.83 0.70 0.00 0.00 39 A 7.83 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.11 4.30 0.00 2.62 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 41 K 7.77 4.16 0.00 1.86 1.96 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.68 7.81 42 L 7.74 4.65 0.00 1.83 2.00 0.69 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.74 3.95 0.00 2.01 1.88 0.00 3.31 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 44 D 9.17 4.69 0.00 2.80 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 45 K 8.02 4.05 0.00 1.47 1.11 0.00 1.56 0.00 0.00 1.49 0.00 0.00 2.62 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.48 7.81 46 E 8.29 4.40 0.00 1.78 1.67 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 2.16 2.25 0.00 47 F 8.56 4.98 0.00 2.81 2.92 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 48 K 8.91 4.35 0.00 1.95 1.92 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.43 7.81 49 S 7.60 4.84 0.00 4.07 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 50 F 9.21 4.06 0.00 3.14 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 51 D 7.84 4.54 0.00 2.80 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 52 D 8.30 4.41 0.00 3.02 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 53 F 7.95 2.69 0.00 2.63 2.59 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 54 R 7.63 3.30 0.00 1.75 2.04 0.00 3.35 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 55 K 7.86 4.26 0.00 1.85 1.87 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.14 7.81 56 A 7.61 3.95 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 57 V 7.12 3.04 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 0.19 0.00 0.00 -0.30 0.00 0.00 58 W 7.69 4.54 0.00 3.44 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 59 E 8.25 4.27 0.00 2.01 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 0.00 2.52 2.60 0.00 60 E 8.23 3.96 0.00 2.02 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 2.41 2.38 0.00 61 V 7.42 3.59 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 1.23 0.00 0.00 1.13 0.00 0.00 62 S 7.92 4.33 0.00 4.15 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 63 K 7.72 4.36 0.00 1.85 1.89 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.59 7.81 64 D 7.60 4.70 0.00 2.78 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 65 P 0.00 4.29 0.00 2.19 2.09 0.00 3.62 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 66 E 8.03 4.27 0.00 1.95 1.98 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 2.38 2.33 0.00 67 L 7.53 4.24 0.00 1.73 1.77 -0.21 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.89 4.63 0.00 4.04 3.95 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 69 K 7.40 4.09 0.00 1.74 1.81 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.56 7.81 70 N 9.00 4.60 0.00 2.92 3.00 0.00 0.00 7.03 7.78 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 71 L 7.24 3.97 0.00 2.12 1.71 1.01 1.06 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 72 N 8.63 4.61 0.00 3.01 2.98 0.00 0.00 6.18 7.76 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 73 P 0.00 4.24 0.00 2.19 2.19 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 74 S 8.25 4.10 0.00 3.91 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 75 N 8.61 4.50 0.00 3.11 2.87 0.00 0.00 7.14 7.11 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 76 K 8.09 4.00 0.00 2.08 1.89 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.66 7.81 77 S 7.90 4.18 0.00 4.00 3.97 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 78 S 8.22 4.18 0.00 4.04 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 79 V 8.17 3.84 2.56 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 0.89 0.00 0.00 1.13 0.00 0.00 80 S 7.94 4.15 0.00 4.14 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 81 K 8.01 4.35 0.00 2.06 1.92 0.00 1.87 0.00 0.00 1.89 0.00 0.00 3.12 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.70 7.81 82 G 8.31 3.83 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 0.00 0.00 0.00 83 Y 7.32 4.71 0.00 2.89 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 84 S 8.32 2.79 0.00 3.75 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 85 P 0.00 4.31 0.00 2.14 1.99 0.00 2.20 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.48 0.00 86 F 8.62 4.71 0.00 2.90 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 87 T 8.19 4.09 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 0.01 0.00 0.00 88 P 0.00 4.30 0.00 2.18 2.01 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 89 K 8.95 3.79 0.00 1.69 1.81 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.37 7.81 90 N 8.11 4.54 0.00 2.83 2.91 0.00 0.00 5.91 7.39 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 91 Q 8.12 4.44 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 92 Q 7.74 4.51 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 93 V 8.16 4.21 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 1.04 0.00 0.00 0.92 0.00 0.00 94 G 8.41 3.83 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 0.00 0.00 0.00 95 G 9.12 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 0.00 0.00 0.00 96 R 8.26 4.53 0.00 1.98 1.86 0.00 3.07 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 97 K 8.52 4.57 0.00 1.92 2.08 0.00 1.67 0.00 0.00 2.01 0.00 0.00 2.81 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.67 1.56 7.81 98 V 7.31 4.67 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 0.15 0.00 0.00 0.83 0.00 0.00 99 Y 7.84 4.38 0.00 2.93 3.14 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 0.00 100 E 9.51 4.80 0.00 1.87 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 2.29 2.45 0.00 101 L 8.97 4.84 0.00 1.93 1.93 0.82 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.52 4.67 0.00 2.95 3.33 0.00 5.77 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 0.00 103 A 8.26 4.12 1.11 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 0.00 0.00 104 D 9.20 4.27 0.00 2.73 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 0.00 105 K 9.20 4.15 0.00 1.80 1.82 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.41 1.36 7.81 106 P 0.00 4.30 0.00 2.24 2.19 0.00 3.74 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 107 I 8.42 3.86 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.42 0.84 0.00 0.00 108 S 8.09 4.32 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.81 4.56 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.24 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 110 G 8.42 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 0.00 111 G 7.77 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 0.00 112 E 8.53 4.19 0.00 2.04 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 2.40 2.29 0.00 113 V 8.49 3.45 1.73 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 0.27 0.00 0.00 0.85 0.00 0.00 114 Y 7.68 4.00 0.00 3.16 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.50 4.93 0.00 2.80 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 0.00 116 M 9.03 4.39 0.00 2.07 2.34 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.90 0.00 117 D 8.15 4.58 0.00 2.80 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 0.00 118 N 8.70 4.55 0.00 2.96 2.89 0.00 0.00 7.02 8.07 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 0.00 119 I 7.66 4.74 2.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.83 1.08 0.00 0.00 120 R 9.29 4.90 0.00 1.77 1.92 0.00 3.35 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 121 V 8.92 4.43 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 0.99 0.00 0.00 1.11 0.00 0.00 122 T 9.26 5.39 4.29 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 1.22 0.00 0.00 123 T 8.36 4.26 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 1.25 0.00 0.00 124 P 0.00 4.23 0.00 2.14 2.16 0.00 3.56 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 125 K 8.04 3.91 0.00 1.86 1.79 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.43 7.81 126 R 7.84 3.90 0.00 2.03 2.04 0.00 3.21 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 127 H 8.61 4.20 0.00 3.23 3.47 0.00 5.83 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 8.06 3.82 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.46 0.90 0.00 0.00 129 D 7.72 4.40 0.00 2.78 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 0.00 130 I 7.65 3.82 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.52 0.78 0.00 0.00 131 H 7.74 4.35 0.00 3.18 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00