NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.4220 8.3044 118.7950 54.4547 32.9891 175.1153 3 R 4.0554 8.3762 114.6761 56.4094 28.4778 175.8684 4 K 4.1420 8.8946 125.5479 53.5956 33.4271 175.5310 5 L 4.2455 8.2355 119.8157 55.3287 42.1874 176.7982 6 K 4.5738 8.3274 118.8234 55.5881 34.7741 176.5059 7 T 3.0961 7.8661 110.5668 64.1415 68.5407 174.0822 8 L 5.0557 9.0963 130.7352 53.8708 44.8365 170.2736 9 P 4.2825 0.0000 0.0000 62.4735 31.7875 175.7930 10 P 4.5898 0.0000 0.0000 63.5395 30.4462 177.0319 11 T 4.6048 8.3038 108.7203 61.4759 70.2011 174.4543 12 L 4.4356 7.8762 120.3167 55.4476 43.3114 176.9800 13 R 3.9257 7.9712 117.2581 56.4514 30.3368 175.5612 14 D 4.4568 8.5116 123.8682 54.4517 41.6704 175.7359 15 K 4.5394 8.5154 122.7014 55.3909 33.7903 175.4453 16 N 5.4784 8.7261 120.9919 51.5291 42.5563 173.7158 17 R 4.8277 8.2928 117.7794 54.8219 35.1295 173.9203 18 Y 5.0789 9.3034 119.1200 56.3219 41.3991 174.6443 19 I 4.9190 8.9916 124.2260 59.5287 40.2060 174.2763 20 A 5.0235 8.6315 128.9688 50.3399 21.0580 175.8651 21 F 5.3237 8.4470 116.5382 55.1540 42.3576 173.0957 22 E 5.0536 9.3623 119.3920 54.5514 33.1952 173.9181 23 I 4.8666 8.9658 127.3260 59.8553 39.1251 175.0047 24 I 4.5804 8.7989 128.9744 60.0922 38.7562 175.1001 25 S 4.8798 8.4207 119.8119 58.4373 64.8497 175.3878 26 D 4.5603 9.0650 120.0376 56.2052 41.3090 177.8664 27 G 3.8406 7.7234 106.0301 44.4670 0.0000 172.8859 28 D 4.8211 8.0995 120.4360 53.5322 42.0007 175.9729 29 F 5.0975 8.4800 118.0832 55.4736 43.1124 175.3723 30 T 4.7443 8.9820 114.7433 60.2672 71.9197 176.1161 31 K 4.1651 8.7640 120.9436 60.1462 32.0285 179.2617 32 D 4.4137 8.1406 118.4280 57.3488 40.7832 178.5086 33 E 4.1508 8.2270 118.8102 59.4439 29.5160 179.5753 34 V 3.1271 7.5335 118.1793 65.5512 31.5903 177.9881 35 K 3.7534 7.9159 119.4466 59.3564 31.9723 178.4682 36 E 4.0121 8.2852 119.9297 59.1972 29.6311 178.7855 37 L 3.4065 7.4971 120.2270 58.4642 40.2643 179.4223 38 I 3.4441 7.3140 120.7102 63.8557 36.9605 178.3738 39 W 4.0732 7.8820 119.5095 59.4905 28.9499 178.4825 40 K 3.9874 8.3389 119.7400 59.7008 31.6593 178.8753 41 S 4.0758 8.1521 113.4531 61.1742 62.2742 175.9687 42 S 4.0464 8.0585 115.9327 61.4859 62.1664 176.1776 43 L 4.1684 8.1997 121.7136 57.5991 41.0710 179.2812 44 E 3.8947 7.8383 117.9889 59.3396 29.8206 178.6754 45 V 3.7869 8.0401 117.2469 65.3372 32.0788 177.0765 46 L 4.5921 8.5659 117.4191 53.1705 42.7613 177.5927 47 G 4.7878 7.9163 107.0878 44.3459 0.0000 174.2334 48 E 4.0200 8.5582 117.0862 59.6169 29.3884 179.9023 49 T 3.9427 7.8714 115.3888 66.7019 68.6350 177.0177 50 G 3.9812 7.9105 108.3625 47.5464 0.0000 175.6882 51 T 3.8957 8.1495 117.8091 66.3867 68.2355 176.7123 52 A 4.0366 7.6607 121.4301 54.6322 18.3946 179.6096 53 I 3.6893 7.1356 117.7169 64.5075 37.6028 178.4404 54 V 3.5442 7.9195 119.2921 63.3965 31.8865 175.8694 55 K 3.9810 8.2209 116.7749 56.2361 29.8944 174.0898 56 P 4.2557 0.0000 0.0000 62.9769 32.2007 176.6836 57 W 4.6534 8.7436 132.9004 55.8591 33.8688 173.3907 58 L 4.2212 7.8419 130.6532 55.5265 41.4245 176.5555 59 I 4.2595 9.0210 128.7579 63.9122 37.8553 176.4921 60 K 4.6264 7.7887 119.7082 55.5869 35.4906 173.5011 61 F 5.3576 8.8504 127.1442 56.6107 42.6888 173.3477 62 D 4.2489 8.6344 126.5213 51.8628 41.2648 174.9658 63 P 4.0834 0.0000 0.0000 65.4066 31.8135 177.8671 64 N 4.3659 8.2817 116.0007 56.6417 38.7788 175.5454 65 T 4.3417 7.8918 104.6252 60.6550 69.8604 174.3133 66 K 3.8799 7.8956 121.7119 58.3017 30.3103 174.5847 67 T 4.8067 7.0419 106.5737 60.3128 72.7625 173.0730 68 G 4.1295 7.3271 108.3162 45.9189 0.0000 171.7616 69 I 5.2565 9.0668 120.5365 59.2764 40.5086 175.5513 70 V 4.9383 9.1706 126.5985 59.9453 34.3990 174.8690 71 R 4.9084 9.3626 125.0429 55.4921 32.2846 174.9016 72 S 4.9835 8.3260 117.2879 56.5378 67.3217 172.6969 73 D 4.6178 9.2845 121.2095 54.6730 41.4652 177.1252 74 R 3.8497 8.8894 126.4324 59.6812 30.0413 177.1150 75 E 4.2386 8.4452 113.7265 56.9839 29.8641 176.1561 76 Y 4.8731 7.8241 116.6108 57.1575 39.3182 177.7191 77 V 3.6330 8.2384 122.2091 66.5844 31.3936 177.3869 78 E 3.9174 8.1648 117.3824 59.3084 29.3000 178.7263 79 Y 4.0037 8.1343 117.1921 60.7095 37.9535 177.8007 80 L 4.0274 8.0146 121.0337 57.9934 42.3308 178.7237 81 R 3.8387 8.3358 119.0927 59.1559 30.0221 178.3909 82 F 4.1906 8.2475 120.3687 61.2750 39.2398 176.9874 83 A 3.7701 7.8581 119.0406 55.1204 18.5345 179.3219 84 L 3.8567 7.9298 117.5238 58.0009 41.4293 179.3796 85 M 3.9919 7.7674 117.2602 58.3282 32.2574 177.5993 86 L 4.0404 7.2303 116.5739 54.6349 42.1643 177.3168 87 V 3.7677 6.9707 120.1238 62.5535 32.1919 175.6199 88 S 4.6672 8.3091 119.7933 58.5744 65.0889 173.3654 89 E 5.2830 7.7704 115.0467 55.7275 31.6576 174.4587 90 F 4.7795 9.0238 122.0031 58.2543 42.7372 174.2027 91 N 4.0102 9.0067 124.7907 54.3823 35.8871 175.2965 92 G 3.8725 8.3207 103.2310 45.5014 0.0000 173.7061 93 K 4.5430 7.8372 120.1656 54.2111 33.8320 176.3127 94 R 4.6500 8.5430 123.3319 56.4645 30.7746 175.3828 95 L 4.8354 8.1504 119.5142 55.3223 44.0719 174.2150 96 I 4.5978 8.6872 119.9961 59.6875 40.7988 174.5439 97 I 4.7209 8.3734 127.7139 59.8280 38.7387 175.0274 98 R 4.6103 8.9769 127.1685 54.7202 33.0072 174.2568 99 T 4.5574 8.5196 123.1261 63.3530 68.7537 174.6662 100 L 4.1360 8.8829 127.2981 56.6557 42.9489 176.7796 101 G 2.5432 6.6792 103.7793 45.4847 0.0000 172.2222 102 V 5.1273 7.9915 118.4726 61.3558 34.8600 174.0857 103 S 4.7574 9.1499 119.9925 57.0435 65.9738 174.9499 104 G 4.0871 8.9483 111.7557 47.4813 0.0000 174.3910 105 T 4.7429 7.7892 109.2336 59.0596 73.1663 175.0363 106 I 3.3323 7.5262 122.6088 64.1585 37.1607 178.5268 107 K 3.8566 7.8591 119.9848 59.6918 32.0479 178.9084 108 R 3.8802 7.9027 118.1957 58.9359 29.9522 178.6161 109 L 4.0960 7.8878 120.1874 58.2189 42.0342 179.1275 110 K 3.7747 8.1335 118.3315 59.4916 31.8310 179.0017 111 R 3.8389 7.6181 117.5959 59.2437 30.0621 177.9209 112 K 4.0283 7.6152 115.4878 57.4767 33.1726 177.0974 113 F 4.9943 8.0469 116.5489 57.1597 41.4110 175.6968 114 L 4.7246 7.7277 117.7670 54.5089 43.6691 178.0402 115 A 4.0769 8.3104 121.5220 55.2236 17.9470 179.2762 116 K 3.8958 8.1372 116.4692 59.5771 32.0821 177.2415 117 Y 4.5882 8.0458 114.9146 57.3456 37.9943 175.7946 118 G 3.9418 8.5021 107.6171 46.4162 0.0000 176.0502 119 W 3.8514 8.6988 121.8242 58.5372 29.5909 177.2147 120 K 4.2636 8.2529 123.5331 55.1683 31.0414 176.6966 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 2 M 8.30 4.42 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 3 R 8.38 4.06 0.00 1.85 1.90 0.00 3.38 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 4 K 8.89 4.14 0.00 1.81 1.59 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.04 7.81 5 L 8.24 4.25 0.00 1.62 1.66 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.33 4.57 0.00 1.73 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.39 7.81 7 T 7.87 3.10 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 1.21 0.00 0.00 8 L 9.10 5.06 0.00 1.68 1.66 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.28 0.00 2.21 1.99 0.00 3.65 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 2.12 2.11 0.00 10 P 0.00 4.59 0.00 2.18 2.15 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 11 T 8.30 4.60 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 1.21 0.00 0.00 12 L 7.88 4.44 0.00 1.64 1.74 0.92 0.87 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 13 R 7.97 3.93 0.00 2.10 1.86 0.00 3.25 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 14 D 8.51 4.46 0.00 2.67 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 0.00 0.00 0.00 0.00 15 K 8.52 4.54 0.00 1.71 1.72 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.46 7.81 16 N 8.73 5.48 0.00 2.34 2.23 0.00 0.00 6.86 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 17 R 8.29 4.83 0.00 1.67 1.72 0.00 3.29 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 18 Y 9.30 5.08 0.00 2.92 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 19 I 8.99 4.92 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.82 0.92 0.00 0.00 20 A 8.63 5.02 1.03 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 21 F 8.45 5.32 0.00 3.13 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 22 E 9.36 5.05 0.00 1.77 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 2.22 2.23 0.00 23 I 8.97 4.87 2.06 0.00 0.00 0.51 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 0.98 0.84 0.00 0.00 24 I 8.80 4.58 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 1.34 0.72 0.96 0.00 0.00 25 S 8.42 4.88 0.00 4.18 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 26 D 9.06 4.56 0.00 2.71 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 27 G 7.72 3.84 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 0.00 0.00 0.00 28 D 8.10 4.82 0.00 2.65 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 29 F 8.48 5.10 0.00 3.07 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 30 T 8.98 4.74 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 1.29 0.00 0.00 31 K 8.76 4.17 0.00 1.92 2.05 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.94 1.71 7.81 32 D 8.14 4.41 0.00 2.75 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 33 E 8.23 4.15 0.00 2.43 2.40 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 2.64 2.49 0.00 34 V 7.53 3.13 1.77 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 0.64 0.00 0.00 -0.24 0.00 0.00 35 K 7.92 3.75 0.00 1.91 1.92 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.52 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.56 1.29 7.81 36 E 8.29 4.01 0.00 2.26 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 2.53 2.42 0.00 37 L 7.50 3.41 0.00 1.14 0.13 0.50 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.31 3.44 1.66 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.41 0.53 0.00 0.00 39 W 7.88 4.07 0.00 3.51 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 40 K 8.34 3.99 0.00 2.00 2.03 0.00 1.88 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.53 7.81 41 S 8.15 4.08 0.00 3.82 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 42 S 8.06 4.05 0.00 3.90 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 43 L 8.20 4.17 0.00 1.95 1.76 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.84 3.89 0.00 2.00 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 0.00 2.33 2.32 0.00 45 V 8.04 3.79 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 0.97 0.00 0.00 0.87 0.00 0.00 46 L 8.57 4.59 0.00 1.81 1.67 0.96 1.13 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 47 G 7.92 4.79 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 0.00 0.00 0.00 48 E 8.56 4.02 0.00 2.03 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 2.42 2.43 0.00 49 T 7.87 3.94 4.21 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 1.16 0.00 0.00 50 G 7.91 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 51 T 8.15 3.90 4.54 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 1.48 0.00 0.00 52 A 7.66 4.04 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 53 I 7.14 3.69 1.63 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.58 -0.06 0.00 0.00 54 V 7.92 3.54 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 1.05 0.00 0.00 0.83 0.00 0.00 55 K 8.22 3.98 0.00 1.87 1.82 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.59 7.81 56 P 0.00 4.26 0.00 1.43 1.71 0.00 3.39 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.93 0.00 57 W 8.74 4.65 0.00 3.37 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 58 L 7.84 4.22 0.00 1.45 1.28 1.19 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 59 I 9.02 4.26 2.22 0.00 0.00 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 1.45 1.32 1.09 0.00 0.00 60 K 7.79 4.63 0.00 1.97 1.99 0.00 1.65 0.00 0.00 1.47 0.00 0.00 2.25 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.39 1.41 7.81 61 F 8.85 5.36 0.00 3.09 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 62 D 8.63 4.25 0.00 2.08 2.39 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 63 P 0.00 4.08 0.00 2.06 2.36 0.00 3.56 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.25 0.00 64 N 8.28 4.37 0.00 2.59 2.91 0.00 0.00 6.91 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 65 T 7.89 4.34 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 1.37 0.00 0.00 66 K 7.90 3.88 0.00 2.12 2.23 0.00 1.74 0.00 0.00 2.03 0.00 0.00 3.15 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.67 1.49 7.81 67 T 7.04 4.81 3.84 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 0.54 0.00 0.00 68 G 7.33 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 0.00 0.00 0.00 0.00 69 I 9.07 5.26 1.97 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 0.95 0.25 1.06 0.00 0.00 70 V 9.17 4.94 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 0.88 0.00 0.00 0.84 0.00 0.00 71 R 9.36 4.91 0.00 2.01 2.06 0.00 2.95 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 0.00 72 S 8.33 4.98 0.00 3.89 3.84 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 73 D 9.28 4.62 0.00 3.00 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 74 R 8.89 3.85 0.00 1.82 1.97 0.00 3.30 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 75 E 8.45 4.24 0.00 1.91 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 2.19 2.20 0.00 76 Y 7.82 4.87 0.00 3.09 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 77 V 8.24 3.63 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 1.14 0.00 0.00 0.98 0.00 0.00 78 E 8.16 3.92 0.00 1.78 1.77 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 2.33 2.24 0.00 79 Y 8.13 4.00 0.00 3.43 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 80 L 8.01 4.03 0.00 1.77 1.80 0.79 0.79 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 81 R 8.34 3.84 0.00 1.87 2.13 0.00 3.12 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 82 F 8.25 4.19 0.00 3.13 3.22 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 83 A 7.86 3.77 1.30 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 84 L 7.93 3.86 0.00 1.70 1.49 0.65 0.29 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 M 7.77 3.99 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 86 L 7.23 4.04 0.00 1.38 1.48 0.22 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 87 V 6.97 3.77 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 0.67 0.00 0.00 0.84 0.00 0.00 88 S 8.31 4.67 0.00 3.99 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 89 E 7.77 5.28 0.00 2.26 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 2.16 2.28 0.00 90 F 9.02 4.78 0.00 3.10 3.22 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 91 N 9.01 4.01 0.00 2.76 2.70 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 92 G 8.32 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 93 K 7.84 4.54 0.00 1.91 1.67 0.00 1.17 0.00 0.00 1.38 0.00 0.00 2.87 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.23 1.25 7.81 94 R 8.54 4.65 0.00 1.86 1.91 0.00 3.27 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 95 L 8.15 4.84 0.00 1.78 1.81 0.48 0.85 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 96 I 8.69 4.60 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 0.91 0.00 0.00 97 I 8.37 4.72 1.86 0.00 0.00 0.51 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 0.35 0.70 0.00 0.00 98 R 8.98 4.61 0.00 1.83 1.75 0.00 3.11 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 99 T 8.52 4.56 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 1.13 0.00 0.00 100 L 8.88 4.14 0.00 1.27 1.67 0.66 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 101 G 6.68 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 0.00 0.00 0.00 102 V 7.99 5.13 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 0.87 0.00 0.00 0.86 0.00 0.00 103 S 9.15 4.76 0.00 4.08 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 0.00 104 G 8.95 4.09 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 0.00 105 T 7.79 4.74 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 1.25 0.00 0.00 106 I 7.53 3.33 1.60 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.36 0.83 0.00 0.00 107 K 7.86 3.86 0.00 1.79 1.77 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.53 7.81 108 R 7.90 3.88 0.00 1.93 1.95 0.00 3.21 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 1.63 1.62 0.00 109 L 7.89 4.10 0.00 1.97 1.82 1.20 0.74 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 0.00 110 K 8.13 3.77 0.00 1.98 1.88 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.28 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.58 7.81 111 R 7.62 3.84 0.00 1.88 2.04 0.00 3.21 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 112 K 7.62 4.03 0.00 1.30 1.56 0.00 1.49 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.96 0.21 7.81 113 F 8.05 4.99 0.00 3.06 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 0.00 114 L 7.73 4.72 0.00 1.29 0.74 -0.32 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.31 4.08 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 0.00 116 K 8.14 3.90 0.00 1.66 1.75 0.00 1.63 0.00 0.00 1.35 0.00 0.00 2.54 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.75 1.30 7.81 117 Y 8.05 4.59 0.00 3.35 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 0.00 118 G 8.50 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 0.00 0.00 0.00 119 W 8.70 3.85 0.00 3.34 3.36 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 0.00 120 K 8.25 4.26 0.00 1.86 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 0.98 7.81