NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2634 8.1227 123.5771 51.5735 20.2308 177.2202 2 I 3.3878 8.2440 120.2813 62.7361 37.8404 175.9395 3 T 5.1571 8.4539 107.5111 62.1091 69.6575 174.4622 4 D 4.5447 8.2727 123.2156 56.5490 41.1074 177.1752 5 I 4.4597 7.8499 117.8380 61.0121 39.9268 175.6717 6 L 4.8672 7.5648 118.5271 52.3343 44.8323 175.4343 7 S 4.6252 8.4501 115.6725 57.9349 64.1813 175.3031 8 A 4.0845 8.6481 130.2650 54.9856 18.2067 179.8613 9 K 3.9330 7.9840 118.0684 59.7724 32.3145 178.8321 10 D 4.3587 8.0424 118.7363 57.4581 40.7153 178.6508 11 I 3.6678 7.9386 120.3474 64.0806 36.9638 178.0708 12 E 3.9361 8.2175 120.1789 59.5471 29.3215 178.9611 13 S 4.0973 7.8801 113.4050 61.5562 62.9964 176.4417 14 A 4.0686 8.0003 123.2065 55.2994 17.6172 179.8159 15 L 4.1486 8.3058 117.6850 57.9769 41.4133 179.8830 16 S 4.2328 8.3433 115.2396 61.0531 62.8278 175.9772 17 S 4.6229 7.7596 115.0274 58.5775 63.5885 174.1228 18 C 5.2320 7.4884 116.4407 56.9788 29.8407 175.5815 19 Q 4.0803 8.4223 121.2469 59.6936 28.8601 177.2405 20 A 4.2405 7.8124 120.0909 50.9255 19.4091 176.4140 21 A 3.9748 8.4231 123.8943 53.9742 18.7854 177.3600 22 D 4.6037 8.9339 120.7269 55.4445 38.1687 174.7767 23 S 4.6011 7.7627 112.8052 57.8955 63.8849 173.6009 24 F 4.3581 8.2935 125.0112 58.1107 39.6998 174.2273 25 N 4.3472 7.6388 125.0964 51.0315 41.6396 174.5634 26 Y 2.9310 7.2845 126.6180 59.5469 38.0353 178.3849 27 K 3.8491 6.5979 119.7593 59.1369 32.1870 179.2904 28 S 3.9656 7.7975 115.4025 61.4192 62.6806 176.5082 29 F 3.9424 7.9447 123.3142 61.3844 39.1876 177.0222 30 F 4.7119 8.3586 117.7401 60.7749 38.8299 177.6048 31 S 4.1088 8.1653 112.5875 61.8880 62.0575 176.4470 32 T 3.8451 7.5932 116.8817 66.6238 68.3079 176.8535 33 V 3.7405 7.5077 112.5125 62.1711 31.5265 177.1654 34 G 3.8991 7.7015 106.4257 45.7985 0.0000 174.4456 35 L 4.2526 8.1971 124.1342 56.7655 42.4198 179.1980 36 S 4.1578 8.1835 112.7160 60.6971 62.9996 174.8811 37 S 4.5950 7.9402 113.1894 57.8200 63.0737 174.0000 38 K 4.4741 7.6835 120.8869 56.0224 33.1085 177.1361 39 T 4.3349 8.8530 112.0377 60.5245 71.0999 173.9058 40 P 4.2494 0.0000 0.0000 66.1482 31.2736 178.6879 41 D 4.3405 8.0123 116.8655 57.5151 40.8836 178.6742 42 Q 4.0436 7.8425 118.6058 59.1347 28.7260 178.9848 43 I 3.9615 8.2864 121.2250 64.2390 36.9955 178.6989 44 K 4.0906 8.3975 119.9419 59.0319 31.8498 179.3290 45 K 3.9212 8.2740 120.0766 59.5349 32.1925 178.8078 46 V 3.5548 7.8927 118.5240 66.1512 31.3507 177.6481 47 F 3.5385 8.3827 120.2754 61.1082 38.9506 177.2482 48 G 3.6395 8.2246 104.5211 47.9290 0.0000 175.4262 49 I 3.8011 7.4802 121.1706 64.0907 37.2026 178.2673 50 L 4.1721 7.4011 118.8776 56.7457 42.9798 178.3871 51 D 4.5485 7.4990 119.5531 53.2720 37.7576 176.3209 52 Q 3.8896 7.8968 122.1872 58.3324 29.3526 177.3511 53 D 4.5652 8.2248 114.2809 52.4955 39.8880 176.0964 54 K 3.9875 7.5893 118.1290 57.8845 29.8273 176.4474 55 S 4.3202 8.4253 113.0983 59.0875 63.6683 175.2013 56 G 3.8710 9.3524 110.0645 44.9864 0.0000 172.8420 57 F 5.2380 7.6274 116.5526 55.8578 43.5766 174.9751 58 I 4.5075 9.0184 122.0127 59.2861 37.8139 175.4675 59 E 4.4882 8.8124 129.3228 56.1058 30.9743 178.3979 60 E 3.9190 9.0620 121.3690 61.7124 29.3892 180.6483 61 E 4.1996 8.0878 116.6785 59.1344 29.7636 178.5682 62 E 4.0973 8.3578 119.8636 58.8255 29.5350 178.7622 63 L 3.9828 7.6979 120.1460 58.0099 42.2219 178.7635 64 Q 4.1118 8.3596 118.0754 58.0185 28.6042 177.5015 65 L 4.5634 7.3507 118.7741 54.3089 41.9485 177.7298 66 F 4.1438 7.9807 123.3188 61.9555 39.2354 177.4496 67 L 3.9332 8.0367 117.5543 57.7665 41.2497 179.5329 68 K 4.3327 7.8547 117.0580 59.1161 31.9693 178.7244 69 N 4.3407 7.8851 115.9614 55.5293 38.3898 176.1030 70 F 4.3953 8.1086 118.3013 59.0492 39.9743 176.4639 71 S 4.5924 7.8817 115.1578 56.5210 64.8411 174.5811 72 S 4.3522 8.8604 122.8113 61.1194 62.7693 175.1866 73 S 4.3557 7.6158 114.6553 59.0028 62.9224 174.3153 74 A 4.2925 7.9589 124.5038 51.5031 18.7784 177.6161 75 R 4.2521 8.1443 116.1991 55.4764 30.6236 176.5445 76 V 3.9747 7.9689 119.0849 62.7823 32.2172 175.7416 77 L 4.4612 8.4000 127.4508 54.6235 42.4533 177.0710 78 T 4.1410 9.4715 113.0505 61.4951 70.0351 175.7775 79 S 4.1149 8.8025 117.6342 61.6095 62.7613 176.8471 80 A 3.9954 7.9349 122.9233 55.1759 18.2672 179.2884 81 E 3.9884 8.3008 117.0664 60.0408 29.5057 179.7936 82 T 3.9646 8.3038 116.0743 66.3867 68.3884 176.6294 83 K 3.9183 8.4419 121.5724 59.6172 32.3080 178.7614 84 A 4.0538 8.2442 121.0762 54.9727 18.3607 179.3664 85 F 4.3285 8.4288 119.2321 61.5535 39.5899 176.9648 86 L 3.8724 8.3225 119.9355 58.2194 41.6310 178.7345 87 A 4.0436 8.1933 119.5095 55.3361 18.3909 179.2395 88 A 4.2593 8.1738 118.3155 54.7250 18.5203 179.3381 89 G 3.9007 7.7385 102.5987 45.8120 0.0000 174.7978 90 D 4.8453 8.2211 121.9492 53.4364 38.7329 175.7914 91 T 4.1189 8.0644 112.5003 62.9482 69.8529 176.0575 92 D 4.7061 8.3583 120.3890 51.9889 39.7670 176.2571 93 G 4.0046 7.8174 107.4796 47.0917 0.0000 173.9155 94 D 4.5413 8.1838 114.8283 52.6348 39.9757 177.4412 95 G 3.8672 9.5490 111.3649 45.9606 0.0000 173.4133 96 K 4.7833 8.3016 121.5888 53.6821 36.7470 180.4009 97 I 4.7021 8.7681 118.5185 61.1947 39.4601 176.7280 98 G 4.3769 9.6395 115.5555 44.8707 0.0000 175.0345 99 V 2.6277 7.7881 119.2880 64.5072 31.1629 178.3366 100 E 3.9466 7.9306 118.7088 59.1414 29.3909 179.0117 101 E 4.0626 8.1530 118.2651 59.2407 29.6134 178.9903 102 F 4.2914 8.5524 120.9182 61.4165 39.5283 177.2095 103 Q 3.9421 8.2491 117.8110 58.9530 28.2434 178.8316 104 S 4.1176 7.7120 113.0269 61.2201 62.5183 175.7234 105 L 4.2396 7.7498 120.6813 57.9273 41.4811 179.5440 106 V 3.4553 7.2648 116.5134 65.6471 31.5735 176.4359 107 K 4.2951 8.2768 121.5337 56.5708 32.2206 176.5197 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 A 8.12 4.26 1.26 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 0.00 0.00 2 I 8.24 3.39 1.75 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.21 0.93 0.00 0.00 3 T 8.45 5.16 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 1.24 0.00 0.00 4 D 8.27 4.54 0.00 2.77 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 5 I 7.85 4.46 1.91 0.00 0.00 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 1.32 0.63 0.96 0.00 0.00 6 L 7.56 4.87 0.00 1.78 1.62 1.27 1.00 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 7 S 8.45 4.63 0.00 3.90 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 8 A 8.65 4.08 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 9 K 7.98 3.93 0.00 1.92 1.82 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.52 7.81 10 D 8.04 4.36 0.00 2.89 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 11 I 7.94 3.67 2.10 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 1.59 0.88 1.11 0.00 0.00 12 E 8.22 3.94 0.00 2.19 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 0.00 2.33 2.38 0.00 13 S 7.88 4.10 0.00 4.00 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 14 A 8.00 4.07 0.98 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 15 L 8.31 4.15 0.00 1.90 1.83 1.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.34 4.23 0.00 4.01 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 17 S 7.76 4.62 0.00 3.99 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 18 C 7.49 5.23 0.00 3.23 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 19 Q 8.42 4.08 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 20 A 7.81 4.24 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 21 A 8.42 3.97 1.26 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 0.00 0.00 22 D 8.93 4.60 0.00 2.87 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 23 S 7.76 4.60 0.00 3.95 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 24 F 8.29 4.36 0.00 2.95 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 25 N 7.64 4.35 0.00 2.44 2.24 0.00 0.00 6.97 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 26 Y 7.28 2.93 0.00 1.99 1.76 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 27 K 6.60 3.85 0.00 1.55 1.69 0.00 1.35 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 0.29 7.81 28 S 7.80 3.97 0.00 3.81 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 29 F 7.94 3.94 0.00 2.99 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 30 F 8.36 4.71 0.00 3.20 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 31 S 8.17 4.11 0.00 3.91 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 32 T 7.59 3.85 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 1.18 0.00 0.00 33 V 7.51 3.74 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 -0.28 0.00 0.00 0.98 0.00 0.00 34 G 7.70 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 35 L 8.20 4.25 0.00 1.93 1.71 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.18 4.16 0.00 4.04 4.05 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 37 S 7.94 4.59 0.00 4.00 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 38 K 7.68 4.47 0.00 1.92 1.91 0.00 1.96 0.00 0.00 1.77 0.00 0.00 3.24 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.72 1.56 7.81 39 T 8.85 4.33 4.25 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 0.00 0.00 1.22 0.00 0.00 40 P 0.00 4.25 0.00 2.17 2.34 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 41 D 8.01 4.34 0.00 2.69 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 42 Q 7.84 4.04 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 43 I 8.29 3.96 2.06 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.89 1.07 0.00 0.00 44 K 8.40 4.09 0.00 2.01 1.85 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.64 7.81 45 K 8.27 3.92 0.00 1.85 2.01 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 46 V 7.89 3.55 2.49 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 1.20 0.00 0.00 1.09 0.00 0.00 47 F 8.38 3.54 0.00 2.99 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 48 G 8.22 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.48 3.80 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 0.74 0.00 0.00 50 L 7.40 4.17 0.00 1.33 1.46 0.71 1.17 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 51 D 7.50 4.55 0.00 2.08 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.90 3.89 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 53 D 8.22 4.57 0.00 2.76 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 54 K 7.59 3.99 0.00 1.95 1.91 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.32 7.81 55 S 8.43 4.32 0.00 4.11 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 0.00 56 G 9.35 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 57 F 7.63 5.24 0.00 3.12 2.96 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 58 I 9.02 4.51 1.83 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.78 0.79 0.00 0.00 59 E 8.81 4.49 0.00 2.10 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 2.36 0.00 60 E 9.06 3.92 0.00 1.97 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 2.32 1.97 0.00 61 E 8.09 4.20 0.00 2.09 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 0.00 2.25 2.33 0.00 62 E 8.36 4.10 0.00 2.17 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 0.00 2.26 2.26 0.00 63 L 7.70 3.98 0.00 1.64 1.73 0.25 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.36 4.11 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 65 L 7.35 4.56 0.00 1.75 1.65 0.93 0.85 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 66 F 7.98 4.14 0.00 3.30 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 0.00 67 L 8.04 3.93 0.00 1.88 1.72 0.91 0.48 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 68 K 7.85 4.33 0.00 1.93 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.49 7.81 69 N 7.89 4.34 0.00 2.31 2.44 0.00 0.00 6.96 6.98 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 70 F 8.11 4.40 0.00 3.26 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 71 S 7.88 4.59 0.00 3.89 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 72 S 8.86 4.35 0.00 4.02 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 73 S 7.62 4.36 0.00 3.94 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 74 A 7.96 4.29 1.40 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 0.00 0.00 75 R 8.14 4.25 0.00 1.94 1.96 0.00 3.05 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 76 V 7.97 3.97 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 0.83 0.00 0.00 0.93 0.00 0.00 77 L 8.40 4.46 0.00 1.52 1.48 0.54 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 78 T 9.47 4.14 4.25 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 0.00 0.00 1.29 0.00 0.00 79 S 8.80 4.11 0.00 3.89 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 80 A 7.93 4.00 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 81 E 8.30 3.99 0.00 2.28 2.04 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 2.44 2.58 0.00 82 T 8.30 3.96 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 1.21 0.00 0.00 83 K 8.44 3.92 0.00 1.91 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 84 A 8.24 4.05 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 85 F 8.43 4.33 0.00 3.27 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 86 L 8.32 3.87 0.00 1.76 1.82 0.90 1.40 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 87 A 8.19 4.04 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 88 A 8.17 4.26 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.74 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 90 D 8.22 4.85 0.00 2.65 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 91 T 8.06 4.12 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 92 D 8.36 4.71 0.00 2.82 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 93 G 7.82 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 0.00 0.00 0.00 94 D 8.18 4.54 0.00 2.73 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 95 G 9.55 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 96 K 8.30 4.78 0.00 1.47 1.54 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.66 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.28 1.27 7.81 97 I 8.77 4.70 1.97 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.72 1.15 0.00 0.00 98 G 9.64 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 0.00 0.00 0.00 0.00 99 V 7.79 2.63 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 0.56 0.00 0.00 0.48 0.00 0.00 100 E 7.93 3.95 0.00 2.07 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 2.37 2.41 0.00 101 E 8.15 4.06 0.00 2.29 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 2.50 2.42 0.00 102 F 8.55 4.29 0.00 3.48 3.33 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 0.00 103 Q 8.25 3.94 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 104 S 7.71 4.12 0.00 3.92 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 7.75 4.24 0.00 1.79 1.89 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.26 3.46 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 0.60 0.00 0.00 -0.16 0.00 0.00 107 K 8.28 4.30 0.00 1.79 1.70 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.57 7.81