NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8454 8.3549 109.7417 45.4282 0.0000 173.9252 2 S 4.2290 8.5365 120.8661 56.6500 61.8954 171.2857 3 Y 4.2039 8.5488 126.9877 56.7936 40.3945 174.6073 4 I 4.0414 8.0449 127.1544 62.7036 38.7724 173.9422 5 P 4.6900 0.0000 0.0000 62.4993 31.9864 175.7420 6 G 4.1690 8.4432 106.3024 45.4897 0.0000 172.7628 7 Q 4.3973 8.2235 120.8876 53.5966 30.3604 171.5336 8 P 4.1686 0.0000 0.0000 64.0610 31.4706 176.7675 9 V 4.3516 8.0425 109.0127 62.4575 36.9496 176.4998 10 T 4.0824 8.0325 111.5103 63.8936 67.7801 174.6681 11 A 4.4337 7.6862 122.3824 51.1709 20.1228 176.1030 12 V 4.5459 8.1449 120.8909 60.9388 34.3347 174.5841 13 V 4.7523 8.4660 127.9429 60.8380 32.7684 175.3005 14 Q 4.7855 9.4564 122.6863 54.2705 32.2228 174.3688 15 R 4.9130 8.5318 116.9445 55.3079 31.6452 175.4845 16 V 4.4978 8.9259 119.9016 61.2941 35.6653 174.3824 17 E 5.2210 8.4453 124.9495 53.9694 31.7656 174.0241 18 I 4.3123 8.3468 128.4478 60.6455 38.8127 174.8589 19 H 5.2853 8.7043 124.1512 53.5560 30.8531 174.7975 20 K 3.8418 7.7266 118.7237 57.3204 32.8416 175.3655 21 L 4.6607 8.5463 126.8675 53.1286 44.6666 175.1888 22 R 4.8202 8.7050 125.9262 55.2948 31.0238 176.2597 23 Q 4.4430 8.8602 125.2425 54.6076 31.0393 178.1443 24 G 3.9213 8.9667 116.0406 46.8759 0.0000 173.2749 25 E 4.6274 9.4102 117.6888 55.6623 30.7677 174.6002 26 N 5.0262 8.2975 116.7691 51.2247 41.7983 172.9553 27 L 5.1186 8.2293 120.8193 53.4562 43.9295 175.4577 28 I 4.6587 8.6488 125.7147 59.7419 41.1512 175.6848 29 L 4.3847 8.2578 120.1873 55.0536 41.9380 176.6188 30 G 4.3244 8.3970 111.1230 45.2488 0.0000 173.9585 31 F 4.8216 7.5416 112.8584 55.7014 39.9233 174.6342 32 S 4.9381 9.7623 115.8565 56.6551 66.8867 173.0452 33 I 5.1685 8.3427 113.8146 59.5202 40.1219 175.1267 34 G 4.1331 8.9257 108.7864 45.8010 0.0000 173.2305 35 G 4.3650 7.4681 105.8815 43.8782 0.0000 176.6344 36 G 4.4234 8.4070 107.0817 45.3091 0.0000 177.7285 37 I 3.8852 8.7448 120.2752 62.8305 37.6663 176.2385 38 D 4.4733 8.0819 119.1465 55.5347 41.3760 175.3345 39 Q 4.6115 7.8072 116.9020 54.8258 31.3322 174.7689 40 D 4.8376 8.2730 119.5221 51.9504 41.2942 175.9192 41 P 4.6162 0.0000 0.0000 65.3728 31.2723 177.3616 42 S 4.3896 7.9995 111.9172 59.6767 62.4657 174.3008 43 Q 4.5740 8.4343 117.5066 56.6329 29.0510 173.9237 44 N 5.0567 8.0519 115.4595 51.5660 40.9813 174.3670 45 P 3.8509 0.0000 0.0000 65.1239 31.4795 177.1844 46 F 4.5487 7.4274 113.1232 56.7270 39.7921 175.2195 47 S 4.5297 7.4078 114.8429 57.7574 62.7306 175.1965 48 E 3.9245 7.4260 117.0767 59.6351 29.4954 177.9955 49 D 4.3827 7.9900 118.8999 56.3131 41.9235 175.5790 50 K 4.6272 7.6565 117.6337 54.7518 34.6594 177.0697 51 T 4.3694 8.5041 112.4947 62.3748 69.2304 174.7433 52 D 4.3720 8.0162 120.8509 54.3086 41.6104 176.6585 53 K 3.6875 7.8509 116.1163 57.4435 32.1525 173.3294 54 G 4.4236 8.0400 105.1950 44.1693 0.0000 171.9838 55 I 4.2346 8.0686 122.4595 60.3093 38.2942 174.8480 56 Y 5.2838 7.2873 123.7489 54.9208 42.1539 174.4459 57 V 4.5045 8.2019 121.2842 63.2323 32.2018 176.4694 58 T 4.6771 8.7700 117.3449 62.5998 70.7211 174.9003 59 R 4.7126 7.8552 119.4858 55.2708 34.8521 175.0094 60 V 4.9684 8.0839 116.2834 59.3574 34.7620 175.1918 61 S 4.4559 8.8795 115.2726 58.0590 63.1973 175.0644 62 E 3.7488 9.0606 122.7999 58.7172 29.7700 176.8537 63 G 4.4729 6.7015 106.9492 45.8555 0.0000 171.6169 64 G 4.3051 6.9801 109.4055 42.9822 0.0000 170.6918 65 P 4.1904 0.0000 0.0000 65.8751 31.1838 177.9028 66 A 3.9756 8.0867 120.3964 55.2546 18.1928 179.3054 67 E 4.2492 8.4356 115.3570 59.3178 29.8531 179.0181 68 I 3.8103 7.8737 120.3446 64.0388 37.2087 178.0100 69 A 4.2352 8.1736 121.0067 54.3671 18.5100 179.0820 70 G 4.1267 7.2305 115.6437 45.8701 0.0000 171.7359 71 L 4.3577 7.9253 123.8694 53.0206 42.9463 175.6360 72 Q 4.6818 8.0325 124.1802 53.4463 31.7866 175.0610 73 I 3.5632 8.0045 121.4086 62.9748 37.5243 175.6324 74 G 3.4237 8.1747 113.5523 45.2051 0.0000 173.7195 75 D 4.5002 7.5211 120.5508 54.0175 41.9935 176.0500 76 K 4.5547 8.4226 122.6583 56.0913 33.5657 175.9957 77 I 4.6696 8.7261 126.9386 60.8208 37.8086 175.6505 78 M 4.5973 9.1583 125.8601 55.3869 34.5287 175.5416 79 Q 4.8261 7.8120 120.4788 54.6940 33.0136 173.5369 80 V 4.6368 8.3569 125.2651 62.1188 34.1002 174.3789 81 N 4.3148 10.0822 127.5577 54.7488 37.7411 173.9775 82 G 4.0525 8.5183 100.1048 46.1466 0.0000 174.8792 83 W 4.5159 8.4223 115.8096 54.5395 29.5061 173.0359 84 D 4.1416 8.0605 122.3873 54.8543 38.6423 172.7694 85 M 4.3661 8.4470 122.5780 55.3887 32.6723 176.0032 86 T 3.8790 7.5092 112.7740 63.9487 68.2707 173.2665 87 M 3.1501 8.5971 127.3467 55.7209 29.6649 175.5089 88 V 4.5646 7.0390 119.2960 58.6774 35.1513 175.4636 89 T 4.1781 8.3416 112.1984 61.6028 70.8705 174.9100 90 H 3.9672 8.8153 121.4862 59.6624 29.8437 176.9446 91 D 4.3408 8.0767 119.0470 57.6629 40.9901 178.1555 92 Q 4.0576 7.7282 116.8257 58.5958 29.0099 178.2220 93 A 4.2052 8.3471 122.2094 55.2430 18.4704 179.6937 94 R 3.8295 8.2511 117.0583 58.9738 29.9379 177.8680 95 K 4.5217 7.5219 117.0487 56.2531 33.3669 176.9719 96 R 4.3425 7.7289 116.6659 56.9335 35.4335 175.7211 97 L 4.2269 8.1382 116.0511 56.6905 41.1447 177.0182 98 T 4.2640 7.4388 111.4624 61.0385 67.9119 173.7128 99 K 4.1019 7.7076 118.8981 57.2782 33.0699 176.7759 100 R 4.5138 8.1922 115.4000 56.1337 30.0141 177.0804 101 S 4.1710 7.9103 114.3274 60.7254 62.7616 173.7937 102 E 4.4388 7.8412 119.4586 54.9594 30.7660 174.3648 103 E 4.4011 8.4456 121.6248 57.0752 31.2395 175.2187 104 V 5.4002 7.3822 118.9633 58.1799 33.7892 174.5951 105 V 4.5747 8.3441 116.1332 59.6090 36.2921 174.6533 106 R 4.7835 8.5900 122.6054 55.0833 31.6289 175.4627 107 L 5.2857 9.0742 124.3403 52.9548 45.6916 175.7859 108 L 5.1210 9.0793 119.8756 53.4699 45.7638 176.1937 109 V 4.9436 9.1481 117.5094 59.6599 35.6380 174.6499 110 T 4.8595 8.6787 114.2264 59.9989 70.7236 173.9653 111 R 4.8085 9.0461 126.6329 56.1644 30.1953 176.6367 112 Q 4.5629 8.9519 122.3762 55.6646 29.5920 176.2577 113 S 4.4707 7.8919 112.5923 58.6182 63.1357 174.3254 114 L 4.4779 7.6047 122.1295 54.8804 43.5084 175.5405 115 Q 4.6137 7.8504 116.6505 55.5403 32.4237 175.7037 116 K 4.2080 8.8262 119.3632 56.5671 31.0205 176.6378 117 A 4.4511 7.5071 119.3165 51.1965 20.9042 174.0765 118 V 3.1724 8.1944 122.8057 62.2325 28.4564 170.9711 119 Q 4.0952 8.1773 123.8701 55.4810 29.5376 177.8862 120 Q 3.6777 8.9546 119.7480 58.2522 28.3327 178.3874 121 S 3.7902 8.1918 110.9333 59.2772 60.9242 172.7379 122 M 3.1732 8.1824 115.7691 56.0392 29.5403 177.4666 123 L 4.3141 8.0049 119.4820 55.8111 42.7083 176.9589 124 S 4.3856 7.9160 118.1944 58.5191 63.0235 173.7795 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 G 8.35 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 0.00 0.00 0.00 2 S 8.54 4.23 0.00 3.97 3.88 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 3 Y 8.55 4.20 0.00 2.94 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 4 I 8.04 4.04 1.85 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 1.40 0.85 0.81 0.00 0.00 5 P 0.00 4.69 0.00 2.37 2.09 0.00 2.81 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.98 0.00 6 G 8.44 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 0.00 0.00 0.00 7 Q 8.22 4.40 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.13 0.00 0.00 0.00 0.00 0.00 2.29 2.61 0.00 8 P 0.00 4.17 0.00 2.17 1.87 0.00 4.04 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 9 V 8.04 4.35 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 0.63 0.00 0.00 0.91 0.00 0.00 10 T 8.03 4.08 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 1.20 0.00 0.00 11 A 7.69 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.14 4.55 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 0.97 0.00 0.00 0.94 0.00 0.00 13 V 8.47 4.75 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 0.97 0.00 0.00 0.95 0.00 0.00 14 Q 9.46 4.79 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.93 0.00 0.00 0.00 0.00 0.00 2.21 2.46 0.00 15 R 8.53 4.91 0.00 1.94 1.96 0.00 3.02 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 16 V 8.93 4.50 2.02 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 0.90 0.00 0.00 0.83 0.00 0.00 17 E 8.45 5.22 0.00 1.96 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 2.26 2.37 0.00 18 I 8.35 4.31 1.99 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 1.78 0.59 1.03 0.00 0.00 19 H 8.70 5.29 0.00 3.01 3.19 0.00 5.76 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.73 3.84 0.00 1.81 1.89 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.45 7.81 21 L 8.55 4.66 0.00 1.72 1.80 0.97 1.07 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 22 R 8.70 4.82 0.00 1.73 1.87 0.00 3.38 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 23 Q 8.86 4.44 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.77 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 24 G 8.97 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 25 E 9.41 4.63 0.00 1.91 1.91 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 2.18 2.27 0.00 26 N 8.30 5.03 0.00 2.67 2.65 0.00 0.00 6.66 6.64 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 27 L 8.23 5.12 0.00 1.53 1.50 0.98 0.98 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 28 I 8.65 4.66 1.86 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 1.25 1.17 0.79 0.00 0.00 29 L 8.26 4.38 0.00 1.39 1.78 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.40 4.32 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 0.00 31 F 7.54 4.82 0.00 3.22 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 32 S 9.76 4.94 0.00 3.74 3.79 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 33 I 8.34 5.17 1.88 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.40 0.97 0.00 0.00 34 G 8.93 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 35 G 7.47 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 0.00 0.00 0.00 0.00 36 G 8.41 4.42 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 0.00 37 I 8.74 3.89 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 1.32 0.92 0.93 0.00 0.00 38 D 8.08 4.47 0.00 2.67 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 39 Q 7.81 4.61 0.00 2.36 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.55 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 40 D 8.27 4.84 0.00 2.78 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 41 P 0.00 4.62 0.00 2.19 2.29 0.00 3.80 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 2.01 2.00 0.00 42 S 8.00 4.39 0.00 3.86 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 43 Q 8.43 4.57 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.43 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 44 N 8.05 5.06 0.00 2.81 2.79 0.00 0.00 6.85 8.13 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 45 P 0.00 3.85 0.00 1.01 1.87 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 46 F 7.43 4.55 0.00 2.03 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 47 S 7.41 4.53 0.00 3.97 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 48 E 7.43 3.92 0.00 2.19 2.11 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 2.27 2.16 0.00 49 D 7.99 4.38 0.00 2.63 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 50 K 7.66 4.63 0.00 1.65 1.68 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.49 7.81 51 T 8.50 4.37 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 52 D 8.02 4.37 0.00 2.66 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 53 K 7.85 3.69 0.00 2.01 1.94 0.00 1.85 0.00 0.00 1.91 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.61 7.81 54 G 8.04 4.42 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 0.00 55 I 8.07 4.23 1.90 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 1.02 1.72 0.88 0.00 0.00 56 Y 7.29 5.28 0.00 2.97 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 57 V 8.20 4.50 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 1.05 0.00 0.00 0.77 0.00 0.00 58 T 8.77 4.68 4.48 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 1.68 0.00 0.00 59 R 7.86 4.71 0.00 1.78 1.86 0.00 3.30 0.00 0.00 3.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 60 V 8.08 4.97 2.12 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 0.70 0.00 0.00 0.94 0.00 0.00 61 S 8.88 4.46 0.00 4.11 4.07 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 0.00 0.00 0.00 62 E 9.06 3.75 0.00 2.11 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 0.00 2.29 2.33 0.00 63 G 6.70 4.47 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 0.00 0.00 0.00 64 G 6.98 4.31 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 0.00 65 P 0.00 4.19 0.00 2.31 2.43 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.20 0.00 66 A 8.09 3.98 1.54 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 67 E 8.44 4.25 0.00 2.11 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 2.48 2.43 0.00 68 I 7.87 3.81 1.92 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 1.63 0.81 0.89 0.00 0.00 69 A 8.17 4.24 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 70 G 7.23 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 71 L 7.93 4.36 0.00 1.31 1.45 0.61 -0.63 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 72 Q 8.03 4.68 0.00 2.30 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 73 I 8.00 3.56 1.78 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 1.38 0.43 0.64 0.00 0.00 74 G 8.17 3.42 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 0.00 75 D 7.52 4.50 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 4.55 0.00 1.84 1.83 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.73 1.51 7.81 77 I 8.73 4.67 1.94 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 1.18 0.28 1.04 0.00 0.00 78 M 9.16 4.60 0.00 1.90 2.07 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 79 Q 7.81 4.83 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.31 0.00 0.00 0.00 0.00 0.00 2.47 2.32 0.00 80 V 8.36 4.64 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 0.97 0.00 0.00 1.11 0.00 0.00 81 N 10.08 4.31 0.00 2.84 2.88 0.00 0.00 7.29 8.04 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 82 G 8.52 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 0.00 0.00 0.00 83 W 8.42 4.52 0.00 3.54 3.25 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 0.00 84 D 8.06 4.14 0.00 2.53 2.48 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 85 M 8.45 4.37 0.00 2.19 2.36 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.68 0.00 86 T 7.51 3.88 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 1.11 0.00 0.00 87 M 8.60 3.15 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 88 V 7.04 4.56 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 1.07 0.00 0.00 1.27 0.00 0.00 89 T 8.34 4.18 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 1.24 0.00 0.00 90 H 8.82 3.97 0.00 3.26 3.47 0.00 5.87 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.08 4.34 0.00 2.78 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.73 4.06 0.00 2.16 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 93 A 8.35 4.21 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 94 R 8.25 3.83 0.00 2.00 1.94 0.00 3.16 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 95 K 7.52 4.52 0.00 1.79 1.80 0.00 1.63 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.37 7.81 96 R 7.73 4.34 0.00 0.94 1.50 0.00 2.93 0.00 0.00 2.46 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.12 0.00 97 L 8.14 4.23 0.00 1.59 1.84 0.70 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.44 4.26 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 1.11 0.00 0.00 99 K 7.71 4.10 0.00 1.81 1.68 0.00 1.48 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.32 7.81 100 R 8.19 4.51 0.00 1.89 2.14 0.00 3.00 0.00 0.00 3.12 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 101 S 7.91 4.17 0.00 3.81 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 7.84 4.44 0.00 1.89 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 2.22 2.33 0.00 103 E 8.45 4.40 0.00 2.17 2.12 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 2.27 2.26 0.00 104 V 7.38 5.40 2.11 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 0.98 0.00 0.00 1.07 0.00 0.00 105 V 8.34 4.57 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 1.07 0.00 0.00 1.01 0.00 0.00 106 R 8.59 4.78 0.00 1.76 1.89 0.00 3.32 0.00 0.00 3.37 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 107 L 9.07 5.29 0.00 1.50 1.64 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 108 L 9.08 5.12 0.00 1.66 1.51 1.00 1.01 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 0.00 109 V 9.15 4.94 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 0.66 0.00 0.00 0.87 0.00 0.00 110 T 8.68 4.86 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 0.00 111 R 9.05 4.81 0.00 1.66 1.93 0.00 3.07 0.00 0.00 3.07 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 112 Q 8.95 4.56 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.79 0.00 0.00 0.00 0.00 0.00 2.49 2.28 0.00 113 S 7.89 4.47 0.00 3.97 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 0.00 114 L 7.60 4.48 0.00 1.64 1.68 0.95 0.97 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 0.00 115 Q 7.85 4.61 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 5.93 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 116 K 8.83 4.21 0.00 1.93 2.01 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.42 7.81 117 A 7.51 4.45 1.23 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 0.00 0.00 0.00 118 V 8.19 3.17 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 0.74 0.00 0.00 1.03 0.00 0.00 119 Q 8.18 4.10 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.55 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 120 Q 8.95 3.68 0.00 2.21 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.33 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 121 S 8.19 3.79 0.00 3.86 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 0.00 122 M 8.18 3.17 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 123 L 8.00 4.31 0.00 1.72 1.69 0.86 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.92 4.39 0.00 3.83 3.75 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