NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1575 8.0093 121.4546 61.0710 38.5891 174.4857 4 K 4.2905 8.2665 122.1083 54.8327 34.1152 171.2941 5 V 4.2314 8.1121 120.9453 61.9756 34.9499 174.3675 6 R 4.6078 8.5041 126.8678 54.5192 32.7269 173.7642 7 E 4.8542 8.7775 124.0087 54.5855 32.1945 174.6121 8 N 4.5684 8.6182 119.8968 52.7794 40.5899 170.0703 9 E 3.4743 8.6450 133.5408 54.4937 29.6485 172.2900 10 P 4.0923 0.0000 0.0000 62.9820 30.0032 175.6310 11 F 4.8013 7.4248 117.5942 55.5061 39.5743 174.6817 12 D 4.4302 8.4586 121.4685 54.8125 37.0933 171.7439 13 V 4.3294 7.8310 116.5364 59.2635 33.8299 176.3631 14 A 4.0739 8.9997 128.5003 54.1687 18.8438 177.7653 15 L 3.5885 7.9616 113.7938 55.9694 39.4148 175.9202 16 R 4.1616 7.8657 114.5412 57.6120 30.0385 176.4842 17 R 3.7345 7.6572 117.5396 60.0289 29.8606 178.6001 18 F 4.8571 7.2175 117.9338 59.7133 38.9770 177.6373 19 K 4.2104 7.8854 118.0263 59.3783 32.3473 178.9777 20 R 4.0569 8.0053 116.9909 57.7287 30.2597 178.4285 21 S 4.3038 8.5341 112.9635 58.7954 62.1753 173.9169 22 C 4.8153 6.9371 120.2052 59.6690 37.8030 178.4827 23 E 4.5921 7.8247 129.5739 53.3142 29.4925 177.9697 24 K 3.6319 8.5226 128.7465 58.2569 32.0893 177.9256 25 A 4.2660 8.4425 120.0965 51.3964 18.8306 177.2008 26 G 4.1000 9.0327 102.1528 47.1877 0.0000 174.9894 27 V 3.6860 8.5185 116.7588 62.7216 32.6574 175.9612 28 L 4.4181 7.5769 119.1989 56.3488 43.8338 177.9516 29 A 3.9377 8.0988 120.7994 55.2321 18.5521 178.4203 30 E 3.9113 8.5360 116.5287 59.0216 29.6728 177.8089 31 V 3.8553 7.3346 115.0272 62.9015 32.1482 176.1471 32 R 3.9269 7.8820 119.6687 59.2717 29.9017 175.7275 33 R 4.6799 7.1759 114.8685 53.5887 33.3037 173.9475 34 R 3.8516 8.1543 116.2789 54.8167 30.5940 177.5696 35 E 3.7860 8.3293 118.6278 56.4797 29.9382 175.3507 36 F 4.8823 7.8597 115.4572 59.5168 40.9387 176.1670 37 Y 4.0697 7.7807 120.9526 58.8539 36.4849 169.8789 38 E 4.5194 8.0423 117.8562 57.5263 31.6386 177.6234 39 K 3.6594 8.2083 117.9835 58.9600 32.6007 177.1933 40 P 4.1888 0.0000 0.0000 66.0832 31.4129 178.3205 41 T 4.1088 7.3487 106.9822 62.3810 68.4189 174.2354 42 T 4.4252 7.4428 110.4521 60.8984 71.4553 175.3769 43 E 3.7826 8.6150 120.4689 59.0366 29.7292 179.2834 44 R 4.0122 8.4690 117.9410 58.7402 29.8089 178.1334 45 K 4.5271 7.9408 116.4320 56.5700 32.3273 178.0300 46 R 4.4626 7.5353 117.2398 56.1542 30.5472 177.8852 47 A 4.0537 7.6483 121.7368 54.8297 18.2737 180.0106 48 K 4.0522 8.0573 116.7867 59.8064 32.5466 178.8335 49 A 3.6472 7.5885 120.7389 54.0405 18.3396 178.2400 50 S 4.5169 7.7368 110.0454 59.1380 64.0487 175.6702 51 A 4.0268 8.1545 123.6045 54.7916 18.2172 179.6569 52 V 3.6972 8.4547 117.8580 64.4341 31.3322 176.2643 53 K 3.9898 7.5197 125.0874 57.0870 32.8600 174.1771 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 I 8.01 4.16 1.93 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 1.79 1.10 0.96 0.00 0.00 4 K 8.27 4.29 0.00 1.91 1.78 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.41 7.81 5 V 8.11 4.23 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 1.06 0.00 0.00 6 R 8.50 4.61 0.00 1.74 1.73 0.00 3.24 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 7 E 8.78 4.85 0.00 2.13 2.24 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 2.37 2.47 0.00 8 N 8.62 4.57 0.00 2.66 2.74 0.00 0.00 7.04 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 9 E 8.64 3.47 0.00 2.02 1.62 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 2.18 2.24 0.00 10 P 0.00 4.09 0.00 2.13 1.98 0.00 3.59 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 11 F 7.42 4.80 0.00 2.99 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.46 4.43 0.00 2.91 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 13 V 7.83 4.33 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 0.66 0.00 0.00 0.86 0.00 0.00 14 A 9.00 4.07 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 15 L 7.96 3.59 0.00 1.94 1.94 0.80 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.87 4.16 0.00 1.92 1.88 0.00 3.25 0.00 0.00 3.36 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 17 R 7.66 3.73 0.00 1.13 1.55 0.00 3.22 0.00 0.00 3.01 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 18 F 7.22 4.86 0.00 3.06 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 K 7.89 4.21 0.00 2.09 1.85 0.00 1.64 0.00 0.00 1.89 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.62 7.81 20 R 8.01 4.06 0.00 1.90 1.95 0.00 3.27 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 21 S 8.53 4.30 0.00 3.94 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 22 C 6.94 4.82 0.00 3.09 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 23 E 7.82 4.59 0.00 2.09 1.53 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 2.36 2.40 0.00 24 K 8.52 3.63 0.00 1.88 1.25 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.36 7.81 25 A 8.44 4.27 1.25 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 0.00 0.00 26 G 9.03 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 0.00 0.00 0.00 27 V 8.52 3.69 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 0.69 0.00 0.00 1.05 0.00 0.00 28 L 7.58 4.42 0.00 1.71 1.59 0.91 0.77 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 29 A 8.10 3.94 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 30 E 8.54 3.91 0.00 1.84 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 2.07 2.03 0.00 31 V 7.33 3.86 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 0.76 0.00 0.00 0.88 0.00 0.00 32 R 7.88 3.93 0.00 1.97 1.93 0.00 3.40 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 33 R 7.18 4.68 0.00 1.75 1.74 0.00 3.36 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 34 R 8.15 3.85 0.00 2.10 2.00 0.00 3.33 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 35 E 8.33 3.79 0.00 1.16 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 2.20 2.22 0.00 36 F 7.86 4.88 0.00 2.84 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 37 Y 7.78 4.07 0.00 3.21 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 38 E 8.04 4.52 0.00 2.08 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 2.29 2.35 0.00 39 K 8.21 3.66 0.00 1.26 0.93 0.00 1.57 0.00 0.00 1.84 0.00 0.00 3.18 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.00 1.24 7.81 40 P 0.00 4.19 0.00 2.27 2.44 0.00 3.72 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 41 T 7.35 4.11 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 1.23 0.00 0.00 42 T 7.44 4.43 4.20 0.00 0.00 0.00 0.00 0.00 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 43 E 8.62 3.78 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.34 0.00 44 R 8.47 4.01 0.00 2.07 1.98 0.00 3.27 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 45 K 7.94 4.53 0.00 1.80 1.82 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.65 7.81 46 R 7.54 4.46 0.00 1.96 1.90 0.00 3.22 0.00 0.00 3.14 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.85 0.00 47 A 7.65 4.05 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 48 K 8.06 4.05 0.00 1.99 2.08 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.50 7.81 49 A 7.59 3.65 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 50 S 7.74 4.52 0.00 3.86 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 51 A 8.15 4.03 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 52 V 8.45 3.70 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 0.80 0.00 0.00 0.93 0.00 0.00 53 K 7.52 3.99 0.00 1.63 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.43 7.81