NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2710 0.0000 0.0000 62.8513 33.2781 177.6523 17 S 3.5625 8.0870 110.9242 58.9056 60.5178 169.4829 18 R 4.7314 8.6456 114.4998 55.1903 31.4690 176.2772 19 K 4.1535 8.0830 118.7149 56.6968 33.3952 178.1660 20 A 4.8296 7.2213 125.7560 51.7265 21.0547 175.9267 21 K 4.2989 7.9445 123.0074 55.8074 32.7329 178.2246 22 V 3.4155 8.2444 124.7417 65.9031 31.6194 177.3701 23 K 4.2663 7.7327 118.8165 59.5203 32.3445 177.6131 24 A 4.1508 8.1814 119.9331 55.7579 18.8602 178.8123 25 T 4.2095 7.6736 111.9525 61.2208 66.6073 172.6784 26 L 4.3725 6.9120 123.4799 55.2722 45.2991 172.4150 27 G 4.1248 8.3960 109.7999 44.4129 0.0000 173.3629 28 E 4.1713 8.7148 121.7067 55.3436 28.6444 175.6135 29 F 4.9240 7.5084 118.2796 54.7207 40.7439 175.7906 30 D 4.5743 8.4086 121.6343 52.5857 39.6920 176.6313 31 L 4.3579 8.3734 126.4117 57.0392 41.9205 178.7197 32 R 4.0637 7.8277 117.0159 57.5638 30.3477 175.5819 33 D 4.1776 8.3385 118.0966 54.4980 40.7138 174.5533 34 Y 4.6921 7.6999 124.7113 57.0366 38.1243 176.1276 35 R 4.5889 7.6527 117.1744 56.3328 32.6229 175.8725 36 N 4.6622 7.7875 118.4679 52.0186 37.6252 175.3318 37 V 3.5691 7.7395 121.4994 66.3999 31.6262 176.4605 38 E 3.9272 8.1723 117.0897 59.4430 29.6661 179.2577 39 V 3.7402 7.5756 117.9702 64.5402 32.0713 177.7141 40 L 4.0075 8.0535 120.7079 57.6233 41.0787 179.4739 41 K 4.0447 7.9846 118.6928 59.7318 31.6662 178.6505 42 R 3.8855 8.1419 117.8051 58.5731 30.0408 177.1640 43 F 4.5710 8.5348 116.6476 57.1631 39.0382 174.7422 44 L 5.0709 7.1905 120.4747 52.6367 43.4841 177.3203 45 S 4.3952 9.1491 118.2662 58.2950 63.6032 175.0201 46 E 4.1710 8.6143 118.2152 57.5337 28.8546 176.2503 47 T 4.7359 7.9424 116.2298 61.6251 72.7087 174.8873 48 G 3.8613 8.7267 110.0541 47.0523 0.0000 174.1767 49 K 4.1543 7.7653 120.4706 56.5478 33.2843 176.2728 50 I 4.5701 8.2229 125.0252 60.8286 37.7842 176.0356 51 L 4.3035 8.6498 127.3732 54.0219 42.4013 175.5613 52 P 4.5730 0.0000 0.0000 62.0507 32.3456 177.9168 53 R 4.0893 8.5473 118.7258 59.4595 29.5874 179.2850 54 R 3.9226 8.0829 116.9298 59.0594 30.3412 177.9737 55 R 4.4759 7.8313 115.9103 57.1093 31.6898 177.8618 56 T 4.3530 8.4348 109.1015 61.6841 68.9541 175.7928 57 G 3.9314 8.0004 108.7670 46.2337 0.0000 173.5051 58 L 4.5373 7.7285 119.6544 53.9383 42.9869 176.3311 59 S 4.8623 8.6122 115.1468 56.4361 66.1637 175.1859 60 G 3.7932 8.5967 108.4281 48.0570 0.0000 175.3845 61 K 4.0891 7.9227 121.6768 59.1315 32.3332 178.2366 62 E 3.8777 7.9524 118.5080 59.8029 29.1009 179.1652 63 Q 3.8796 8.7576 119.5230 59.3793 27.4514 178.6561 64 R 3.9725 7.7888 119.0522 58.8706 30.0981 178.2607 65 I 4.1378 7.8969 119.9822 63.4349 37.1327 177.8085 66 L 3.7545 7.8547 120.7025 58.0646 41.8692 178.3317 67 A 3.9786 7.4916 120.1921 55.5298 18.1907 179.7426 68 K 3.8698 7.4671 114.6008 59.8334 32.0012 179.8195 69 T 3.9117 7.6487 115.4082 66.9012 68.2580 176.9614 70 I 3.6571 8.1859 120.5531 64.0869 37.2981 178.4556 71 K 3.9743 8.1611 119.7647 59.2141 32.1011 179.4338 72 R 3.7825 8.2757 118.5294 59.3525 30.0339 179.0472 73 A 4.0964 8.3055 120.4777 54.8789 18.2724 180.0643 74 R 4.4851 7.5462 118.2811 58.8914 29.8255 178.9705 75 I 3.8803 7.6438 117.7285 64.6464 37.3410 178.1613 76 L 4.1284 7.4541 117.2133 56.2444 41.5080 178.4926 77 G 4.0701 8.0222 106.8115 45.1431 0.0000 174.5769 78 L 4.1676 7.8013 119.4109 56.6431 42.2394 177.2052 79 L 4.7740 7.7818 117.8264 51.8576 44.1021 174.5015 80 P 4.8538 0.0000 0.0000 62.8006 32.3166 175.9243 81 F 4.3247 8.6209 116.6384 59.2241 40.1363 176.6851 82 T 4.5264 7.4604 110.4961 61.2156 69.8368 171.8500 83 E 4.8378 8.5908 126.5876 54.1606 32.8979 175.9606 84 K 4.2318 8.3400 119.9809 56.0752 32.9839 176.4667 85 L 4.4132 8.2430 123.6469 53.8384 43.1534 175.8431 86 V 4.4141 8.0857 125.0619 61.6948 34.6789 171.9082 87 R 4.3220 9.7364 122.8796 54.1607 26.0651 175.0231 88 K 4.1545 9.2040 129.6188 57.7915 33.1219 174.0696 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 16 P 0.00 4.27 0.00 2.19 2.25 0.00 3.85 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 1.88 1.96 0.00 17 S 8.09 3.56 0.00 4.11 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 18 R 8.65 4.73 0.00 1.79 1.85 0.00 3.42 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 19 K 8.08 4.15 0.00 1.73 1.84 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.42 7.81 20 A 7.22 4.83 1.24 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 0.00 0.00 0.00 21 K 7.94 4.30 0.00 1.89 1.78 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.20 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.60 7.81 22 V 8.24 3.42 1.86 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 -0.41 0.00 0.00 0.76 0.00 0.00 23 K 7.73 4.27 0.00 2.22 1.92 0.00 2.04 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.57 7.81 24 A 8.18 4.15 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.67 4.21 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 1.16 0.00 0.00 26 L 6.91 4.37 0.00 1.59 1.93 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.40 4.12 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 0.00 0.00 0.00 28 E 8.71 4.17 0.00 1.95 1.89 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 2.26 2.32 0.00 29 F 7.51 4.92 0.00 3.17 3.06 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 30 D 8.41 4.57 0.00 2.78 2.64 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 31 L 8.37 4.36 0.00 1.65 1.75 0.86 1.03 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 32 R 7.83 4.06 0.00 1.80 2.21 0.00 3.26 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 33 D 8.34 4.18 0.00 2.69 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 34 Y 7.70 4.69 0.00 3.04 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 35 R 7.65 4.59 0.00 1.64 1.96 0.00 3.21 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.40 0.00 36 N 7.79 4.66 0.00 3.16 2.72 0.00 0.00 6.68 7.59 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 37 V 7.74 3.57 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 1.02 0.00 0.00 0.98 0.00 0.00 38 E 8.17 3.93 0.00 1.96 2.00 0.00 0.00 0.00 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 2.33 0.00 39 V 7.58 3.74 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 1.03 0.00 0.00 0.53 0.00 0.00 40 L 8.05 4.01 0.00 1.70 1.81 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.98 4.04 0.00 1.83 2.08 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.50 7.81 42 R 8.14 3.89 0.00 1.77 1.37 0.00 3.14 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 43 F 8.53 4.57 0.00 3.04 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 44 L 7.19 5.07 0.00 1.79 1.75 0.90 0.87 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 45 S 9.15 4.40 0.00 3.91 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 46 E 8.61 4.17 0.00 1.96 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 0.00 2.31 2.38 0.00 47 T 7.94 4.74 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 1.31 0.00 0.00 48 G 8.73 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 0.00 0.00 0.00 49 K 7.77 4.15 0.00 1.75 1.76 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.45 7.81 50 I 8.22 4.57 1.88 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 1.32 0.45 0.93 0.00 0.00 51 L 8.65 4.30 0.00 1.62 1.64 0.94 0.94 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 52 P 0.00 4.57 0.00 2.20 1.98 0.00 3.63 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 2.12 2.12 0.00 53 R 8.55 4.09 0.00 1.87 2.02 0.00 3.30 0.00 0.00 3.44 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.75 0.00 54 R 8.08 3.92 0.00 1.79 2.03 0.00 3.19 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 55 R 7.83 4.48 0.00 1.82 1.95 0.00 3.28 0.00 0.00 3.39 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 56 T 8.43 4.35 4.67 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 1.48 0.00 0.00 57 G 8.00 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.73 4.54 0.00 1.90 1.74 0.86 1.01 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 59 S 8.61 4.86 0.00 4.04 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 60 G 8.60 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 0.00 0.00 0.00 61 K 7.92 4.09 0.00 1.83 1.80 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.52 7.81 62 E 7.95 3.88 0.00 2.16 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 2.30 2.32 0.00 63 Q 8.76 3.88 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 64 R 7.79 3.97 0.00 2.11 2.06 0.00 3.13 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 65 I 7.90 4.14 1.93 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 1.39 1.17 0.90 0.00 0.00 66 L 7.85 3.75 0.00 1.54 1.71 0.04 0.83 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 67 A 7.49 3.98 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 68 K 7.47 3.87 0.00 1.91 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 69 T 7.65 3.91 4.40 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 1.28 0.00 0.00 70 I 8.19 3.66 1.81 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 1.47 0.56 0.84 0.00 0.00 71 K 8.16 3.97 0.00 1.93 1.79 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.59 7.81 72 R 8.28 3.78 0.00 1.97 1.70 0.00 3.17 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.73 0.00 73 A 8.31 4.10 1.41 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 0.00 0.00 0.00 74 R 7.55 4.49 0.00 1.60 0.66 0.00 2.70 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 75 I 7.64 3.88 2.01 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 1.77 0.57 0.91 0.00 0.00 76 L 7.45 4.13 0.00 1.66 1.77 0.96 0.81 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 77 G 8.02 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 0.00 0.00 0.00 78 L 7.80 4.17 0.00 1.77 1.76 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.78 4.77 0.00 1.61 1.45 0.90 0.85 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 80 P 0.00 4.85 0.00 2.22 2.19 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 81 F 8.62 4.32 0.00 3.01 3.19 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 82 T 7.46 4.53 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 1.27 0.00 0.00 83 E 8.59 4.84 0.00 1.96 1.81 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 2.29 2.24 0.00 84 K 8.34 4.23 0.00 1.75 1.74 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.43 7.81 85 L 8.24 4.41 0.00 1.58 1.56 0.92 0.89 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 86 V 8.09 4.41 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 0.89 0.00 0.00 0.93 0.00 0.00 87 R 9.74 4.32 0.00 1.91 1.40 0.00 3.57 0.00 0.00 3.15 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 88 K 9.20 4.15 0.00 1.88 1.76 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.42 7.81