NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2672 8.2493 123.5820 52.0918 19.7336 179.7005 5 N 4.8035 8.8131 126.2123 51.1436 41.5224 172.6670 6 K 3.8920 8.5931 118.7310 60.0672 32.5978 180.1905 7 R 3.9234 8.0487 118.2581 59.8933 29.9064 178.0453 8 N 4.4552 8.0768 114.4917 55.8605 38.5328 177.0650 9 E 4.0296 8.2492 120.8726 58.7830 29.6868 178.4466 10 A 4.0579 8.5571 121.4383 55.1104 18.4811 179.0553 11 L 3.8934 8.0264 118.4186 58.5542 41.9667 179.3703 12 R 3.9119 8.1044 118.3856 59.2915 29.9393 178.6690 13 I 3.7752 7.7242 119.6920 64.3102 37.1869 177.5287 14 E 4.0051 8.9226 122.0600 58.8256 29.3033 179.0482 15 S 4.1806 8.3389 113.7384 61.6540 62.8339 176.3654 16 A 4.0022 7.8620 124.3111 54.6451 18.0342 179.6977 17 L 3.9113 8.0222 117.5983 58.0561 41.7055 179.6238 18 L 4.0383 8.5048 119.2200 57.7206 41.5377 179.1375 19 N 4.2798 8.4449 117.1180 56.6985 38.8945 176.9147 20 K 3.9353 8.1313 119.7832 59.7821 32.2595 179.3631 21 I 3.7355 8.2370 120.0378 64.3299 36.7347 178.3686 22 A 4.0885 8.0756 121.2221 55.0936 18.3172 179.1417 23 M 4.1816 7.9572 116.0222 57.0874 32.2472 177.4573 24 L 4.5764 7.6567 118.3666 53.4143 43.1957 175.6521 25 G 3.8588 7.7639 108.4214 46.6994 0.0000 174.4336 26 T 3.8834 8.6384 116.2380 64.5789 67.9441 175.4378 27 E 4.3219 7.9705 119.9197 57.4896 30.3695 177.9630 28 K 3.9333 7.8684 119.6991 59.7764 32.4644 178.7533 29 T 3.7790 7.9792 109.8064 64.6527 68.5582 175.7216 30 A 3.7752 7.4170 122.4734 54.7842 18.2563 179.0777 31 E 3.9808 7.7836 114.2658 58.7896 30.2781 178.2736 32 A 3.9464 7.7590 120.7793 54.6065 18.2604 179.3851 33 V 3.7849 7.3492 115.8106 65.8471 32.1325 177.5536 34 G 4.2251 7.4602 107.1081 46.1530 0.0000 173.7014 35 V 4.3039 7.7521 118.5616 58.6018 33.9608 174.9017 36 D 4.2994 8.7136 121.3939 54.8084 41.2153 177.4802 37 K 4.0373 8.8243 126.1222 58.7932 32.6714 177.6334 38 S 4.4772 9.3559 114.3747 60.2574 63.9670 176.2351 39 Q 4.3587 8.5414 119.8605 57.6647 28.2073 177.8714 40 I 3.8344 7.9671 121.1043 64.5351 36.6857 177.2376 41 S 4.1792 7.8009 113.2186 61.3463 62.2468 176.1510 42 R 4.2922 7.7402 121.5904 58.1871 29.7595 179.2375 43 W 3.9447 8.2593 119.1731 59.5912 28.9554 178.5861 44 K 4.4734 7.8916 117.0591 58.5684 32.3408 178.1923 45 R 4.5285 7.3858 114.3957 56.0380 29.9528 175.2805 46 D 4.4546 7.3600 117.7512 55.2459 43.8113 177.6370 47 W 4.2047 7.4886 118.5164 59.4946 28.9998 179.0087 48 I 3.9754 8.3105 120.2807 63.7003 36.4966 176.7968 49 P 4.2373 0.0000 0.0000 65.6155 31.3291 178.2157 50 K 3.8520 7.5614 116.8532 59.8345 31.9768 178.6460 51 F 4.4034 8.7689 120.6862 62.0071 38.7455 177.5445 52 S 3.9313 8.3371 114.5566 61.6104 62.5595 176.5497 53 M 4.0003 8.0519 120.8801 58.5175 32.0913 177.5475 54 L 3.8881 7.9003 120.4642 58.7023 42.1246 179.0520 55 L 4.1674 7.9626 118.2220 57.5160 41.4439 179.7359 56 A 3.9987 7.6422 120.9746 55.0555 18.1960 179.6375 57 V 3.5669 7.9973 115.6182 66.2317 31.7822 177.9554 58 L 4.1543 8.1927 114.5962 54.9371 41.4801 176.9233 59 E 3.8730 8.2741 117.9032 56.7804 27.6760 174.4173 60 W 4.2586 8.2057 128.1367 58.6125 31.3140 174.5443 61 G 3.2721 6.7738 111.9964 45.6069 0.0000 176.2658 62 V 3.5276 7.3772 119.9945 64.4933 31.2125 178.9576 63 V 3.4892 7.3338 119.3652 64.4072 31.3667 177.7578 64 D 4.0484 7.2186 118.1698 56.9043 41.0049 177.8395 65 D 4.1974 9.3735 119.2460 57.4552 40.8802 178.2789 66 D 4.3383 8.0298 119.3783 57.8595 40.7478 179.0390 67 M 4.0296 8.4382 119.1570 58.0603 31.9068 178.5976 68 A 3.9280 8.0519 121.1351 55.5537 18.5247 179.0001 69 R 3.7285 8.4010 117.1089 59.8607 29.9400 178.1078 70 L 4.0029 8.2422 117.7823 58.2290 41.8128 179.6753 71 A 4.0214 8.2472 120.5320 55.1825 18.2430 179.9833 72 R 3.8311 7.9373 116.4522 59.6724 30.2046 179.0323 73 Q 4.1196 8.3044 118.0083 59.0983 28.6792 179.7871 74 V 3.5114 8.2419 119.2287 66.0553 31.7129 177.8918 75 A 4.0230 8.1821 120.3589 55.8976 17.8837 178.3518 76 A 4.0327 8.5763 119.1920 54.7447 18.3665 178.9875 77 I 3.7269 7.6946 121.6124 63.0346 37.7246 177.8612 78 L 4.2420 7.6655 121.2408 56.9304 42.2847 176.2460 79 T 4.2025 7.9721 119.4107 63.6562 69.1581 173.9438 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 4 A 8.25 4.27 1.11 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 0.00 0.00 5 N 8.81 4.80 0.00 2.99 2.98 0.00 0.00 5.95 5.86 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 6 K 8.59 3.89 0.00 1.79 1.90 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.45 7.81 7 R 8.05 3.92 0.00 1.87 1.95 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 8 N 8.08 4.46 0.00 3.01 2.85 0.00 0.00 6.69 7.54 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 9 E 8.25 4.03 0.00 2.23 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 2.32 2.41 0.00 10 A 8.56 4.06 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 11 L 8.03 3.89 0.00 1.92 1.71 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.10 3.91 0.00 2.14 2.07 0.00 3.23 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 13 I 7.72 3.78 2.02 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.75 0.78 0.00 0.00 14 E 8.92 4.01 0.00 1.99 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 0.00 2.34 2.24 0.00 15 S 8.34 4.18 0.00 4.10 4.14 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 16 A 7.86 4.00 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 17 L 8.02 3.91 0.00 1.96 1.79 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.50 4.04 0.00 1.80 1.75 0.95 0.61 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 19 N 8.44 4.28 0.00 2.96 2.98 0.00 0.00 7.21 7.20 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 20 K 8.13 3.94 0.00 1.99 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.62 7.81 21 I 8.24 3.74 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.14 0.93 0.00 0.00 22 A 8.08 4.09 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 23 M 7.96 4.18 0.00 2.03 2.14 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 2.71 2.73 0.00 24 L 7.66 4.58 0.00 1.66 1.65 0.91 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.76 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 26 T 8.64 3.88 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 1.22 0.00 0.00 27 E 7.97 4.32 0.00 2.00 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 2.30 2.32 0.00 28 K 7.87 3.93 0.00 1.78 1.93 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.48 7.81 29 T 7.98 3.78 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 1.29 0.00 0.00 30 A 7.42 3.78 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 31 E 7.78 3.98 0.00 2.16 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 0.00 2.40 2.26 0.00 32 A 7.76 3.95 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 33 V 7.35 3.78 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 0.49 0.00 0.00 0.82 0.00 0.00 34 G 7.46 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 0.00 0.00 0.00 0.00 35 V 7.75 4.30 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 0.30 0.00 0.00 0.91 0.00 0.00 36 D 8.71 4.30 0.00 2.72 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 37 K 8.82 4.04 0.00 1.77 1.88 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.43 7.81 38 S 9.36 4.48 0.00 3.96 4.14 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 39 Q 8.54 4.36 0.00 2.34 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.78 0.00 40 I 7.97 3.83 1.89 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 1.45 0.70 0.93 0.00 0.00 41 S 7.80 4.18 0.00 3.94 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 42 R 7.74 4.29 0.00 1.47 0.66 0.00 3.40 0.00 0.00 2.76 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00 43 W 8.26 3.94 0.00 3.63 3.45 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 44 K 7.89 4.47 0.00 1.95 2.02 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.45 7.81 45 R 7.39 4.53 0.00 1.88 1.99 0.00 2.95 0.00 0.00 3.13 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.46 0.00 46 D 7.36 4.45 0.00 1.87 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 0.00 0.00 0.00 0.00 47 W 7.49 4.20 0.00 2.63 2.42 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 48 I 8.31 3.98 2.04 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.06 1.03 0.00 0.00 49 P 0.00 4.24 0.00 2.16 2.10 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.36 0.00 50 K 7.56 3.85 0.00 2.06 1.94 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.70 1.73 7.81 51 F 8.77 4.40 0.00 3.03 3.09 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 52 S 8.34 3.93 0.00 4.08 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 53 M 8.05 4.00 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 54 L 7.90 3.89 0.00 1.87 1.94 0.96 0.67 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 55 L 7.96 4.17 0.00 1.40 1.63 0.25 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.64 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 57 V 8.00 3.57 2.25 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 0.88 0.00 0.00 0.98 0.00 0.00 58 L 8.19 4.15 0.00 1.66 1.75 0.97 0.98 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 59 E 8.27 3.87 0.00 2.20 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 2.22 2.42 0.00 60 W 8.21 4.26 0.00 3.21 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 61 G 6.77 3.27 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 0.00 62 V 7.38 3.53 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 0.88 0.00 0.00 0.87 0.00 0.00 63 V 7.33 3.49 1.97 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 0.63 0.00 0.00 0.83 0.00 0.00 64 D 7.22 4.05 0.00 1.58 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 0.00 0.00 0.00 65 D 9.37 4.20 0.00 2.80 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.03 4.34 0.00 2.77 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 67 M 8.44 4.03 0.00 1.95 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.83 0.00 68 A 8.05 3.93 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 69 R 8.40 3.73 0.00 1.80 2.08 0.00 3.11 0.00 0.00 3.15 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.68 0.00 70 L 8.24 4.00 0.00 1.99 1.72 0.93 0.83 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 71 A 8.25 4.02 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 72 R 7.94 3.83 0.00 2.08 1.97 0.00 3.14 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 73 Q 8.30 4.12 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 74 V 8.24 3.51 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.94 0.00 0.00 75 A 8.18 4.02 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 76 A 8.58 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 77 I 7.69 3.73 1.87 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 1.64 0.84 0.91 0.00 0.00 78 L 7.67 4.24 0.00 1.86 1.80 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.97 4.20 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