NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2416 8.1933 115.2926 59.3923 62.3508 173.9901 2 R 3.7796 8.0789 128.5937 56.3216 27.4226 173.1181 3 V 3.9056 7.5231 113.2828 60.6975 30.3123 176.4190 4 C 3.9178 8.2007 126.4335 60.3029 31.1163 172.8023 5 Q 3.8981 7.2155 120.9553 57.2522 29.1435 174.8500 6 V 3.7163 7.7915 119.1237 64.6833 31.9870 177.4985 7 T 4.3628 7.8481 108.7252 59.6069 69.1923 174.3976 8 G 4.0305 8.3159 108.5171 46.4264 0.0000 174.0206 9 K 4.1067 7.5073 117.3693 56.2696 32.5058 176.5624 10 R 4.9450 8.0930 120.4612 53.0319 34.0250 173.3383 11 P 4.3549 0.0000 0.0000 63.2709 31.5813 176.0065 12 V 4.6280 8.6372 116.8076 59.3193 34.8371 174.9693 13 T 4.3008 8.7581 116.3039 61.7489 69.5237 173.9113 14 G 4.6877 8.5876 114.9854 45.0058 0.0000 170.4644 15 N 5.3300 8.8707 116.8759 51.6888 41.5429 174.9441 16 N 4.1851 8.4638 119.8707 56.6010 38.9432 175.6297 17 R 3.6063 8.1409 121.1628 56.5606 26.5929 176.3176 18 S 4.3960 7.8700 117.1777 57.2400 64.9100 174.1407 19 H 4.1984 8.2642 117.0606 56.5757 29.0086 176.3318 20 A 3.8650 9.1792 123.0751 52.2770 17.5639 178.9781 21 L 3.9547 7.4708 112.6361 54.6479 39.4595 173.7356 22 N 4.3554 7.6618 116.8596 53.9173 39.4681 173.9576 23 A 4.7265 8.5888 127.0319 51.0412 19.7430 176.6515 24 T 4.4200 8.2414 112.6784 60.7199 71.6590 173.0724 25 K 4.7198 7.8807 124.7446 53.9001 31.5655 176.0429 26 R 4.1468 8.5987 122.2433 55.3114 31.6272 172.7274 27 R 3.8715 7.8055 127.1166 55.4865 30.0329 175.3039 28 F 4.6579 8.6212 124.4732 56.7166 40.3692 174.6825 29 L 4.6593 8.0183 121.1748 55.0114 42.5088 171.9340 30 P 4.8182 0.0000 0.0000 60.7488 33.4619 174.9070 31 N 4.6140 8.4852 117.6232 52.1084 37.2034 173.8800 32 L 5.3113 8.4424 123.0727 52.3508 43.9166 177.4917 33 H 4.6669 8.5510 119.8255 54.7605 28.4024 173.7294 34 S 3.8112 8.2341 118.5037 58.5957 62.3316 170.7346 35 H 4.7137 7.8748 122.4227 56.2038 32.7362 173.2561 36 R 4.7559 8.4198 125.6603 55.7963 30.9990 175.8487 37 F 5.0493 9.3648 122.8648 55.6151 41.8938 174.4646 38 W 5.3296 9.1653 132.1749 56.7982 31.1584 176.0098 39 V 3.7002 6.8289 118.2113 60.6112 33.3029 175.6534 40 E 3.1188 5.9000 122.4501 56.6099 27.1317 176.1301 41 S 3.6894 6.9422 110.8663 63.3860 63.4168 175.4090 42 E 3.8840 7.8415 127.3879 57.2479 30.2913 176.6828 43 K 3.4633 7.7292 117.9015 56.7111 30.9836 174.4989 44 R 4.9812 6.9870 111.7660 55.0457 33.3868 173.7477 45 F 5.2371 8.9054 118.5897 57.2868 40.1843 175.8844 46 V 4.5008 9.4127 117.4324 59.7535 34.0508 174.8129 47 T 5.2475 8.6129 121.0012 61.2710 68.2706 174.0015 48 L 4.6470 8.5764 127.7362 53.1535 45.4541 175.8816 49 R 4.0520 9.0385 123.6556 57.1876 30.1043 175.9555 50 V 4.9088 8.4019 118.5828 58.3059 35.3123 174.8992 51 S 5.4243 8.3843 111.9534 55.2838 65.8956 173.2621 52 A 4.2097 8.3592 123.9235 53.4299 19.0199 177.8539 53 K 4.2424 8.9889 125.7402 58.0060 32.1622 177.8919 54 G 4.3750 7.6826 103.1782 45.7054 0.0000 174.1328 55 M 4.5786 7.8148 120.0904 56.7832 33.7293 177.6206 56 R 4.1621 8.1644 117.4551 59.3914 30.3454 178.4069 57 V 3.8082 8.2557 119.4243 64.7668 31.3034 178.5317 58 I 3.7724 7.5781 119.6674 63.6143 36.7473 177.6862 59 D 4.5595 8.5860 119.3330 56.0694 40.7789 176.7003 60 K 4.0964 8.0060 119.2315 56.1789 32.5782 177.0247 61 K 3.9292 8.2821 120.3417 59.7477 33.2431 176.9229 62 G 4.0478 8.1076 107.4138 44.2229 0.0000 174.1837 63 I 3.2677 7.7073 115.7588 64.8828 37.9229 177.3422 64 D 4.3704 7.8320 119.7762 56.6927 41.0976 178.7204 65 T 3.8701 7.9039 115.7571 66.8701 68.2299 176.3687 66 V 3.8796 8.2829 120.3625 64.2323 31.5925 176.9676 67 L 4.4252 7.8830 118.2967 53.8343 41.9094 178.0049 68 A 4.1341 7.8831 122.8200 56.8334 18.6817 179.3445 69 E 4.2138 8.1320 116.1387 57.3345 30.2161 175.0928 70 L 3.9770 8.5244 120.1838 57.0226 40.5532 176.8616 71 R 3.6710 7.7622 117.4318 58.9976 30.3922 177.9374 72 A 4.3219 7.4539 116.8982 53.2932 18.1059 177.7017 73 R 4.4520 7.8649 112.6358 54.7851 33.2485 174.5766 74 G 3.5416 7.8406 104.9389 46.6791 0.0000 175.1342 75 E 4.5843 7.4483 117.0720 55.7767 30.2996 177.2986 76 K 3.2900 8.3120 119.6607 57.6223 33.2545 175.3741 77 Y 4.0482 8.4724 113.5606 57.9250 39.1998 169.9622 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 S 8.19 4.24 0.00 3.88 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 2 R 8.08 3.78 0.00 2.01 2.22 0.00 3.55 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 3 V 7.52 3.91 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 0.79 0.00 0.00 0.95 0.00 0.00 4 C 8.20 3.92 0.00 3.28 2.99 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 5 Q 7.22 3.90 0.00 2.54 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 6 V 7.79 3.72 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 0.94 0.00 0.00 0.88 0.00 0.00 7 T 7.85 4.36 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 8 G 8.32 4.03 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 0.00 0.00 0.00 9 K 7.51 4.11 0.00 1.88 1.75 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.41 7.81 10 R 8.09 4.95 0.00 1.75 1.81 0.00 3.22 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 11 P 0.00 4.35 0.00 2.19 2.10 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 12 V 8.64 4.63 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 0.82 0.00 0.00 1.06 0.00 0.00 13 T 8.76 4.30 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 14 G 8.59 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.87 5.33 0.00 2.62 2.71 0.00 0.00 6.79 8.00 0.00 0.00 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 N 8.46 4.19 0.00 2.71 2.83 0.00 0.00 7.04 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 17 R 8.14 3.61 0.00 1.94 1.95 0.00 3.37 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 18 S 7.87 4.40 0.00 3.97 4.03 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 19 H 8.26 4.20 0.00 3.14 3.31 0.00 6.01 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 9.18 3.87 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 21 L 7.47 3.95 0.00 1.83 1.96 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 22 N 7.66 4.36 0.00 2.58 2.79 0.00 0.00 6.86 7.42 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 23 A 8.59 4.73 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 24 T 8.24 4.42 4.22 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 1.20 0.00 0.00 25 K 7.88 4.72 0.00 1.65 1.75 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.44 7.81 26 R 8.60 4.15 0.00 1.56 1.93 0.00 2.81 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.86 0.00 27 R 7.81 3.87 0.00 1.91 1.92 0.00 3.20 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 28 F 8.62 4.66 0.00 3.16 2.95 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 29 L 8.02 4.66 0.00 1.71 1.66 0.95 0.62 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 30 P 0.00 4.82 0.00 2.19 2.08 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 31 N 8.49 4.61 0.00 3.00 3.08 0.00 0.00 5.82 6.67 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 32 L 8.44 5.31 0.00 1.61 1.59 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.55 4.67 0.00 3.21 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.23 3.81 0.00 4.08 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 35 H 7.87 4.71 0.00 3.29 3.20 0.00 5.86 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.42 4.76 0.00 1.48 1.82 0.00 3.19 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 37 F 9.36 5.05 0.00 3.11 3.04 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 0.00 38 W 9.17 5.33 0.00 3.51 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 39 V 6.83 3.70 1.82 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 0.63 0.00 0.00 0.64 0.00 0.00 40 E 5.90 3.12 0.00 1.82 1.83 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 1.76 2.14 0.00 41 S 6.94 3.69 0.00 3.71 3.71 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 42 E 7.84 3.88 0.00 1.88 1.92 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 2.31 2.30 0.00 43 K 7.73 3.46 0.00 2.04 1.88 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.23 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.57 7.81 44 R 6.99 4.98 0.00 2.02 2.06 0.00 3.11 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 45 F 8.91 5.24 0.00 3.10 3.07 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 46 V 9.41 4.50 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 0.82 0.00 0.00 1.03 0.00 0.00 47 T 8.61 5.25 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 1.30 0.00 0.00 48 L 8.58 4.65 0.00 1.57 1.53 0.60 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 49 R 9.04 4.05 0.00 1.73 1.96 0.00 3.18 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 50 V 8.40 4.91 2.26 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 1.04 0.00 0.00 1.12 0.00 0.00 51 S 8.38 5.42 0.00 3.94 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 52 A 8.36 4.21 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.99 4.24 0.00 1.94 1.92 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.36 7.81 54 G 7.68 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 55 M 7.81 4.58 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.74 0.00 56 R 8.16 4.16 0.00 1.81 2.08 0.00 3.24 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 57 V 8.26 3.81 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 0.74 0.00 0.00 0.92 0.00 0.00 58 I 7.58 3.77 1.97 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.89 0.68 0.00 0.00 59 D 8.59 4.56 0.00 2.80 2.75 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 60 K 8.01 4.10 0.00 1.90 1.68 0.00 1.84 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 1.37 1.45 7.81 61 K 8.28 3.93 0.00 1.85 1.87 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.48 7.81 62 G 8.11 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 63 I 7.71 3.27 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.48 0.94 0.00 0.00 64 D 7.83 4.37 0.00 2.65 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 65 T 7.90 3.87 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 1.22 0.00 0.00 66 V 8.28 3.88 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 0.94 0.00 0.00 0.86 0.00 0.00 67 L 7.88 4.43 0.00 1.62 1.53 0.70 -0.64 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 68 A 7.88 4.13 1.32 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 69 E 8.13 4.21 0.00 2.10 1.95 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 2.40 2.39 0.00 70 L 8.52 3.98 0.00 2.19 2.02 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.76 3.67 0.00 1.69 1.92 0.00 3.09 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.38 0.00 72 A 7.45 4.32 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 73 R 7.86 4.45 0.00 1.86 1.89 0.00 3.30 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 74 G 7.84 3.54 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 0.00 75 E 7.45 4.58 0.00 2.00 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 2.21 2.46 0.00 76 K 8.31 3.29 0.00 1.98 1.79 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.52 7.81 77 Y 8.47 4.05 0.00 3.31 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