NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5586 8.1633 120.2756 55.5529 33.7659 174.0347 2 V 4.8047 8.1707 115.1879 58.8907 36.5781 172.4744 3 R 4.4247 9.5115 118.1529 55.5922 33.5297 173.2042 4 D 4.6399 8.8302 123.8671 53.3209 41.6526 175.2565 5 A 3.2424 6.5808 124.4033 50.4266 23.8742 174.7653 6 Y 3.8732 8.6242 116.2822 56.8727 37.9614 174.9829 7 I 3.8474 7.3247 124.2232 61.0446 39.3570 174.3422 8 A 5.1193 8.3418 128.8835 50.5656 22.0171 175.3825 9 K 4.6503 8.2109 119.8388 54.7499 34.8857 175.9241 10 N 3.7017 8.4207 114.2106 56.5666 39.1731 175.0220 11 Y 4.6336 7.0735 113.7427 56.8539 38.6343 175.2328 12 N 4.4635 8.3466 113.3811 54.2068 39.0841 172.7598 13 C 4.7122 7.7285 114.0870 55.9657 41.4659 173.9110 14 V 5.1577 8.0247 116.1333 60.8480 31.9483 176.7151 15 Y 4.1416 8.4209 119.9442 56.4569 36.1283 174.1711 16 E 4.7710 8.7428 121.4399 56.2861 30.0951 175.6224 17 C 4.7882 8.7913 116.6336 53.6337 45.0949 172.9430 18 F 4.5525 8.8337 118.3997 57.9568 40.8849 174.5926 19 R 5.1641 8.0975 117.6449 53.7113 34.2220 175.4862 20 D 4.5880 9.2106 119.9815 57.3499 40.4525 179.1845 21 A 4.0338 8.1543 120.4030 55.8463 18.7964 178.0332 22 Y 3.9596 8.0094 117.2337 61.3701 38.7052 177.3951 23 C 3.9538 8.5480 118.0868 60.0723 38.2488 175.2662 24 N 4.2070 7.9606 117.7993 57.1141 38.1910 176.2552 25 E 3.8495 7.9330 118.9741 59.6521 30.0000 177.7645 26 L 3.7103 7.5832 120.4067 56.7988 42.0708 178.8419 27 C 3.7262 8.3789 117.9695 60.3367 44.0040 176.5322 28 T 3.7307 7.6916 110.6581 64.8696 67.9331 176.3022 29 K 3.9112 7.7526 120.2296 59.2661 32.1392 177.8597 30 N 4.3686 7.8245 113.7682 54.2400 38.7183 175.6300 31 G 3.9836 8.0072 107.1314 45.2556 0.0000 173.7859 32 A 5.2198 7.4168 122.8429 50.7207 21.0562 176.7536 33 S 4.4984 7.9387 108.0009 59.6830 63.5260 175.9515 34 S 4.6524 7.5092 112.3269 57.9715 66.9514 174.7191 35 G 4.6514 8.7308 108.6649 45.1263 0.0000 170.1811 36 Y 5.1567 8.5365 116.9910 56.2776 41.9616 172.9954 37 C 4.6783 8.9478 116.2696 55.2792 42.8944 174.4105 38 Q 4.2553 7.5655 122.0057 53.9085 30.0890 174.4026 39 W 5.2639 7.9399 124.5433 56.8852 30.4945 171.9103 40 A 3.7057 9.3018 133.6282 50.7492 19.3949 178.6835 41 G 3.7097 8.2475 108.6670 44.2281 0.0000 173.4628 42 K 3.7565 7.2978 119.0529 58.7495 32.0656 177.4464 43 Y 4.5935 5.8652 114.9058 55.4306 40.1066 178.2036 44 G 3.8563 8.2771 112.2220 47.3228 0.0000 175.1513 45 N 5.4754 9.3388 124.8977 51.9459 40.0949 174.1767 46 A 5.1464 8.7833 129.1830 50.8757 22.7127 174.4788 47 C 4.5637 8.3767 115.2261 55.2752 47.0475 174.5493 48 W 3.8876 7.8894 135.0000 56.3128 30.9937 173.9405 49 C 4.7274 7.4885 128.7694 55.4856 39.0106 172.5400 50 Y 4.3232 8.7789 123.7020 56.6435 39.8988 175.0370 51 A 4.0234 8.7182 122.1619 53.0440 17.0739 177.0178 52 L 4.4420 7.5587 123.4327 53.6980 43.5704 174.2584 53 P 5.2049 0.0000 0.0000 62.3380 31.6912 177.0016 54 D 4.4623 8.6060 120.7391 56.5560 40.8127 176.9193 55 N 4.5585 8.0117 115.0841 53.3495 37.6671 174.4995 56 V 4.4833 7.4492 120.0673 60.4103 33.6368 173.5276 57 P 4.5770 0.0000 0.0000 62.9146 32.8617 175.4652 58 I 4.9873 7.9204 115.2123 58.9136 40.8264 174.0546 59 R 4.1384 8.4369 122.9092 56.2628 30.0172 176.7495 60 V 4.2194 8.1500 119.0220 58.8091 33.4323 174.1987 61 P 4.4610 0.0000 0.0000 63.7286 32.1069 176.5737 62 G 4.2091 8.6668 120.6054 45.9779 0.0000 173.1601 63 K 4.4195 8.7358 122.2282 56.8635 36.1374 172.8400 64 C 5.5399 8.1951 112.6983 56.5351 44.1852 173.6914 65 R 4.0262 8.5629 119.0097 56.5280 29.6578 175.7022 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 M 8.16 4.56 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 2 V 8.17 4.80 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 0.47 0.00 0.00 0.94 0.00 0.00 3 R 9.51 4.42 0.00 1.76 1.94 0.00 2.70 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 0.00 4 D 8.83 4.64 0.00 2.90 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 0.00 0.00 0.00 0.00 5 A 6.58 3.24 0.92 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 6 Y 8.62 3.87 0.00 2.96 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 7 I 7.32 3.85 1.61 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.28 0.98 0.00 0.00 8 A 8.34 5.12 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 9 K 8.21 4.65 0.00 1.74 1.54 0.00 1.38 0.00 0.00 1.01 0.00 0.00 2.58 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.96 1.25 7.81 10 N 8.42 3.70 0.00 2.51 1.88 0.00 0.00 6.65 7.46 0.00 0.00 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 Y 7.07 4.63 0.00 3.05 2.86 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 12 N 8.35 4.46 0.00 2.91 3.17 0.00 0.00 7.18 8.26 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 13 C 7.73 4.71 0.00 3.01 2.98 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 14 V 8.02 5.16 2.22 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 1.11 0.00 0.00 1.14 0.00 0.00 15 Y 8.42 4.14 0.00 2.99 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 16 E 8.74 4.77 0.00 1.91 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 2.37 2.29 0.00 17 C 8.79 4.79 0.00 3.19 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 18 F 8.83 4.55 0.00 2.96 2.93 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 19 R 8.10 5.16 0.00 2.05 1.90 0.00 3.23 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 20 D 9.21 4.59 0.00 2.93 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 4.03 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 22 Y 8.01 3.96 0.00 3.21 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.55 3.95 0.00 3.10 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.96 4.21 0.00 2.91 3.01 0.00 0.00 6.93 8.39 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 25 E 7.93 3.85 0.00 1.95 1.71 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 2.23 2.24 0.00 26 L 7.58 3.71 0.00 1.35 1.36 0.44 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.38 3.73 0.00 2.89 3.02 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 0.00 0.00 0.00 0.00 28 T 7.69 3.73 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 1.23 0.00 0.00 29 K 7.75 3.91 0.00 1.90 1.81 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.48 7.81 30 N 7.82 4.37 0.00 2.73 2.76 0.00 0.00 7.07 7.38 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 31 G 8.01 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 0.00 0.00 0.00 32 A 7.42 5.22 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 33 S 7.94 4.50 0.00 3.86 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 34 S 7.51 4.65 0.00 3.78 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.54 5.16 0.00 3.46 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 37 C 8.95 4.68 0.00 2.53 1.18 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.57 4.26 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.09 0.00 0.00 0.00 0.00 0.00 2.80 2.71 0.00 39 W 7.94 5.26 0.00 3.36 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 40 A 9.30 3.71 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.25 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 0.00 0.00 0.00 42 K 7.30 3.76 0.00 0.96 1.59 0.00 1.48 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.08 7.81 43 Y 5.87 4.59 0.00 3.17 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 44 G 8.28 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 45 N 9.34 5.48 0.00 2.86 3.19 0.00 0.00 6.20 7.13 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 46 A 8.78 5.15 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 47 C 8.38 4.56 0.00 3.32 2.86 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 48 W 7.89 3.89 0.00 2.22 1.74 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 49 C 7.49 4.73 0.00 2.68 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.78 4.32 0.00 3.37 2.86 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 51 A 8.72 4.02 1.38 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 52 L 7.56 4.44 0.00 1.51 1.49 0.75 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 5.20 0.00 2.42 2.12 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 54 D 8.61 4.46 0.00 2.64 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 55 N 8.01 4.56 0.00 2.80 2.90 0.00 0.00 5.78 7.64 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 56 V 7.45 4.48 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 0.69 0.00 0.00 0.93 0.00 0.00 57 P 0.00 4.58 0.00 2.14 2.13 0.00 3.68 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 2.06 1.93 0.00 58 I 7.92 4.99 1.80 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 1.20 0.71 0.78 0.00 0.00 59 R 8.44 4.14 0.00 1.93 2.06 0.00 3.35 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 60 V 8.15 4.22 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 0.94 0.00 0.00 0.99 0.00 0.00 61 P 0.00 4.46 0.00 2.18 2.12 0.00 3.90 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 62 G 8.67 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.74 4.42 0.00 1.72 1.73 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.41 7.81 64 C 8.20 5.54 0.00 3.28 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 65 R 8.56 4.03 0.00 1.41 1.94 0.00 2.21 0.00 0.00 2.62 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.30 0.00