NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3301 8.4449 120.2258 55.9330 30.0485 175.2904 4 R 3.9805 8.3441 124.0439 54.5757 31.1512 175.8170 5 P 4.1981 0.0000 0.0000 66.1937 32.1852 178.6854 6 L 3.9538 7.8962 116.8226 57.6163 41.5178 179.2196 7 D 4.3277 8.0757 119.0191 57.3502 40.5806 178.8438 8 V 3.5520 7.6498 116.7943 66.0518 31.8516 177.6339 9 I 3.6383 7.5522 119.4176 64.5357 36.7653 177.7304 10 H 4.1375 8.1902 119.3377 59.4458 29.5028 176.8920 11 R 4.1694 7.8235 116.6646 57.4771 30.2735 177.7510 12 S 4.5380 7.7801 114.9742 57.2283 63.3860 173.8593 13 L 4.3246 6.9098 123.0529 56.3741 41.7532 177.3730 14 D 4.6127 9.4884 121.9476 54.4726 39.6213 173.8782 15 K 4.6992 7.7602 118.8649 54.2259 35.5483 175.0108 16 D 5.0422 8.4835 121.8899 54.5933 42.4723 175.4331 17 V 5.0070 9.3174 118.0703 59.5280 36.7338 173.9002 18 L 5.0794 8.8434 124.5797 53.3628 44.7166 175.1667 19 V 4.8066 9.2880 126.8161 61.3186 33.8632 174.1639 20 I 4.5636 8.8973 130.4120 60.5370 38.7552 175.5487 21 L 5.1617 8.6780 126.5693 52.2432 44.9380 176.7453 22 K 4.5603 7.9640 117.8795 57.5516 32.6697 177.6148 23 K 4.5641 8.2082 116.0467 56.6943 33.4303 178.1174 24 G 3.9490 8.5116 107.8176 45.3165 0.0000 173.6253 25 F 4.9284 7.6365 117.9809 56.6420 41.4024 174.4121 26 E 5.1855 8.6706 116.6996 55.6290 33.2156 173.9544 27 F 5.5324 9.5042 119.4795 55.8497 42.8900 174.3441 28 R 5.0001 9.0626 122.1302 54.8540 33.6033 174.6432 29 G 3.9815 8.3070 111.2902 46.4072 0.0000 171.0250 30 R 4.8867 8.0420 120.8979 54.8781 31.5317 175.8712 31 L 4.7379 8.8113 129.9513 55.2512 42.6680 176.7603 32 I 4.4654 8.3967 119.7959 60.3176 38.7757 175.1659 33 G 4.1628 7.6405 109.2348 46.6584 0.0000 171.4563 34 Y 5.4158 7.7669 117.4661 56.8130 40.5131 172.1281 35 D 4.7115 8.5761 118.0612 51.1277 42.6782 176.1938 36 I 3.7105 8.2673 118.7542 63.9903 37.8192 176.0042 37 H 4.5271 8.1917 115.3511 56.2329 28.8208 175.7483 38 L 3.9080 8.3427 118.9122 55.1847 39.6209 173.9933 39 N 4.9067 8.2054 116.1576 53.3780 39.8521 174.5769 40 V 5.0424 8.6745 114.7410 59.6265 36.6983 174.4447 41 V 4.7604 8.7121 122.2094 61.1893 33.9626 174.3835 42 L 5.3107 9.0160 127.2938 52.8659 45.2872 175.1784 43 A 4.9460 8.9405 123.7385 50.6130 21.9318 175.8717 44 D 4.6680 8.7957 119.9018 55.4981 39.0361 173.1469 45 A 5.2006 8.4379 121.3221 50.4234 22.8058 177.0633 46 E 5.2429 9.6645 119.0356 54.8157 33.3116 174.8399 47 M 4.7395 9.5443 124.1338 54.4671 34.2137 174.7371 48 I 5.0603 9.0071 126.5814 59.5247 41.2716 174.4189 49 Q 3.8111 8.6864 126.5890 54.3325 31.9352 174.7811 50 D 4.1230 8.8706 127.0450 55.5117 38.9793 174.9543 51 G 3.9211 8.5259 103.9281 45.5166 0.0000 173.6600 52 E 4.6182 7.6794 118.3131 53.8189 32.9206 175.4088 53 V 4.2282 8.3578 122.2759 63.2069 31.7087 175.9334 54 V 4.2441 8.3804 121.1105 62.0617 33.0489 175.7485 55 K 4.3054 7.4569 119.2908 55.9056 35.3203 173.6453 56 R 5.2427 8.1831 121.2684 54.7225 34.2915 174.4425 57 Y 4.7045 9.5189 118.5090 56.3051 41.9846 176.7013 58 G 3.7123 9.0338 110.9314 49.1406 0.0000 173.1869 59 K 5.2179 7.8600 119.0048 55.1132 35.4958 175.0493 60 I 4.3771 8.7888 125.5125 59.7852 41.9773 173.1428 61 V 4.6227 8.2196 128.7736 61.3981 33.0558 174.5361 62 I 4.3840 8.3898 129.4032 59.3081 39.6472 175.5421 63 R 4.5871 8.5789 126.6628 55.6925 30.7194 177.8026 64 G 3.7702 9.8087 113.0230 48.6470 0.0000 174.9715 65 D 4.2722 8.1631 118.1718 56.7560 40.9921 176.3907 66 N 4.7020 8.1468 114.7836 53.0845 39.1813 174.6193 67 V 4.3274 7.6867 119.5657 62.2913 32.5652 175.3618 68 L 4.4928 9.0752 127.2276 56.8889 42.6282 176.4427 69 A 4.6547 7.5420 117.5790 51.2040 22.9243 174.9958 70 I 5.0779 8.1571 118.9147 59.7821 41.0378 175.0343 71 S 4.7027 9.1661 121.7439 55.6352 65.1296 171.4121 72 P 4.5093 0.0000 0.0000 63.7645 32.0563 176.6746 73 T 3.8233 9.0077 120.2538 64.2754 69.1545 171.9961 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 E 8.44 4.33 0.00 1.97 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 2.21 2.34 0.00 4 R 8.34 3.98 0.00 1.96 1.84 0.00 3.17 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 5 P 0.00 4.20 0.00 2.13 2.12 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 6 L 7.90 3.95 0.00 1.66 1.74 1.10 1.10 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 7 D 8.08 4.33 0.00 2.89 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 8 V 7.65 3.55 2.19 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 0.83 0.00 0.00 0.94 0.00 0.00 9 I 7.55 3.64 1.47 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.83 0.04 0.00 0.00 10 H 8.19 4.14 0.00 3.37 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.82 4.17 0.00 1.82 1.95 0.00 3.23 0.00 0.00 3.45 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 12 S 7.78 4.54 0.00 3.95 3.84 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 13 L 6.91 4.32 0.00 1.57 1.63 1.00 1.24 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 14 D 9.49 4.61 0.00 2.81 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.76 4.70 0.00 1.81 1.68 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.50 7.81 16 D 8.48 5.04 0.00 2.74 2.54 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 17 V 9.32 5.01 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 0.67 0.00 0.00 1.00 0.00 0.00 18 L 8.84 5.08 0.00 1.75 1.66 1.05 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.29 4.81 2.27 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 0.91 0.00 0.00 0.98 0.00 0.00 20 I 8.90 4.56 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.47 0.93 0.00 0.00 21 L 8.68 5.16 0.00 1.76 1.60 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.96 4.56 0.00 1.84 1.91 0.00 1.55 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.48 7.81 23 K 8.21 4.56 0.00 2.00 1.91 0.00 1.50 0.00 0.00 1.45 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.35 7.81 24 G 8.51 3.95 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 0.00 0.00 0.00 25 F 7.64 4.93 0.00 3.06 2.83 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 0.00 0.00 0.00 26 E 8.67 5.19 0.00 2.10 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 2.13 2.24 0.00 27 F 9.50 5.53 0.00 3.03 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 28 R 9.06 5.00 0.00 1.90 1.79 0.00 3.18 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 29 G 8.31 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 30 R 8.04 4.89 0.00 1.93 1.82 0.00 3.31 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 31 L 8.81 4.74 0.00 1.84 1.72 1.07 0.52 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 32 I 8.40 4.47 1.88 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 1.29 0.83 0.92 0.00 0.00 33 G 7.64 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.77 5.42 0.00 3.03 2.91 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 35 D 8.58 4.71 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.27 3.71 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.83 0.71 0.00 0.00 37 H 8.19 4.53 0.00 3.40 3.31 0.00 5.76 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.34 3.91 0.00 1.83 1.88 0.99 1.01 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 39 N 8.21 4.91 0.00 2.94 2.74 0.00 0.00 6.78 7.68 0.00 0.00 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 V 8.67 5.04 2.11 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 0.82 0.00 0.00 0.92 0.00 0.00 41 V 8.71 4.76 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 1.08 0.00 0.00 0.91 0.00 0.00 42 L 9.02 5.31 0.00 1.45 1.48 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.94 4.95 1.20 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 0.00 0.00 44 D 8.80 4.67 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.44 5.20 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 46 E 9.66 5.24 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 47 M 9.54 4.74 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.58 0.00 48 I 9.01 5.06 1.82 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.74 0.90 0.00 0.00 49 Q 8.69 3.81 0.00 1.18 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.30 0.00 0.00 0.00 0.00 0.00 1.83 1.19 0.00 50 D 8.87 4.12 0.00 2.84 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.53 3.92 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 0.00 52 E 7.68 4.62 0.00 2.09 1.76 0.00 0.00 0.00 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 2.16 0.00 53 V 8.36 4.23 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 0.85 0.00 0.00 0.94 0.00 0.00 54 V 8.38 4.24 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 0.74 0.00 0.00 1.11 0.00 0.00 55 K 7.46 4.31 0.00 1.77 1.62 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.61 1.14 7.81 56 R 8.18 5.24 0.00 1.60 1.76 0.00 3.21 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 57 Y 9.52 4.70 0.00 2.82 2.79 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 58 G 9.03 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 59 K 7.86 5.22 0.00 1.74 1.64 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.52 7.81 60 I 8.79 4.38 1.55 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.77 0.54 0.00 0.00 61 V 8.22 4.62 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 0.82 0.00 0.00 0.88 0.00 0.00 62 I 8.39 4.38 1.78 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.41 0.94 0.00 0.00 63 R 8.58 4.59 0.00 1.86 1.85 0.00 3.12 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 64 G 9.81 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.27 0.00 2.64 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.15 4.70 0.00 2.85 2.84 0.00 0.00 6.46 7.70 0.00 0.00 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 V 7.69 4.33 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 0.88 0.00 0.00 0.98 0.00 0.00 68 L 9.08 4.49 0.00 1.65 1.71 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.54 4.65 1.21 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 70 I 8.16 5.08 1.85 0.00 0.00 0.85 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 0.71 0.94 0.00 0.00 71 S 9.17 4.70 0.00 3.82 3.67 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 72 P 0.00 4.51 0.00 1.96 1.95 0.00 3.87 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 73 T 9.01 3.82 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