NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3650 8.3049 120.3717 58.6636 33.4648 176.5148 2 I 2.7350 7.1870 111.5764 61.1099 36.9040 169.9044 3 V 3.4954 8.6356 124.6626 62.1489 32.7242 173.9338 4 P 4.2589 0.0000 0.0000 62.6517 31.6621 176.1852 5 V 3.7222 8.3231 123.1596 63.4799 32.2564 173.2898 6 R 3.9966 8.4413 129.4472 54.7102 29.8449 175.1485 7 C 4.1068 8.2367 120.0265 58.4749 32.2034 173.5918 8 F 4.3604 8.3061 126.6293 61.4364 38.3023 176.8728 9 S 4.1351 7.8815 115.2710 61.1880 63.2719 175.0145 10 C 4.4035 7.9388 112.3433 57.4620 30.1926 175.5680 11 G 4.0102 8.5710 108.8864 45.5860 0.0000 174.0958 12 K 3.9766 7.5327 121.2669 56.0899 32.5233 176.2972 13 V 3.6452 8.0462 119.3379 62.3231 32.0773 176.5772 14 V 4.3795 8.0001 117.9758 63.5322 35.4886 174.7685 15 G 3.7392 8.3099 108.5079 49.4468 0.0000 174.5076 16 D 4.4154 8.0053 119.8522 55.9878 39.7644 178.3633 17 K 3.8597 8.1834 119.2290 56.9878 32.6709 178.3259 18 W 4.5083 8.8695 130.4482 60.6071 30.5121 177.3925 19 E 3.7888 8.3958 117.0298 60.1662 29.2807 178.8817 20 S 4.0400 8.3013 113.5856 62.1432 62.9967 175.8478 21 Y 4.0882 8.1762 121.0965 61.0951 38.2196 178.7025 22 L 3.6096 7.7046 119.9480 56.9333 41.8705 178.2317 23 N 4.3844 8.0263 116.4870 55.6615 38.7500 177.1853 24 L 4.0728 7.0742 114.9596 55.8267 41.0288 177.5494 25 L 4.3763 7.6435 117.4276 56.3615 44.4547 178.7291 26 Q 3.8270 7.9442 120.4651 59.2161 29.4613 177.1748 27 E 3.8928 7.6136 119.3769 57.6513 29.5418 177.0206 28 D 4.3308 8.6559 118.4733 55.4692 42.4170 177.0872 29 E 3.8449 8.1381 118.3530 56.6009 27.1420 173.5171 30 L 4.6087 7.2589 118.6384 53.2282 44.9405 176.5177 31 D 4.9186 7.6205 116.3129 51.7617 42.5091 176.7206 32 E 4.0791 8.8666 122.3110 60.2107 28.3237 180.0667 33 G 4.0308 8.1376 104.9752 47.7373 0.0000 174.6844 34 T 4.4861 7.9100 109.9261 63.2891 69.8887 176.2652 35 A 3.7685 7.9021 122.6404 55.2181 18.5227 179.5065 36 L 4.1689 8.0500 116.7323 58.3044 41.9685 179.7021 37 S 4.1713 7.5329 115.1056 61.6984 62.5001 176.9244 38 R 3.9450 8.6633 121.6627 59.4167 29.9310 177.9464 39 L 4.4209 7.5712 114.9282 54.7042 41.4708 177.7350 40 G 3.9157 7.7067 106.3484 46.0663 0.0000 175.3398 41 L 4.2768 7.5286 120.8838 52.8302 39.5265 176.3919 42 K 3.9880 7.5082 123.2632 58.1085 33.2465 176.8248 43 R 4.3657 7.7286 114.2418 55.3862 31.1542 177.3805 44 Y 4.3364 9.1898 119.3629 60.6170 37.1871 178.7646 45 C 3.9278 7.4899 115.1967 61.4503 29.8979 175.1958 46 C 4.2017 8.0442 118.9625 62.3087 27.9945 175.6270 47 R 3.8611 8.0544 119.1446 59.7013 29.4543 178.6955 48 R 3.9680 8.7078 116.3389 59.7036 28.9983 178.1802 49 M 3.9395 7.8107 118.7804 58.5807 32.1272 178.2564 50 I 3.7367 7.3909 119.2288 64.1890 37.3209 178.0522 51 L 4.0379 7.8576 118.6791 57.5390 41.8443 177.2191 52 T 4.4878 7.3561 113.0159 64.1543 70.7849 174.3295 53 H 3.9586 7.6198 119.8370 56.5062 30.0124 174.8145 54 V 4.2229 8.0818 126.3821 60.9131 31.9668 175.7101 55 D 4.8912 8.3232 132.4284 53.5906 39.6145 176.9868 56 L 3.8939 8.0688 123.1503 58.2334 42.0492 179.1336 57 I 4.2688 8.3165 117.9225 64.6681 37.9621 176.9374 58 E 4.0363 8.1692 118.7763 59.8248 29.1392 179.7445 59 K 4.0829 8.5578 117.5252 58.9806 32.0946 179.4169 60 F 4.6480 7.8952 117.1817 60.8323 39.3765 176.8126 61 L 4.2488 8.8366 118.9491 58.2246 41.1885 179.5915 62 R 4.0005 7.3898 112.6487 55.8711 29.7985 175.7949 63 Y 3.9704 8.4064 116.6308 58.3877 37.4657 175.2748 64 N 4.9573 9.5279 125.9984 54.1504 45.7800 171.2798 65 P 4.4607 0.0000 0.0000 63.0204 31.5631 176.9987 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 8.30 4.37 0.00 1.96 2.25 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.65 0.00 2 I 7.19 2.73 1.83 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 1.19 0.68 0.86 0.00 0.00 3 V 8.64 3.50 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 0.75 0.00 0.00 0.37 0.00 0.00 4 P 0.00 4.26 0.00 1.89 1.95 0.00 3.60 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.00 0.00 5 V 8.32 3.72 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 0.80 0.00 0.00 0.93 0.00 0.00 6 R 8.44 4.00 0.00 2.01 2.05 0.00 3.31 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 7 C 8.24 4.11 0.00 2.84 2.74 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 8 F 8.31 4.36 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.88 4.14 0.00 3.83 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 10 C 7.94 4.40 0.00 3.06 3.10 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 0.00 0.00 0.00 0.00 11 G 8.57 4.01 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 0.00 0.00 0.00 12 K 7.53 3.98 0.00 1.84 1.68 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.40 7.81 13 V 8.05 3.65 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 0.73 0.00 0.00 0.93 0.00 0.00 14 V 8.00 4.38 2.03 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 0.65 0.00 0.00 0.92 0.00 0.00 15 G 8.31 3.74 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 0.00 0.00 0.00 16 D 8.01 4.42 0.00 2.95 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 17 K 8.18 3.86 0.00 1.92 2.01 0.00 1.59 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.65 7.81 18 W 8.87 4.51 0.00 3.22 3.10 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 0.00 0.00 0.00 0.00 19 E 8.40 3.79 0.00 2.04 2.02 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 2.35 2.55 0.00 20 S 8.30 4.04 0.00 3.91 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 21 Y 8.18 4.09 0.00 3.09 3.16 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 22 L 7.70 3.61 0.00 1.21 1.27 0.39 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.03 4.38 0.00 2.92 2.74 0.00 0.00 6.84 6.31 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 24 L 7.07 4.07 0.00 1.62 1.60 0.91 0.50 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 25 L 7.64 4.38 0.00 1.39 1.32 0.66 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.94 3.83 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 27 E 7.61 3.89 0.00 1.97 1.73 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 2.33 2.29 0.00 28 D 8.66 4.33 0.00 2.61 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 29 E 8.14 3.84 0.00 1.94 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 2.24 2.54 0.00 30 L 7.26 4.61 0.00 1.91 1.54 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.62 4.92 0.00 2.83 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 32 E 8.87 4.08 0.00 2.14 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 0.00 2.54 2.57 0.00 33 G 8.14 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 34 T 7.91 4.49 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 1.24 0.00 0.00 35 A 7.90 3.77 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.05 4.17 0.00 1.81 1.77 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.53 4.17 0.00 4.15 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 38 R 8.66 3.94 0.00 1.80 2.16 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 39 L 7.57 4.42 0.00 1.87 1.72 1.18 1.04 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 40 G 7.71 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 41 L 7.53 4.28 0.00 1.67 1.65 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.51 3.99 0.00 1.72 1.67 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.45 7.81 43 R 7.73 4.37 0.00 1.78 1.99 0.00 3.14 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.34 0.00 44 Y 9.19 4.34 0.00 3.27 3.18 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 45 C 7.49 3.93 0.00 3.03 2.81 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 0.00 0.00 0.00 46 C 8.04 4.20 0.00 2.97 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.05 3.86 0.00 1.97 2.03 0.00 3.31 0.00 0.00 3.46 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 48 R 8.71 3.97 0.00 1.93 2.21 0.00 3.05 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 49 M 7.81 3.94 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 50 I 7.39 3.74 1.63 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 1.32 0.98 0.27 0.00 0.00 51 L 7.86 4.04 0.00 1.62 1.87 1.00 0.90 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 52 T 7.36 4.49 4.31 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 1.24 0.00 0.00 53 H 7.62 3.96 0.00 3.05 2.97 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.08 4.22 2.12 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 0.90 0.00 0.00 1.05 0.00 0.00 55 D 8.32 4.89 0.00 2.68 2.73 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 56 L 8.07 3.89 0.00 1.98 1.33 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.32 4.27 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.48 1.08 0.00 0.00 58 E 8.17 4.04 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 2.64 2.65 0.00 59 K 8.56 4.08 0.00 1.62 1.75 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 60 F 7.90 4.65 0.00 3.27 3.08 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 0.00 0.00 0.00 0.00 61 L 8.84 4.25 0.00 1.93 1.84 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.39 4.00 0.00 1.91 1.93 0.00 3.20 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 63 Y 8.41 3.97 0.00 3.19 2.77 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 64 N 9.53 4.96 0.00 2.71 2.56 0.00 0.00 6.92 7.69 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 65 P 0.00 4.46 0.00 2.23 2.04 0.00 3.91 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 2.01 1.98 0.00