NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3132 8.4449 120.2248 56.0815 29.9645 175.7888 4 R 3.9862 8.3848 123.2645 54.2670 32.3501 174.5351 5 P 4.1696 0.0000 0.0000 66.2604 31.7300 178.7222 6 L 3.8874 7.8479 116.7287 57.7076 41.5566 179.2202 7 D 4.3235 7.9839 118.4660 57.4104 40.6342 178.7671 8 V 3.5731 7.4608 117.4379 65.8914 31.6665 177.9724 9 I 3.6564 7.4029 119.2312 64.6104 37.0546 177.5599 10 H 4.0911 8.1061 119.3713 59.7246 29.3966 177.1324 11 R 4.0823 7.7777 117.5455 58.2146 30.1891 178.0477 12 S 4.4411 8.1047 114.5244 57.5043 63.2763 173.9155 13 L 4.2730 6.9884 121.8919 56.6370 41.8111 177.3425 14 D 4.4775 9.4501 120.9530 54.7006 39.5523 173.5662 15 K 4.7046 7.9843 119.0406 54.0740 36.0683 174.8276 16 D 4.9620 8.4610 121.4156 54.6444 42.2460 175.3975 17 V 4.9724 8.9035 117.8457 59.6295 36.9948 173.7976 18 L 4.8718 8.9750 124.5549 53.4094 44.5434 175.1734 19 V 4.7318 9.0914 127.2059 61.3787 33.5334 174.2283 20 I 4.4195 8.6683 130.5703 60.3847 38.7067 175.5102 21 L 4.8934 8.2798 127.3100 52.4413 44.0953 176.3567 22 K 4.5667 7.9643 119.0359 57.8750 31.9603 177.5502 23 K 4.5301 8.3473 117.5252 56.6344 34.2278 177.4656 24 G 4.1226 8.3219 106.2150 44.7281 0.0000 172.5843 25 F 5.2440 7.9026 113.8805 55.3219 42.1705 172.8572 26 E 4.8320 9.0837 115.3857 55.3704 33.5557 173.9041 27 F 5.5343 9.2406 118.3313 55.7970 42.8877 174.6631 28 R 5.0219 9.1248 121.7096 54.6669 33.7764 174.7224 29 G 4.0073 7.9710 110.6737 46.6098 0.0000 170.7869 30 R 4.8732 7.9764 120.7364 54.9660 31.7185 176.0504 31 L 4.7920 8.9278 129.7415 55.1116 42.6244 176.6217 32 I 4.4965 8.2435 119.6416 60.1093 38.7115 175.2034 33 G 4.0986 7.5871 109.5699 46.6884 0.0000 171.4452 34 Y 5.2964 7.5949 117.3451 56.8474 40.4448 171.9952 35 D 4.8267 8.6264 118.8172 51.1698 42.6965 176.3493 36 I 3.7616 8.2693 111.9140 63.6797 37.3676 176.4254 37 H 4.5474 8.1950 116.3645 55.7059 28.8892 175.2382 38 L 3.8189 8.1486 118.6349 55.5243 39.5128 174.2164 39 N 4.8976 8.3528 116.2744 53.5215 39.8340 174.7766 40 V 5.0032 8.8043 114.4959 59.7267 36.9085 174.3813 41 V 4.8259 8.6304 122.0780 61.1835 34.1949 174.4123 42 L 5.4373 8.9915 126.6755 52.8904 45.6679 175.2594 43 A 4.9922 9.0399 123.6722 50.3741 22.1698 175.8734 44 D 4.5490 8.5845 118.4980 55.3399 39.1507 173.9265 45 A 4.9083 8.3301 120.6331 51.4244 21.4789 177.8078 46 E 5.1046 9.5936 119.2813 54.7963 33.4069 174.7477 47 M 4.9013 9.5289 125.8426 55.0149 33.7424 174.6793 48 I 5.0680 9.0777 127.4556 59.7341 40.4230 174.8291 49 Q 4.5781 8.7857 124.9857 54.5083 32.5697 175.1965 50 D 4.1038 9.8978 124.9025 55.4499 38.3335 175.1519 51 G 4.0022 8.6094 106.5327 45.3477 0.0000 173.8395 52 E 4.6208 7.6822 119.5590 54.0621 31.8002 175.5134 53 V 4.1619 8.3370 122.7297 63.1974 31.6445 175.8338 54 V 4.3615 8.6021 120.7440 61.6670 33.2308 176.1163 55 K 4.5831 7.6795 118.3080 55.2236 36.5782 174.8927 56 R 5.1045 7.9914 120.3851 54.7341 34.0403 174.3620 57 Y 4.7121 9.4152 119.7688 56.2831 41.9061 176.7900 58 G 3.6684 9.0292 110.9509 48.9581 0.0000 173.2928 59 K 5.2265 7.8645 119.8547 54.6331 35.5828 175.1495 60 I 4.4346 8.8176 126.3362 59.5526 41.8942 173.3198 61 V 4.5575 8.2570 128.9991 61.4362 32.9197 174.5354 62 I 4.3631 8.6059 129.4902 59.3442 39.6487 175.5387 63 R 4.4901 8.5744 126.6531 55.6326 30.8073 177.9854 64 G 3.6948 9.5223 112.8005 48.4755 0.0000 175.0812 65 D 4.2758 8.1640 118.3371 56.7119 41.5402 176.3311 66 N 4.7411 8.0615 114.4827 52.8427 38.9845 174.2397 67 V 4.3723 7.6004 119.5951 61.8858 32.6139 175.3238 68 L 4.3536 8.9939 129.6573 57.4647 42.7428 176.0859 69 A 4.6085 7.4384 117.3896 51.2063 22.7775 174.9775 70 I 4.9542 8.2285 119.1475 59.6031 40.7085 175.1315 71 S 4.7187 9.2003 122.0991 55.4760 65.2371 171.0501 72 P 4.7651 0.0000 0.0000 62.5677 31.8034 176.4065 73 T 4.1351 8.3106 114.6315 61.8055 68.3052 174.2630 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 4.31 0.00 1.96 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 2.20 2.33 0.00 4 R 8.38 3.99 0.00 2.01 1.83 0.00 3.15 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 5 P 0.00 4.17 0.00 2.12 2.09 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 6 L 7.85 3.89 0.00 1.62 1.69 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.98 4.32 0.00 2.81 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 7.46 3.57 2.17 0.00 0.00 0.00 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 0.96 0.00 0.00 9 I 7.40 3.66 1.45 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 1.53 0.61 0.30 0.00 0.00 10 H 8.11 4.09 0.00 3.31 3.48 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 7.78 4.08 0.00 1.83 1.96 0.00 3.21 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 12 S 8.10 4.44 0.00 3.93 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 13 L 6.99 4.27 0.00 1.69 1.64 0.99 1.15 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 9.45 4.48 0.00 2.80 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 15 K 7.98 4.70 0.00 1.78 1.68 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.53 7.81 16 D 8.46 4.96 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 8.90 4.97 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 0.87 0.00 0.00 0.94 0.00 0.00 18 L 8.97 4.87 0.00 1.72 1.62 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.09 4.73 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 1.03 0.00 0.00 0.96 0.00 0.00 20 I 8.67 4.42 1.83 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 1.20 0.44 0.86 0.00 0.00 21 L 8.28 4.89 0.00 1.02 1.23 -0.33 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.96 4.57 0.00 1.78 1.87 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.42 7.81 23 K 8.35 4.53 0.00 1.82 2.29 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.24 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.40 1.51 7.81 24 G 8.32 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 7.90 5.24 0.00 3.28 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 26 E 9.08 4.83 0.00 2.06 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 0.00 2.32 2.30 0.00 27 F 9.24 5.53 0.00 2.99 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 28 R 9.12 5.02 0.00 1.91 1.78 0.00 3.21 0.00 0.00 3.20 7.19 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 7.97 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 30 R 7.98 4.87 0.00 1.92 1.82 0.00 3.23 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 31 L 8.93 4.79 0.00 1.82 1.73 1.08 0.80 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 32 I 8.24 4.50 1.87 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 1.29 0.82 0.92 0.00 0.00 33 G 7.59 4.10 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 0.00 0.00 0.00 34 Y 7.59 5.30 0.00 3.01 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 35 D 8.63 4.83 0.00 2.85 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 36 I 8.27 3.76 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.26 0.92 0.00 0.00 37 H 8.19 4.55 0.00 3.32 3.37 0.00 5.78 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.15 3.82 0.00 1.81 1.83 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.35 4.90 0.00 3.00 2.74 0.00 0.00 6.79 7.29 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 40 V 8.80 5.00 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 0.77 0.00 0.00 0.90 0.00 0.00 41 V 8.63 4.83 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 0.95 0.00 0.00 0.90 0.00 0.00 42 L 8.99 5.44 0.00 1.47 1.47 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 43 A 9.04 4.99 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 8.58 4.55 0.00 2.77 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 45 A 8.33 4.91 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 46 E 9.59 5.10 0.00 1.94 1.91 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 2.27 2.29 0.00 47 M 9.53 4.90 0.00 2.25 2.43 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 48 I 9.08 5.07 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.94 0.00 0.00 49 Q 8.79 4.58 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.33 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 50 D 9.90 4.10 0.00 2.81 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 51 G 8.61 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 2.03 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 2.22 2.20 0.00 53 V 8.34 4.16 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 0.81 0.00 0.00 0.99 0.00 0.00 54 V 8.60 4.36 2.04 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 0.76 0.00 0.00 0.92 0.00 0.00 55 K 7.68 4.58 0.00 1.74 1.30 0.00 1.76 0.00 0.00 1.93 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.46 7.81 56 R 7.99 5.10 0.00 1.52 1.73 0.00 3.13 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 57 Y 9.42 4.71 0.00 2.89 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 9.03 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 0.00 0.00 0.00 59 K 7.86 5.23 0.00 1.73 1.63 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.42 7.81 60 I 8.82 4.43 1.50 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.01 0.60 0.00 0.00 61 V 8.26 4.56 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 0.86 0.00 0.00 0.88 0.00 0.00 62 I 8.61 4.36 1.74 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.03 0.91 0.00 0.00 63 R 8.57 4.49 0.00 1.87 1.85 0.00 3.13 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 64 G 9.52 3.69 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 65 D 8.16 4.28 0.00 2.62 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 66 N 8.06 4.74 0.00 2.82 2.81 0.00 0.00 6.43 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.60 4.37 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 0.81 0.00 0.00 0.98 0.00 0.00 68 L 8.99 4.35 0.00 1.59 1.77 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.44 4.61 1.19 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 0.00 0.00 70 I 8.23 4.95 1.84 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 1.22 0.70 0.88 0.00 0.00 71 S 9.20 4.72 0.00 3.80 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 4.77 0.00 2.10 2.04 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 73 T 8.31 4.14 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 1.23 0.00 0.00