NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4381 8.1627 118.3244 55.3556 33.7238 173.1205 2 Q 4.8423 8.2122 120.0203 52.5039 31.2906 172.6847 3 I 4.5908 8.9752 120.1590 58.9043 42.3568 173.4308 4 F 5.4215 8.6457 120.1719 55.6755 42.5176 174.8560 5 V 4.7102 9.4135 123.3696 61.1623 33.7730 173.8055 6 K 4.8513 8.7944 130.9060 55.2314 33.7071 176.8411 7 T 4.8262 8.5915 118.1964 60.2481 70.3436 174.2992 8 L 4.4533 8.3142 119.5890 55.4779 42.0383 177.4436 9 T 4.5360 7.8035 108.9971 61.5857 69.3603 174.1887 10 G 4.2694 8.7671 114.0838 46.7604 0.0000 174.9265 11 K 4.2490 7.8355 122.2329 55.9543 33.4136 175.6015 12 T 5.0686 8.5120 123.5101 61.9073 70.9068 173.4382 13 I 4.5019 9.0880 127.4093 59.9797 39.8448 174.7704 14 T 4.9845 8.5933 122.9705 62.2205 69.8671 173.8367 15 L 4.7152 8.6765 126.8797 52.8721 44.9854 175.4127 16 E 4.7765 8.6103 122.7136 54.9279 30.6778 175.1015 17 V 4.6473 8.9456 119.6926 59.8178 36.4098 174.5311 18 E 4.7670 9.0668 120.0296 53.9748 32.7213 176.2445 19 P 4.2243 0.0000 0.0000 65.4292 31.6076 178.2838 20 S 4.4917 7.8848 110.1597 58.6256 63.7112 174.0317 21 D 4.4693 8.0064 123.4446 54.5500 41.3573 176.0732 22 T 4.6810 8.2346 113.8789 61.2218 71.3990 175.7501 23 I 3.6998 8.5852 124.0269 64.6940 37.1922 178.2816 24 E 3.9337 8.2267 119.9884 59.5837 29.3999 178.7336 25 N 4.3473 8.2656 116.4594 56.3173 38.4964 177.6374 26 V 3.5662 7.8527 119.6873 65.9303 31.6176 178.3315 27 K 4.2157 8.5311 119.4176 58.7418 31.7395 179.2669 28 A 4.0319 7.9209 121.1540 54.7980 18.2001 179.7296 29 K 3.8668 8.3018 117.3450 59.8979 32.1971 179.6208 30 I 3.6898 7.9742 119.9674 64.1152 36.8276 178.4575 31 Q 4.1320 7.8977 121.9163 58.7937 28.7614 177.5228 32 D 4.3787 8.0119 118.8357 57.5830 40.9985 178.6639 33 K 4.1939 8.1233 118.2823 58.0380 32.4865 176.9916 34 E 4.4743 8.1338 115.3364 54.9185 31.3246 176.9793 35 G 3.8626 8.4595 106.7272 45.6254 0.0000 173.6226 36 I 4.0040 7.3628 121.6344 59.7393 37.5943 173.8666 37 P 4.4143 0.0000 0.0000 61.6424 32.1614 175.5567 38 P 4.2340 0.0000 0.0000 66.0089 31.3768 178.4444 39 D 4.3282 8.1666 116.0223 57.0171 40.9805 177.1822 40 Q 4.6838 8.2062 116.2477 54.9009 28.7536 174.2722 41 Q 4.9229 8.2261 119.2821 54.0361 31.2813 174.4149 42 R 4.8546 9.1107 124.9899 54.4877 32.7654 174.1055 43 L 5.2269 8.5171 125.9532 53.0865 44.5796 175.3603 44 I 5.0641 8.8717 124.0340 59.5232 41.0277 174.4222 45 F 5.0499 8.9066 127.4665 57.1739 43.0252 174.2677 46 A 3.5420 9.0744 128.6034 53.0602 15.8919 177.5393 47 G 3.9323 8.5158 106.5066 46.0913 0.0000 173.8657 48 K 4.5563 7.8258 119.3511 53.9848 34.9589 175.4824 49 Q 4.5613 8.7009 123.1963 56.1231 29.0932 176.0307 50 L 4.0954 8.6857 125.3517 54.2723 42.9221 176.3267 51 E 4.5148 9.6369 123.1368 55.2021 31.0131 177.1217 52 D 4.4007 9.1290 123.8831 57.6503 41.0569 178.9070 53 G 3.7619 8.0320 105.0504 46.8051 0.0000 173.5082 54 R 4.4265 7.7712 119.4470 55.0510 31.5761 175.3251 55 T 5.0334 8.1860 109.1600 59.8511 71.1776 175.6401 56 L 4.0810 8.5656 122.9156 58.2831 41.5176 179.9710 57 S 4.0807 8.3066 112.9936 61.5828 62.1113 175.9640 58 D 4.3292 7.9421 120.3528 56.8601 40.5573 177.4040 59 Y 4.6014 7.2424 113.2839 56.7128 38.7884 174.9093 60 N 4.2306 7.9371 116.3283 54.3539 36.4842 174.3795 61 I 3.9214 7.6588 118.5968 60.0621 38.4917 175.7245 62 Q 4.6686 8.3679 123.5936 52.8303 32.2644 174.6628 63 K 4.0617 8.4172 117.4172 58.8756 32.4049 176.8935 64 E 3.8042 8.7424 118.3956 56.9255 28.4754 175.1950 65 S 4.4956 7.8218 115.7803 59.0494 64.2775 173.3327 66 T 5.2115 8.7216 119.1200 62.0993 70.5046 174.0198 67 L 4.9153 9.0407 127.0687 53.9583 44.5593 175.1185 68 H 5.3822 9.2539 117.5803 54.0046 32.0377 173.0891 69 L 5.0150 9.1037 125.3981 53.4712 44.0450 174.9874 70 V 4.2391 8.7317 127.8194 61.7449 33.1343 174.5402 71 L 5.0792 8.4885 127.4540 53.5414 43.4522 176.3936 72 R 4.5097 8.7586 122.8312 54.9303 32.1506 175.0018 73 L 4.3262 8.0311 123.5524 54.2604 44.8736 174.1897 74 R 4.7934 8.4456 124.1834 54.7094 33.9559 175.6834 75 G 3.7382 8.3245 106.9391 46.3074 0.0000 173.1487 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 4.44 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 2 Q 8.21 4.84 0.00 2.10 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.70 0.00 0.00 0.00 0.00 0.00 1.79 2.35 0.00 3 I 8.98 4.59 1.80 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 1.07 0.44 0.73 0.00 0.00 4 F 8.65 5.42 0.00 3.02 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 5 V 9.41 4.71 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 0.96 0.00 0.00 0.93 0.00 0.00 6 K 8.79 4.85 0.00 1.88 1.64 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.38 7.81 7 T 8.59 4.83 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 1.26 0.00 0.00 8 L 8.31 4.45 0.00 1.64 1.75 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.80 4.54 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 1.22 0.00 0.00 10 G 8.77 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.84 4.25 0.00 1.89 1.69 0.00 1.48 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.48 7.81 12 T 8.51 5.07 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 1.21 0.00 0.00 13 I 9.09 4.50 1.90 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 1.25 0.93 1.00 0.00 0.00 14 T 8.59 4.98 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 15 L 8.68 4.72 0.00 1.50 1.49 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.61 4.78 0.00 1.90 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 0.00 2.17 2.33 0.00 17 V 8.95 4.65 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 0.68 0.00 0.00 0.89 0.00 0.00 18 E 9.07 4.77 0.00 1.82 1.77 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 2.18 2.37 0.00 19 P 0.00 4.22 0.00 2.15 2.07 0.00 3.56 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 2.09 2.04 0.00 20 S 7.88 4.49 0.00 3.96 3.96 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 21 D 8.01 4.47 0.00 2.86 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.23 4.68 4.45 0.00 0.00 0.00 0.00 0.00 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 23 I 8.59 3.70 2.10 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 1.77 1.23 0.92 0.00 0.00 24 E 8.23 3.93 0.00 2.21 1.96 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 2.31 2.37 0.00 25 N 8.27 4.35 0.00 2.93 2.84 0.00 0.00 6.73 7.43 0.00 0.00 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 V 7.85 3.57 2.20 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 1.08 0.00 0.00 0.90 0.00 0.00 27 K 8.53 4.22 0.00 2.01 1.84 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.46 7.81 28 A 7.92 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.30 3.87 0.00 1.99 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.65 7.81 30 I 7.97 3.69 2.13 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 1.41 0.90 0.91 0.00 0.00 31 Q 7.90 4.13 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 32 D 8.01 4.38 0.00 2.85 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 33 K 8.12 4.19 0.00 1.78 1.87 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.44 1.47 7.81 34 E 8.13 4.47 0.00 2.12 1.93 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 2.23 2.36 0.00 35 G 8.46 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 36 I 7.36 4.00 1.87 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 1.42 0.67 0.91 0.00 0.00 37 P 0.00 4.41 0.00 2.18 1.97 0.00 3.62 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.10 0.00 38 P 0.00 4.23 0.00 2.17 2.12 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 39 D 8.17 4.33 0.00 2.64 2.76 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 0.00 0.00 0.00 40 Q 8.21 4.68 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.27 0.00 41 Q 8.23 4.92 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 42 R 9.11 4.85 0.00 1.83 1.91 0.00 3.06 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 43 L 8.52 5.23 0.00 1.59 1.50 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.87 5.06 1.92 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 1.11 0.77 0.91 0.00 0.00 45 F 8.91 5.05 0.00 2.99 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 46 A 9.07 3.54 0.68 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 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.52 3.93 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 0.00 0.00 0.00 48 K 7.83 4.56 0.00 1.80 1.74 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.57 7.81 49 Q 8.70 4.56 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 50 L 8.69 4.10 0.00 1.38 1.27 0.73 -0.09 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 51 E 9.64 4.51 0.00 2.02 1.93 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 2.34 2.38 0.00 52 D 9.13 4.40 0.00 2.80 2.76 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 0.00 0.00 0.00 53 G 8.03 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.77 4.43 0.00 1.90 1.73 0.00 3.05 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 55 T 8.19 5.03 4.46 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 1.24 0.00 0.00 56 L 8.57 4.08 0.00 1.84 1.72 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.31 4.08 0.00 3.98 3.83 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 58 D 7.94 4.33 0.00 2.62 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.24 4.60 0.00 3.12 3.03 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 60 N 7.94 4.23 0.00 3.07 3.02 0.00 0.00 6.89 7.49 0.00 0.00 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 I 7.66 3.92 1.82 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 -0.08 0.59 0.00 0.00 62 Q 8.37 4.67 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 63 K 8.42 4.06 0.00 1.81 1.81 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.50 7.81 64 E 8.74 3.80 0.00 2.23 2.32 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 2.26 2.47 0.00 65 S 7.82 4.50 0.00 3.73 3.64 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 0.00 0.00 0.00 0.00 66 T 8.72 5.21 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 67 L 9.04 4.92 0.00 1.61 1.59 0.72 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.25 5.38 0.00 3.10 3.20 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.10 5.01 0.00 1.71 1.54 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.73 4.24 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 0.96 0.00 0.00 0.94 0.00 0.00 71 L 8.49 5.08 0.00 1.57 1.57 0.93 0.95 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 72 R 8.76 4.51 0.00 1.68 1.85 0.00 3.16 0.00 0.00 3.10 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 73 L 8.03 4.33 0.00 1.53 1.50 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.45 4.79 0.00 1.79 1.78 0.00 3.29 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 75 G 8.32 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