NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3812 8.0433 122.7630 55.0938 43.8092 176.0680 2 Q 4.6830 8.5862 125.1730 55.6253 30.8883 173.8898 3 C 5.1401 9.2326 117.1142 56.4573 46.0416 172.7651 4 Y 5.4091 8.7986 119.4473 56.8187 38.1036 174.3709 5 N 5.2881 8.8001 123.3249 52.0846 41.1711 174.2149 6 C 5.2623 8.3154 122.4780 54.7126 44.3654 172.6672 7 P 4.2184 0.0000 0.0000 64.7917 31.5586 175.9872 8 N 5.0534 7.5730 114.7830 51.0332 42.5370 173.2548 9 P 4.3588 0.0000 0.0000 61.7476 29.5308 175.5538 10 T 4.3207 7.6062 120.3243 61.5502 69.1982 173.6379 11 A 4.7265 7.8443 126.0301 51.7846 19.5643 177.0175 12 D 4.4931 6.9497 114.8044 53.9985 40.8434 175.5097 13 C 4.5951 8.3187 119.0952 57.9311 44.3329 172.6480 14 K 4.8666 8.2617 122.2966 56.5522 33.6676 176.3683 15 T 4.4526 8.2471 115.2662 63.0775 70.1883 173.9135 16 A 4.6544 8.5019 126.2331 50.2113 21.3315 175.2965 17 V 4.4487 8.3726 121.1632 61.4931 35.7393 174.5684 18 N 4.3361 8.6964 122.7558 54.2779 38.4596 175.3789 19 C 4.3056 9.1701 124.3290 55.8929 39.6832 177.8233 20 S 3.5065 9.6716 123.7423 59.5754 63.0243 171.0668 21 S 3.3995 8.5951 111.2861 59.8669 58.2326 170.2210 22 D 4.3319 7.6286 112.1053 55.5119 38.2239 174.5792 23 F 5.3568 8.0129 116.4078 56.2393 41.7066 174.6985 24 D 5.0443 9.0735 121.9747 53.5116 43.7992 175.3171 25 A 5.4997 8.3334 120.4741 49.0755 21.9838 175.1059 26 C 4.7337 9.0615 122.2102 57.4078 42.9169 172.0018 27 L 4.9873 8.6299 124.8266 53.4215 44.7865 175.0115 28 I 4.7550 8.4844 126.4831 59.3964 39.2732 172.2872 29 T 4.4555 8.4918 122.6565 61.9221 69.1599 173.6780 30 K 4.5715 8.6643 129.2218 54.0753 33.6080 176.1694 31 A 4.5861 8.0925 135.0000 52.3865 20.5562 177.5641 32 G 4.1826 8.5934 112.5258 45.4810 0.0000 175.6562 33 L 4.2913 9.0411 123.0024 57.0077 41.9274 177.4223 34 Q 4.2022 7.8600 117.8305 55.6505 30.2242 175.3645 35 V 4.5924 8.1278 121.3388 61.3070 34.9500 173.8600 36 Y 4.5003 8.8160 123.4586 56.5133 39.5251 174.7253 37 N 4.9094 8.6791 123.4885 52.0268 39.2147 174.3680 38 K 4.9212 8.6126 122.1117 54.6342 37.2684 175.1655 39 C 4.6668 8.5397 122.4088 56.5899 38.8219 172.2588 40 W 4.9466 8.5620 132.1841 56.0010 34.2494 174.2747 41 K 4.7433 8.4410 123.3109 55.6724 32.7055 177.8974 42 F 4.0881 8.7564 122.2389 60.3971 39.7325 176.3719 43 E 4.3016 8.4496 120.4906 58.8415 29.7065 176.4691 44 H 5.7616 7.7990 113.4243 55.3562 28.8270 175.4597 45 C 4.3762 7.7341 119.7101 55.2497 37.0035 172.0752 46 N 5.0918 6.9743 119.8399 52.4107 42.9883 174.3079 47 F 4.0204 8.3544 120.8782 55.4043 38.2244 174.3496 48 N 4.8187 6.8720 131.5736 53.6602 40.7609 177.2518 49 D 4.5257 7.2914 117.6543 56.0655 40.9671 178.2387 50 V 3.6452 6.6281 118.6447 64.8188 32.1860 177.7527 51 T 3.8395 7.2558 107.8518 63.8124 68.5275 175.6279 52 T 4.1486 7.2783 117.3907 65.4151 69.1994 176.9352 53 R 3.9658 7.4841 117.3784 59.3287 30.1720 177.8376 54 L 4.3079 7.8889 114.2527 54.4801 41.9202 176.9570 55 R 3.8087 7.6693 116.7624 57.3203 27.8247 175.4227 56 E 4.6245 7.7395 119.5737 54.9925 31.5087 172.9863 57 N 5.0133 7.7633 115.6152 54.9106 45.5206 174.0183 58 E 4.1857 8.1306 118.4563 55.5132 30.1544 176.7282 59 L 4.4816 7.6004 122.9491 56.6171 42.7453 173.2864 60 T 4.5437 7.4700 109.0613 61.6913 69.0812 174.5186 61 Y 4.2666 7.6763 119.5780 57.1012 39.4762 176.8247 62 Y 4.1067 8.4296 126.3622 55.7642 40.4153 173.7409 63 C 5.7233 8.1701 124.5008 55.8363 43.1917 171.9904 64 C 5.0549 8.5213 115.5665 53.8828 45.6968 174.1189 65 K 4.8945 8.5713 115.9751 56.4092 33.0357 176.3314 66 K 4.6244 8.0963 117.3398 53.9906 34.8169 175.7077 67 D 4.4516 8.5698 119.9459 54.2280 39.6515 176.5398 68 L 3.7122 8.2622 126.6472 55.9853 39.1403 172.6687 69 C 5.0470 8.3801 109.4303 55.7722 42.8489 174.2034 70 N 4.5636 8.2892 119.5997 52.0137 37.5451 172.1897 71 F 4.3496 6.2526 115.7325 54.4662 41.6639 176.2816 72 N 4.5526 8.2721 118.7346 51.1356 37.1922 173.6705 73 E 5.1048 6.8711 112.6671 56.5056 31.9208 176.3836 74 Q 4.0265 7.6120 117.0383 57.2388 30.4503 176.4308 75 L 3.8691 7.2873 117.6000 57.3365 42.0775 177.9657 76 E 4.1242 7.7150 116.5599 56.7251 30.4143 176.2575 77 N 4.6080 8.6459 118.1143 53.9272 38.4162 174.3273 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 L 8.04 4.38 0.00 1.81 1.70 1.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 2 Q 8.59 4.68 0.00 2.16 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 3 C 9.23 5.14 0.00 2.88 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 4 Y 8.80 5.41 0.00 2.90 3.01 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 5 N 8.80 5.29 0.00 2.70 2.69 0.00 0.00 7.03 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 6 C 8.32 5.26 0.00 3.19 2.92 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 7 P 0.00 4.22 0.00 2.19 2.19 0.00 3.75 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 1.99 1.99 0.00 8 N 7.57 5.05 0.00 2.66 2.66 0.00 0.00 6.97 8.02 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 9 P 0.00 4.36 0.00 1.31 1.22 0.00 3.29 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.83 0.00 10 T 7.61 4.32 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 1.25 0.00 0.00 11 A 7.84 4.73 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 12 D 6.95 4.49 0.00 2.85 2.66 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 13 C 8.32 4.60 0.00 3.01 3.09 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 0.00 0.00 0.00 0.00 14 K 8.26 4.87 0.00 1.77 1.79 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.52 7.81 15 T 8.25 4.45 4.44 0.00 0.00 0.00 0.00 0.00 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 16 A 8.50 4.65 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.45 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 0.94 0.00 0.00 0.93 0.00 0.00 18 N 8.70 4.34 0.00 2.67 2.79 0.00 0.00 6.99 7.66 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 19 C 9.17 4.31 0.00 3.28 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 20 S 9.67 3.51 0.00 4.04 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.60 3.40 0.00 3.42 3.72 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 22 D 7.63 4.33 0.00 2.41 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.01 5.36 0.00 3.20 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 24 D 9.07 5.04 0.00 2.60 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 25 A 8.33 5.50 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 26 C 9.06 4.73 0.00 3.14 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 27 L 8.63 4.99 0.00 1.89 1.87 0.49 1.05 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 28 I 8.48 4.75 1.95 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.31 0.93 0.00 0.00 29 T 8.49 4.46 4.20 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 1.06 0.00 0.00 30 K 8.66 4.57 0.00 1.79 1.67 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.44 7.81 31 A 8.09 4.59 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.59 4.18 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 0.00 0.00 0.00 33 L 9.04 4.29 0.00 1.72 1.79 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.86 4.20 0.00 1.96 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 35 V 8.13 4.59 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 1.05 0.00 0.00 0.93 0.00 0.00 36 Y 8.82 4.50 0.00 3.11 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.68 4.91 0.00 2.78 3.08 0.00 0.00 7.01 7.60 0.00 0.00 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 K 8.61 4.92 0.00 1.86 1.76 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.51 7.81 39 C 8.54 4.67 0.00 2.48 1.57 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.56 4.95 0.00 3.56 2.82 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 0.00 0.00 0.00 41 K 8.44 4.74 0.00 1.89 1.77 0.00 1.55 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.20 7.81 42 F 8.76 4.09 0.00 3.14 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.45 4.30 0.00 2.10 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 0.00 2.41 2.46 0.00 44 H 7.80 5.76 0.00 3.44 3.72 0.00 5.68 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 7.73 4.38 0.00 2.78 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 46 N 6.97 5.09 0.00 2.61 2.69 0.00 0.00 7.26 8.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.35 4.02 0.00 3.10 2.90 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 0.00 0.00 0.00 48 N 6.87 4.82 0.00 2.88 2.80 0.00 0.00 7.00 8.08 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 49 D 7.29 4.53 0.00 2.63 2.97 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 0.00 0.00 0.00 50 V 6.63 3.65 1.07 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 0.09 0.00 0.00 -0.60 0.00 0.00 51 T 7.26 3.84 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 1.13 0.00 0.00 52 T 7.28 4.15 4.35 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 1.21 0.00 0.00 53 R 7.48 3.97 0.00 2.53 2.33 0.00 3.33 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.90 0.00 54 L 7.89 4.31 0.00 1.48 1.59 0.57 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.67 3.81 0.00 1.99 2.04 0.00 3.14 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 56 E 7.74 4.62 0.00 1.69 1.66 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 2.13 2.15 0.00 57 N 7.76 5.01 0.00 2.67 2.67 0.00 0.00 6.93 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 58 E 8.13 4.19 0.00 2.03 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 2.35 2.32 0.00 59 L 7.60 4.48 0.00 1.72 1.68 0.71 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.47 4.54 4.20 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 1.17 0.00 0.00 61 Y 7.68 4.27 0.00 2.66 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 62 Y 8.43 4.11 0.00 2.86 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 63 C 8.17 5.72 0.00 2.56 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.52 5.05 0.00 3.11 3.50 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 65 K 8.57 4.89 0.00 1.78 1.85 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.75 1.62 7.81 66 K 8.10 4.62 0.00 1.85 1.81 0.00 1.84 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.51 7.81 67 D 8.57 4.45 0.00 2.80 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 68 L 8.26 3.71 0.00 1.96 2.04 0.90 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 69 C 8.38 5.05 0.00 3.25 3.36 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 70 N 8.29 4.56 0.00 2.78 3.04 0.00 0.00 7.10 7.17 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 71 F 6.25 4.35 0.00 3.06 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 72 N 8.27 4.55 0.00 2.63 2.79 0.00 0.00 6.67 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 6.87 5.10 0.00 2.23 2.21 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 2.09 2.18 0.00 74 Q 7.61 4.03 0.00 0.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.90 0.00 0.00 0.00 0.00 0.00 1.28 1.61 0.00 75 L 7.29 3.87 0.00 1.53 1.61 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 76 E 7.72 4.12 0.00 1.90 1.84 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 2.27 2.27 0.00 77 N 8.65 4.61 0.00 2.88 2.85 0.00 0.00 6.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00