NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3013 8.3044 120.3255 55.1576 33.3716 174.2549 2 Q 4.1661 8.4466 124.8290 54.6095 29.9547 172.7518 3 Y 4.6558 9.4169 124.2376 56.0904 40.9662 174.5437 4 K 4.6050 8.7143 123.8915 54.6184 33.8676 176.0807 5 V 4.2650 8.0925 122.8079 61.2344 34.2064 174.0110 6 I 4.0509 8.2957 128.3386 59.9959 37.5999 175.1354 7 L 4.4408 8.0271 125.5014 53.0219 43.4129 176.3871 8 N 4.4858 8.4260 123.0977 52.6110 40.1753 175.0356 9 G 4.1359 8.3049 117.6522 45.3230 0.0000 171.3871 10 K 4.2146 7.7074 118.9196 56.7051 32.8771 178.3208 11 T 4.5849 7.9739 114.2741 59.8363 68.2252 173.4462 12 L 4.0780 7.6903 128.6414 57.0721 42.6815 176.8960 13 K 4.5032 8.1725 118.2767 53.6692 35.1673 176.4422 14 G 3.8548 8.1548 112.4949 45.9407 0.0000 170.9123 15 E 4.1974 8.4180 119.5911 56.9468 29.9945 176.2130 16 T 4.4716 8.0166 112.1331 62.3884 67.6274 174.5539 17 T 4.2703 7.6674 110.5198 60.4567 70.2724 173.3506 18 T 4.3445 7.9783 111.2698 61.0853 70.8230 172.5010 19 E 4.2832 8.4513 114.8087 58.1139 31.6112 176.7963 20 A 4.0147 8.3888 124.9530 52.3349 17.7464 179.3082 21 V 3.9762 7.3741 107.5983 60.7366 30.5609 176.0667 22 D 4.7911 7.4791 119.7114 52.4619 44.5353 175.3854 23 A 3.8740 8.5299 127.4867 55.6243 18.4053 180.1702 24 A 3.9210 7.8990 118.3569 55.3924 18.3852 179.8423 25 T 3.8519 7.7124 114.0990 66.5794 68.5199 176.4979 26 F 4.1816 8.2915 122.5171 61.3305 39.3953 176.8343 27 E 3.9447 7.6307 117.7187 59.3503 29.2694 179.4455 28 K 3.9726 8.0735 119.2319 59.5910 32.3654 179.0449 29 V 3.5866 8.0942 118.8817 66.0570 31.5030 178.1982 30 V 3.7936 8.2883 118.4258 65.7782 31.3352 178.0098 31 K 4.0194 8.5907 119.7617 59.5746 31.6738 178.6764 32 Q 3.9952 8.6867 120.2875 59.0625 28.7580 177.9339 33 F 4.0733 8.3324 121.0205 61.5018 39.7682 176.8701 34 F 3.7900 7.9998 117.1478 60.0074 38.7036 177.4406 35 N 4.6784 8.5452 118.0962 55.7891 38.0942 176.7799 36 D 4.4585 7.4781 118.9865 56.1398 40.9413 177.2720 37 N 4.8366 8.3974 115.7995 51.9055 38.8959 174.7534 38 G 4.0251 8.4090 109.8173 46.6681 0.0000 173.9908 39 V 4.3474 7.4758 116.9490 60.9667 34.6214 173.8767 40 D 4.6420 8.4478 124.4030 52.8134 45.4221 173.5446 41 G 3.9465 8.1504 104.3515 44.7253 0.0000 173.1761 42 E 4.6138 8.1471 121.7170 54.3728 33.6461 174.8347 43 W 4.1751 8.8031 121.8301 56.8483 29.2058 175.9454 44 T 4.6890 8.2016 113.8748 59.5942 70.4252 174.0025 45 Y 4.2120 8.4509 121.8179 57.9279 38.6126 175.7457 46 D 4.6942 8.5994 123.3237 53.8098 41.7808 175.9639 47 D 4.4393 8.5082 121.0583 53.9626 41.3360 176.6587 48 A 4.1427 8.5992 126.6816 53.0975 18.9218 176.7916 49 T 4.7793 8.1815 116.7186 61.6712 72.6574 173.5338 50 K 4.7009 8.5500 122.7693 54.8699 34.8478 175.9099 51 T 4.6326 8.2377 118.6614 61.4958 71.5493 173.3584 52 F 4.2981 8.9198 128.4061 57.9358 39.9283 174.4470 53 T 4.3242 7.5724 125.0229 61.6334 69.5601 175.0396 54 V 3.8490 8.0720 126.0824 63.5664 31.7054 173.8869 55 T 4.5519 7.5719 118.6760 61.2210 76.2270 173.9217 56 E 4.1344 8.0669 126.6787 57.1111 29.4356 174.6073 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 4.30 0.00 1.73 2.11 0.00 0.00 0.00 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 2 Q 8.45 4.17 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 3 Y 9.42 4.66 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 4 K 8.71 4.60 0.00 1.77 1.76 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 5 V 8.09 4.27 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.05 0.00 0.00 6 I 8.30 4.05 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.66 0.86 0.00 0.00 7 L 8.03 4.44 0.00 1.24 1.42 0.40 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.43 4.49 0.00 2.57 2.65 0.00 0.00 7.18 7.96 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 9 G 8.30 4.14 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 0.00 0.00 0.00 10 K 7.71 4.21 0.00 1.74 1.77 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.35 7.81 11 T 7.97 4.58 4.23 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 0.00 0.00 1.20 0.00 0.00 12 L 7.69 4.08 0.00 1.65 1.69 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.17 4.50 0.00 1.64 1.62 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.40 7.81 14 G 8.15 3.85 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 0.00 0.00 0.00 15 E 8.42 4.20 0.00 1.97 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 2.31 2.30 0.00 16 T 8.02 4.47 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 17 T 7.67 4.27 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 18 T 7.98 4.34 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 19 E 8.45 4.28 0.00 2.10 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 0.00 2.23 2.26 0.00 20 A 8.39 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.37 3.98 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 0.77 0.00 0.00 0.94 0.00 0.00 22 D 7.48 4.79 0.00 2.69 2.50 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 23 A 8.53 3.87 1.25 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 0.00 0.00 0.00 24 A 7.90 3.92 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.71 3.85 4.56 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 0.00 0.00 0.00 1.26 0.00 0.00 26 F 8.29 4.18 0.00 2.97 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 27 E 7.63 3.94 0.00 2.03 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 1.47 1.75 0.00 28 K 8.07 3.97 0.00 1.93 1.82 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 29 V 8.09 3.59 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 0.86 0.00 0.00 0.95 0.00 0.00 30 V 8.29 3.79 2.25 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 1.18 0.00 0.00 -0.52 0.00 0.00 31 K 8.59 4.02 0.00 2.13 2.03 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.45 7.81 32 Q 8.69 4.00 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 33 F 8.33 4.07 0.00 2.73 3.12 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 34 F 8.00 3.79 0.00 3.16 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 35 N 8.55 4.68 0.00 2.90 2.87 0.00 0.00 6.82 7.79 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 36 D 7.48 4.46 0.00 2.51 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 37 N 8.40 4.84 0.00 2.74 2.81 0.00 0.00 6.96 7.19 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 38 G 8.41 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 39 V 7.48 4.35 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 0.92 0.00 0.00 0.93 0.00 0.00 40 D 8.45 4.64 0.00 2.60 2.49 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 0.00 0.00 0.00 0.00 41 G 8.15 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 0.00 0.00 0.00 42 E 8.15 4.61 0.00 1.91 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 2.23 2.32 0.00 43 W 8.80 4.18 0.00 3.21 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 44 T 8.20 4.69 4.30 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 0.00 0.00 0.00 1.26 0.00 0.00 45 Y 8.45 4.21 0.00 3.06 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 46 D 8.60 4.69 0.00 2.74 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 47 D 8.51 4.44 0.00 2.70 2.64 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 48 A 8.60 4.14 1.25 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 0.00 0.00 0.00 49 T 8.18 4.78 4.26 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 1.23 0.00 0.00 50 K 8.55 4.70 0.00 1.73 1.72 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.43 7.81 51 T 8.24 4.63 4.26 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 1.24 0.00 0.00 52 F 8.92 4.30 0.00 2.96 2.99 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 0.00 0.00 0.00 53 T 7.57 4.32 4.02 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 0.00 0.00 1.12 0.00 0.00 54 V 8.07 3.85 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 0.87 0.00 0.00 1.04 0.00 0.00 55 T 7.57 4.55 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 1.18 0.00 0.00 56 E 8.07 4.13 0.00 2.14 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 2.24 2.32 0.00