NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5565 0.0000 0.0000 62.3990 33.5823 174.5594 2 F 5.2762 8.7496 123.7305 56.1407 42.3285 172.4687 3 I 4.2351 8.3842 126.4948 59.2724 41.1565 173.1504 4 N 5.0371 8.3730 125.3177 51.6450 41.1010 173.4196 5 I 4.5378 8.9659 126.9552 59.4073 40.3171 174.4676 6 K 5.2115 8.8148 126.5870 54.5180 34.4005 175.3799 7 L 4.8378 8.9169 124.2478 54.2867 44.9099 174.9890 8 V 4.8763 7.8338 118.7636 59.6257 32.5853 173.5431 9 P 4.6004 0.0000 0.0000 64.1643 32.2616 176.4080 10 E 4.6138 9.7698 116.8924 56.3866 33.9906 175.5542 11 N 4.1797 9.9291 120.1092 53.6250 36.3035 175.5415 12 G 3.9219 8.5808 104.2863 45.3806 0.0000 174.0697 13 G 4.1795 8.2171 109.1354 42.6452 0.0000 171.3042 14 P 4.9136 0.0000 0.0000 62.2522 32.4451 176.9583 15 T 4.3409 8.8887 112.5334 60.9368 71.2860 175.6396 16 N 4.3295 8.8190 120.8805 57.1428 38.5003 178.1403 17 E 4.0379 8.0739 119.3805 61.1489 30.0110 182.8800 18 Q 4.2596 7.9828 118.8701 58.5913 28.6386 178.9399 19 K 4.0225 8.3242 119.9854 59.4843 31.9915 179.4118 20 Q 3.9897 7.8242 118.5587 59.0176 28.5204 178.7809 21 Q 4.0668 7.9714 118.8485 58.6006 28.6421 178.7761 22 L 3.9840 7.7994 120.2959 57.8426 41.8666 179.4569 23 I 3.8112 8.1088 122.4261 64.8348 36.9166 179.1376 24 E 4.0658 8.6796 119.7394 61.0385 29.7010 181.4381 25 G 3.8065 8.2282 107.6397 47.5220 0.0000 175.8158 26 V 3.5719 8.1394 121.3184 65.9668 31.0597 178.3547 27 S 4.1678 7.9396 114.4217 61.6947 62.6219 176.4753 28 D 4.4359 8.3881 121.7988 56.9147 40.5189 178.5471 29 L 3.9776 7.9088 121.1984 58.3888 42.2307 178.9251 30 M 4.0942 7.9597 118.2847 58.2541 31.8343 178.9203 31 V 3.6574 7.5151 117.5864 65.6707 31.5397 178.0357 32 K 4.1063 8.2582 120.8585 59.2204 32.0484 179.2050 33 V 4.2000 7.7097 121.2245 64.6643 32.4460 181.6329 34 L 4.8480 7.4014 114.8553 52.6021 42.8486 177.5809 35 N 4.3165 7.8930 114.7415 55.2786 36.4884 174.2482 36 K 4.1954 7.6019 115.4212 55.3615 33.7453 177.1541 37 N 4.3857 8.4843 118.6930 53.4382 38.7249 175.2152 38 K 3.8475 8.8581 128.2994 59.4682 32.4411 178.7033 39 A 4.0765 7.8095 121.0009 54.5724 18.3264 178.0395 40 S 4.5222 7.8538 108.6418 58.4511 63.5271 174.1201 41 I 4.1921 7.4975 123.5457 61.4563 37.3823 175.3911 42 V 4.4667 8.7623 127.8091 61.1049 33.7365 174.5667 43 V 4.8001 8.3927 126.5627 61.1452 34.5913 174.3821 44 I 4.6325 8.6654 127.9378 59.5749 40.7217 174.2099 45 I 4.8589 8.5181 127.6429 59.7804 39.0323 174.5602 46 D 4.9616 9.4396 127.9098 52.5834 43.2034 175.2053 47 E 5.0158 8.8248 123.2173 54.9965 30.9941 175.4087 48 V 4.4034 8.9972 125.4911 60.7002 33.8962 174.8380 49 D 4.5817 8.7821 127.1436 54.2322 41.9119 177.2868 50 S 4.1396 8.7039 119.6025 61.0816 63.1216 175.3739 51 N 4.6606 9.5294 117.9368 54.1395 38.5701 175.1791 52 N 4.8711 8.3014 115.0133 52.7760 39.5487 173.6022 53 Y 4.6075 8.0053 120.5205 55.5186 41.1189 174.3779 54 G 4.5056 8.4577 115.4431 43.8212 0.0000 172.3951 55 L 4.3493 9.0754 123.5784 54.8138 44.6891 176.4319 56 G 3.8349 9.3356 113.9299 46.1011 0.0000 173.9459 57 G 3.9502 8.7972 109.2672 45.3749 0.0000 174.1528 58 E 4.8422 7.7221 115.2900 53.2674 33.6455 181.0430 59 S 4.9714 8.3732 115.1874 58.3343 65.5193 175.7352 60 V 3.6460 8.5805 122.5805 66.2443 31.0013 177.9216 61 H 4.0990 8.0308 117.5546 59.2047 29.8662 176.6269 62 H 4.6320 7.8045 117.1078 58.6521 29.0217 177.4910 63 L 4.1641 7.8208 120.4346 57.9873 41.2407 179.3900 64 R 4.1594 7.7644 115.6468 57.8232 30.1131 177.9217 65 Q 4.3083 8.3438 120.1145 57.5485 29.1355 176.4151 66 K 4.1951 7.6376 125.6889 54.6764 31.8214 181.9597 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 P 0.00 4.56 0.00 2.11 2.06 0.00 3.53 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 2.02 2.11 0.00 2 F 8.75 5.28 0.00 3.02 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 3 I 8.38 4.24 1.67 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 1.03 0.45 0.77 0.00 0.00 4 N 8.37 5.04 0.00 2.48 2.60 0.00 0.00 6.98 7.94 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 5 I 8.97 4.54 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.68 0.90 0.00 0.00 6 K 8.81 5.21 0.00 1.69 1.81 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.42 7.81 7 L 8.92 4.84 0.00 1.67 1.71 0.91 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.83 4.88 1.87 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 1.13 0.00 0.00 0.53 0.00 0.00 9 P 0.00 4.60 0.00 1.96 1.98 0.00 3.82 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 10 E 9.77 4.61 0.00 1.79 1.75 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 2.15 2.14 0.00 11 N 9.93 4.18 0.00 2.79 2.88 0.00 0.00 7.12 7.65 0.00 0.00 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 G 8.58 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 13 G 8.22 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 14 P 0.00 4.91 0.00 2.18 2.04 0.00 3.75 0.00 0.00 3.69 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 15 T 8.89 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 1.31 0.00 0.00 16 N 8.82 4.33 0.00 2.75 2.93 0.00 0.00 6.93 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 17 E 8.07 4.04 0.00 1.97 1.95 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 2.31 1.96 0.00 18 Q 7.98 4.26 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 19 K 8.32 4.02 0.00 1.95 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.68 7.81 20 Q 7.82 3.99 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 21 Q 7.97 4.07 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 22 L 7.80 3.98 0.00 1.87 1.68 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.11 3.81 1.99 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 1.37 1.33 0.90 0.00 0.00 24 E 8.68 4.07 0.00 1.94 1.95 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 2.24 2.19 0.00 25 G 8.23 3.81 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 0.00 0.00 0.00 26 V 8.14 3.57 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.92 0.00 0.00 27 S 7.94 4.17 0.00 4.09 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.39 4.44 0.00 2.81 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 29 L 7.91 3.98 0.00 1.87 1.82 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 30 M 7.96 4.09 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.88 0.00 31 V 7.52 3.66 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 0.99 0.00 0.00 1.06 0.00 0.00 32 K 8.26 4.11 0.00 1.87 1.86 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.45 7.81 33 V 7.71 4.20 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 0.82 0.00 0.00 0.93 0.00 0.00 34 L 7.40 4.85 0.00 1.65 1.52 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.89 4.32 0.00 2.84 2.87 0.00 0.00 6.95 7.63 0.00 0.00 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 K 7.60 4.20 0.00 1.75 1.75 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.37 7.81 37 N 8.48 4.39 0.00 2.73 2.74 0.00 0.00 6.49 6.11 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 38 K 8.86 3.85 0.00 1.83 1.80 0.00 1.77 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.45 7.81 39 A 7.81 4.08 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 40 S 7.85 4.52 0.00 4.03 3.99 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 41 I 7.50 4.19 1.95 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 1.13 0.76 0.91 0.00 0.00 42 V 8.76 4.47 2.37 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 1.25 0.00 0.00 1.01 0.00 0.00 43 V 8.39 4.80 2.05 0.00 0.00 0.00 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 0.88 0.00 0.00 44 I 8.67 4.63 1.96 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.71 1.00 0.00 0.00 45 I 8.52 4.86 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 1.32 0.55 0.91 0.00 0.00 46 D 9.44 4.96 0.00 2.57 2.60 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 0.00 0.00 0.00 0.00 47 E 8.82 5.02 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 48 V 9.00 4.40 2.31 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 1.07 0.00 0.00 1.05 0.00 0.00 49 D 8.78 4.58 0.00 2.73 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 50 S 8.70 4.14 0.00 4.13 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 51 N 9.53 4.66 0.00 2.68 2.88 0.00 0.00 6.85 7.88 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 52 N 8.30 4.87 0.00 2.85 2.85 0.00 0.00 6.64 7.98 0.00 0.00 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 Y 8.01 4.61 0.00 2.98 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 54 G 8.46 4.51 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 0.00 0.00 0.00 55 L 9.08 4.35 0.00 1.85 1.58 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 56 G 9.34 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 0.00 0.00 0.00 57 G 8.80 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 58 E 7.72 4.84 0.00 1.85 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 2.12 2.07 0.00 59 S 8.37 4.97 0.00 4.26 4.09 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 60 V 8.58 3.65 2.19 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 0.88 0.00 0.00 0.86 0.00 0.00 61 H 8.03 4.10 0.00 3.17 3.22 0.00 5.80 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 7.80 4.63 0.00 3.53 3.32 0.00 5.69 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 63 L 7.82 4.16 0.00 1.73 1.74 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.76 4.16 0.00 1.75 1.93 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 65 Q 8.34 4.31 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.58 0.00 66 K 7.64 4.20 0.00 1.82 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.25 7.81