NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4809 8.1593 117.3749 63.7003 69.7052 174.2155 3 T 4.1678 8.4694 118.2599 60.1475 71.3713 174.0764 4 D 4.2892 8.9059 122.2106 57.6756 41.0420 179.9892 5 A 4.0434 8.0010 119.1827 55.3922 18.5396 179.0561 6 E 4.0623 8.3721 116.8483 59.6934 29.4861 178.7410 7 C 4.1916 8.1315 116.4459 60.3218 40.1303 176.0554 8 L 3.7905 8.0976 119.4457 58.0166 41.3223 179.3574 9 S 4.3724 7.6376 111.3973 58.9569 63.5770 174.8676 10 K 4.3035 7.3738 122.3843 55.6447 32.5330 175.0336 11 P 4.5763 0.0000 0.0000 62.2523 32.1311 176.3141 12 A 4.8906 8.4323 122.8564 52.2224 19.6548 176.3007 13 F 5.0098 8.4053 113.1727 56.0721 42.0607 172.6459 14 D 5.3787 9.3159 119.4335 52.0059 42.6482 176.7081 15 G 4.1583 8.1614 109.3527 47.1052 0.0000 170.3544 16 T 5.8520 8.2904 116.3933 61.7053 69.7671 174.8479 17 L 4.5885 8.6221 125.7246 52.8484 45.0714 175.3138 18 S 5.0251 7.9633 114.9128 56.1665 66.6390 172.5471 19 N 4.2595 8.7426 113.5750 54.2573 35.9134 175.0266 20 V 4.1382 8.1128 117.5915 62.7028 32.6234 174.9632 21 W 5.1901 8.6783 123.6004 54.5198 32.0834 173.6409 22 K 5.1743 8.9805 120.4295 54.6861 34.5564 174.9359 23 E 4.7666 9.3303 126.3707 55.4302 33.1665 176.0992 24 G 3.7887 8.4262 113.7414 47.2596 0.0000 175.9276 25 D 4.5111 8.9370 124.4391 54.9860 41.3210 176.1101 26 S 4.5951 8.0107 115.5229 56.6596 65.2130 172.9387 27 R 4.9434 7.4979 120.6237 54.7287 33.2496 174.4795 28 Y 5.5285 8.3162 118.2123 55.5943 42.9554 173.8853 29 A 4.3734 7.7141 119.2898 50.9739 22.5498 175.2177 30 N 5.3148 8.9490 118.1721 52.9878 39.9616 174.8670 31 F 4.8083 9.9917 123.5474 58.8030 43.2974 173.6778 32 E 3.5320 9.1028 126.8126 58.0941 26.8900 174.4539 33 N 4.2880 8.1306 109.5686 54.2156 37.0564 174.6453 34 C 5.5396 8.5418 114.9250 55.3486 43.8904 172.7052 35 I 5.1917 9.2355 121.7374 60.2212 39.0095 174.7247 36 Y 5.1237 9.1082 124.4111 56.2632 40.9923 174.2976 37 E 4.8981 9.6185 123.5594 54.2817 32.8794 174.4006 38 L 3.9939 7.6154 128.1321 53.9390 43.4479 175.5334 39 S 4.2509 8.1889 119.3182 57.7139 67.0397 173.9292 40 G 3.8668 8.4648 106.0598 45.7082 0.0000 172.6588 41 I 4.1679 8.2390 122.7823 60.3150 38.2201 175.1902 42 G 4.4274 8.5771 111.7700 44.4214 0.0000 171.8959 43 I 4.5347 8.9552 123.2103 59.1330 39.8795 175.2108 44 G 2.8091 7.5555 113.4837 44.6303 0.0000 172.1095 45 Y 4.5202 8.3979 117.5064 57.1876 41.5544 172.6945 46 D 4.4670 9.3201 113.7567 57.4340 38.0212 173.3800 47 N 4.2374 8.9053 110.1505 54.5354 36.8616 175.4881 48 D 4.7418 8.2461 113.4085 55.1705 38.5183 175.1372 49 T 4.6990 8.0749 109.4853 61.7321 69.8546 173.9563 50 S 5.1201 8.1541 119.8706 56.5338 65.8611 173.0286 51 W 5.1203 9.1965 124.3685 54.8199 32.7959 173.7890 52 N 5.3923 9.5534 124.0154 51.9463 40.0720 174.1786 53 G 3.9551 8.1708 114.0231 46.6370 0.0000 170.6626 54 H 5.1023 7.3006 121.9298 54.7105 31.5675 175.1198 55 W 5.0971 8.4343 126.1089 55.1239 31.7300 174.9250 56 T 5.1154 8.9114 121.1737 60.6835 71.6400 171.7744 57 P 3.9313 0.0000 0.0000 63.0990 31.2898 176.4083 58 V 4.4495 8.3430 115.4221 62.2627 34.7087 175.3064 59 R 4.4866 7.4265 114.2306 55.2048 32.1908 174.0214 60 A 4.5781 9.6503 121.7651 51.3692 19.1207 177.2194 61 A 4.1397 8.0591 121.3278 53.0591 19.5605 177.9614 62 D 4.7083 8.5785 117.4285 54.9791 40.7074 174.5346 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 2 T 8.16 4.48 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 1.22 0.00 0.00 3 T 8.47 4.17 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 4 D 8.91 4.29 0.00 2.71 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 5 A 8.00 4.04 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 6 E 8.37 4.06 0.00 2.18 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 0.00 2.33 2.35 0.00 7 C 8.13 4.19 0.00 3.15 3.07 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 0.00 0.00 0.00 0.00 8 L 8.10 3.79 0.00 1.73 1.76 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.64 4.37 0.00 4.02 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 10 K 7.37 4.30 0.00 2.00 1.96 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.59 7.81 11 P 0.00 4.58 0.00 2.21 2.08 0.00 3.83 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 2.11 2.15 0.00 12 A 8.43 4.89 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.41 5.01 0.00 3.19 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 14 D 9.32 5.38 0.00 2.67 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 15 G 8.16 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.29 5.85 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 1.25 0.00 0.00 17 L 8.62 4.59 0.00 0.35 0.88 -0.58 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.96 5.03 0.00 3.78 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 19 N 8.74 4.26 0.00 2.95 3.05 0.00 0.00 6.79 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 20 V 8.11 4.14 2.40 0.00 0.00 0.00 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 1.18 0.00 0.00 21 W 8.68 5.19 0.00 3.44 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 22 K 8.98 5.17 0.00 1.78 1.78 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.54 7.81 23 E 9.33 4.77 0.00 2.22 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 2.45 2.55 0.00 24 G 8.43 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.94 4.51 0.00 2.64 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 26 S 8.01 4.60 0.00 3.88 3.51 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 27 R 7.50 4.94 0.00 1.17 1.38 0.00 2.21 0.00 0.00 2.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.02 0.00 28 Y 8.32 5.53 0.00 1.43 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 0.00 0.00 0.00 0.00 29 A 7.71 4.37 0.72 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 0.00 0.00 30 N 8.95 5.31 0.00 2.82 2.93 0.00 0.00 6.70 7.45 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 31 F 9.99 4.81 0.00 2.73 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 32 E 9.10 3.53 0.00 1.88 1.74 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 1.58 1.47 0.00 33 N 8.13 4.29 0.00 2.89 2.88 0.00 0.00 6.74 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 34 C 8.54 5.54 0.00 3.14 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 35 I 9.24 5.19 2.13 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.01 1.18 0.00 0.00 36 Y 9.11 5.12 0.00 2.83 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 37 E 9.62 4.90 0.00 1.85 1.63 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 0.00 1.77 1.50 0.00 38 L 7.62 3.99 0.00 0.27 0.74 -0.12 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.19 4.25 0.00 3.73 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 40 G 8.46 3.87 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 0.00 0.00 0.00 41 I 8.24 4.17 1.86 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 1.34 0.58 0.92 0.00 0.00 42 G 8.58 4.43 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 0.00 43 I 8.96 4.53 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 1.19 0.95 0.84 0.00 0.00 44 G 7.56 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 0.00 0.00 0.00 45 Y 8.40 4.52 0.00 2.92 2.86 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 46 D 9.32 4.47 0.00 2.70 2.69 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 47 N 8.91 4.24 0.00 2.84 2.90 0.00 0.00 7.33 8.06 0.00 0.00 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 D 8.25 4.74 0.00 3.00 3.20 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 49 T 8.07 4.70 4.32 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 0.00 0.00 1.30 0.00 0.00 50 S 8.15 5.12 0.00 2.85 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 51 W 9.20 5.12 0.00 3.56 3.19 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 52 N 9.55 5.39 0.00 2.99 2.79 0.00 0.00 6.64 7.82 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 53 G 8.17 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 0.00 0.00 0.00 54 H 7.30 5.10 0.00 3.21 3.11 0.00 5.54 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 W 8.43 5.10 0.00 1.91 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 56 T 8.91 5.12 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 1.21 0.00 0.00 57 P 0.00 3.93 0.00 1.92 1.33 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.16 0.00 58 V 8.34 4.45 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 0.79 0.00 0.00 1.15 0.00 0.00 59 R 7.43 4.49 0.00 2.02 2.01 0.00 3.09 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 60 A 9.65 4.58 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 61 A 8.06 4.14 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 62 D 8.58 4.71 0.00 2.83 2.69 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