NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3346 8.1744 110.9434 61.2885 70.5699 173.4021 6 N 4.7512 7.9250 119.9778 53.2767 39.2804 173.4254 7 S 4.4322 8.1511 111.8798 57.5502 64.8018 173.0868 8 D 4.8163 8.5670 122.2106 54.6321 42.4493 174.4495 9 F 5.2600 7.7700 115.7918 55.3211 41.6350 173.8021 10 V 4.5630 8.8072 111.7923 59.4964 35.6510 174.8979 11 V 4.8520 8.5129 122.9480 61.3081 34.0526 174.4817 12 I 4.9773 8.9397 128.2758 59.4460 40.6961 174.0321 13 K 5.0577 9.0963 129.0993 54.3101 34.4147 175.0834 14 A 4.4717 8.8462 130.0738 52.1244 19.2725 177.4623 15 L 4.7410 8.8951 121.5686 54.5035 42.7523 175.8871 16 E 4.6813 7.7169 115.5770 54.7851 32.3920 174.4267 17 D 4.3913 8.3218 119.3182 55.6511 41.3142 177.1688 18 G 3.9013 8.4789 109.8850 45.1909 0.0000 173.9730 19 V 3.9137 7.5576 119.5849 63.2799 32.9481 174.4156 20 N 5.3033 9.1539 123.9782 51.5007 41.8235 173.4325 21 V 4.4558 8.6281 124.8303 61.4694 33.3739 174.3684 22 I 4.5228 8.6522 130.1765 59.2869 39.6001 175.1293 23 G 4.0585 8.8242 115.6600 45.5177 0.0000 172.4188 24 L 5.4663 9.0097 126.5724 53.2145 44.0061 176.3410 25 T 4.5293 8.7646 114.3678 61.6436 69.2960 174.3334 26 R 4.3572 7.9237 126.2589 57.0712 30.9169 174.8609 27 G 3.7352 8.7865 109.3814 44.0990 0.0000 173.1217 28 A 4.0550 8.6235 121.1559 54.3974 18.6460 177.6730 29 D 4.8080 7.8198 114.1266 53.3463 42.5737 176.3116 30 T 4.5207 8.2051 121.2176 61.3465 69.4488 172.6775 31 R 4.7118 8.7677 122.7344 53.8846 33.8324 174.0773 32 F 5.4151 8.6344 117.8214 57.4906 39.1417 175.8094 33 H 4.9416 9.0856 118.9287 56.6379 30.3525 174.4068 34 H 4.7628 7.6001 117.1112 54.9530 33.3225 172.1370 35 S 4.7729 8.1854 119.1215 56.4194 64.6271 172.4532 36 E 4.4039 8.9726 129.8002 55.0391 30.8787 174.8128 37 K 4.8723 8.6057 126.7782 55.4053 33.6206 175.9971 38 L 4.9576 8.8713 125.1451 53.1903 44.7481 175.7858 39 D 5.0904 9.1440 122.2792 52.3219 43.4897 176.0673 40 K 3.9844 8.8987 122.3627 58.3692 32.4473 176.3130 41 G 4.0995 8.9771 114.9751 45.3875 0.0000 173.8402 42 E 4.2202 8.2047 119.0017 56.3474 30.7139 176.3073 43 V 4.9773 8.2966 121.9123 61.0066 34.4599 174.2670 44 L 4.7754 9.1133 129.3109 53.2426 45.0478 174.8221 45 I 4.9981 8.4852 126.2966 59.5593 39.3079 174.7751 46 A 4.6866 8.9104 128.7279 50.2031 22.1466 175.2321 47 Q 4.8150 8.6060 120.7413 54.7206 30.6210 175.7285 48 F 4.7067 8.2359 120.4038 58.0346 39.8427 175.1131 49 T 4.6986 8.8002 111.4450 60.1193 71.9396 173.0818 50 E 4.0063 8.9480 121.3159 59.4690 29.6437 177.3609 51 H 4.5365 8.1521 114.1654 56.4483 29.8817 174.2105 52 T 5.6076 8.4118 116.7070 60.9785 70.8898 174.6054 53 S 4.9548 8.9909 119.6667 58.0266 64.9729 173.2012 54 A 5.1076 7.8567 121.1770 51.2515 22.6264 175.2359 55 I 5.0448 8.4465 119.8111 59.4517 41.0462 174.6339 56 K 4.5863 9.1448 128.4557 54.4578 34.8608 174.6498 57 V 4.7871 8.4300 126.6608 61.2298 33.6119 174.4775 58 R 4.5333 8.8957 127.4009 55.4039 32.6460 176.0203 59 G 4.0774 9.0106 109.1145 43.9761 0.0000 172.4390 60 K 4.7164 9.6121 120.5592 55.3007 32.9907 175.5587 61 A 5.1019 8.5899 127.2177 50.9826 23.3748 173.7168 62 Y 4.9312 9.0841 121.7170 56.0418 41.2130 174.6114 63 I 4.8987 8.1824 126.8149 59.5014 41.0846 174.2453 64 Q 5.0390 8.7270 125.6357 54.3307 31.9422 174.9368 65 T 4.8349 8.5879 112.7447 59.7201 72.4837 174.4752 66 R 3.7327 8.5607 120.5412 59.4659 29.8566 176.5280 67 H 4.7284 8.4962 112.4584 55.1030 29.3847 174.3895 68 G 3.7322 6.7373 106.4439 44.1308 0.0000 173.2203 69 V 4.7698 7.6911 112.5392 59.9792 34.8405 175.0573 70 I 4.3414 7.9591 119.9869 60.3729 41.8958 172.6244 71 E 5.2590 8.7387 126.6340 54.5694 31.7250 176.0985 72 S 4.6108 8.9663 119.2295 57.9916 65.1749 172.8235 73 E 4.8984 8.6988 119.6991 54.5214 32.7763 176.2852 74 G 3.7087 8.5729 111.4542 45.7743 0.0000 172.2917 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 5 T 8.17 4.33 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 6 N 7.93 4.75 0.00 2.80 2.85 0.00 0.00 7.12 6.75 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 7 S 8.15 4.43 0.00 4.06 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 8 D 8.57 4.82 0.00 2.79 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 9 F 7.77 5.26 0.00 3.01 2.93 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 10 V 8.81 4.56 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.85 0.00 0.00 11 V 8.51 4.85 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 1.04 0.00 0.00 1.14 0.00 0.00 12 I 8.94 4.98 1.86 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 1.08 0.55 0.91 0.00 0.00 13 K 9.10 5.06 0.00 1.90 1.83 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.39 7.81 14 A 8.85 4.47 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.90 4.74 0.00 1.63 1.70 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.72 4.68 0.00 2.02 1.88 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 2.34 2.33 0.00 17 D 8.32 4.39 0.00 2.69 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 18 G 8.48 3.90 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 0.00 0.00 0.00 19 V 7.56 3.91 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 1.08 0.00 0.00 0.99 0.00 0.00 20 N 9.15 5.30 0.00 2.61 2.57 0.00 0.00 6.46 8.54 0.00 0.00 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 8.63 4.46 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 0.99 0.00 0.00 0.90 0.00 0.00 22 I 8.65 4.52 1.36 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.35 -0.46 0.00 0.00 23 G 8.82 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 9.01 5.47 0.00 1.88 1.72 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.76 4.53 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 1.39 0.00 0.00 26 R 7.92 4.36 0.00 1.89 1.96 0.00 3.20 0.00 0.00 3.07 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.79 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 28 A 8.62 4.05 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 29 D 7.82 4.81 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.21 4.52 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 1.27 0.00 0.00 31 R 8.77 4.71 0.00 1.80 1.99 0.00 2.77 0.00 0.00 3.56 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 32 F 8.63 5.42 0.00 2.92 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 33 H 9.09 4.94 0.00 3.15 3.51 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.60 4.76 0.00 3.28 3.07 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.19 4.77 0.00 3.70 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.97 4.40 0.00 2.17 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 0.00 2.26 2.32 0.00 37 K 8.61 4.87 0.00 1.64 1.71 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.49 7.81 38 L 8.87 4.96 0.00 1.55 1.54 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.14 5.09 0.00 2.57 2.57 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 K 8.90 3.98 0.00 1.83 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.49 7.81 41 G 8.98 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.20 4.22 0.00 2.05 1.88 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 2.33 2.34 0.00 43 V 8.30 4.98 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 0.81 0.00 0.00 1.01 0.00 0.00 44 L 9.11 4.78 0.00 1.72 1.44 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.49 5.00 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.77 0.71 0.00 0.00 46 A 8.91 4.69 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.61 4.82 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 48 F 8.24 4.71 0.00 3.06 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 49 T 8.80 4.70 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 1.30 0.00 0.00 50 E 8.95 4.01 0.00 1.92 1.98 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 0.00 2.04 2.27 0.00 51 H 8.15 4.54 0.00 3.24 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.41 5.61 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 53 S 8.99 4.95 0.00 3.81 4.06 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 0.00 0.00 0.00 0.00 54 A 7.86 5.11 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 55 I 8.45 5.04 1.90 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.79 0.85 0.00 0.00 56 K 9.14 4.59 0.00 1.79 1.51 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.36 7.81 57 V 8.43 4.79 2.06 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 8.90 4.53 0.00 1.75 1.79 0.00 3.14 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 59 G 9.01 4.08 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 0.00 0.00 0.00 60 K 9.61 4.72 0.00 1.84 1.71 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.26 7.81 61 A 8.59 5.10 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 62 Y 9.08 4.93 0.00 3.04 2.84 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 0.00 0.00 0.00 63 I 8.18 4.90 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.83 0.82 0.00 0.00 64 Q 8.73 5.04 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.10 1.94 0.00 65 T 8.59 4.83 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 1.14 0.00 0.00 66 R 8.56 3.73 0.00 1.73 1.68 0.00 3.13 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 67 H 8.50 4.73 0.00 3.19 3.27 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.74 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.69 4.77 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 0.68 0.00 0.00 0.99 0.00 0.00 70 I 7.96 4.34 1.83 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 1.22 1.34 0.85 0.00 0.00 71 E 8.74 5.26 0.00 1.92 1.88 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 2.54 2.48 0.00 72 S 8.97 4.61 0.00 3.89 3.98 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 0.00 0.00 0.00 0.00 73 E 8.70 4.90 0.00 1.83 1.86 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 2.21 2.29 0.00 74 G 8.57 3.71 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 0.00 0.00 0.00