NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4705 8.3001 118.7935 54.6349 31.9320 174.4964 1 A 4.5586 8.3078 126.2209 50.1867 20.8627 174.3338 2 Q 4.3079 8.4563 117.4573 55.5678 30.6126 173.8620 3 A 4.7976 8.6074 125.2084 50.8384 21.4578 176.1095 4 S 5.1228 9.0226 116.9803 56.4193 67.0485 173.4244 5 V 4.2773 8.3601 121.7149 62.7129 32.3961 174.9767 6 V 4.8870 8.6784 127.3730 60.5764 35.0336 174.3323 7 A 4.4677 8.8742 129.8134 52.4203 18.7294 177.4822 8 N 4.6918 9.3485 122.1339 54.8457 39.6223 174.0956 9 Q 4.6108 7.5579 114.1842 55.3051 31.9373 173.6140 10 L 4.1976 8.4741 122.0480 55.3621 42.9641 176.0210 11 I 4.3663 8.7012 127.8738 58.8867 38.9801 173.6134 12 P 4.6069 0.0000 0.0000 61.9103 32.6449 176.1811 13 I 3.8385 8.2686 121.9135 62.9749 38.2064 175.3793 14 N 4.2315 8.3495 122.7331 54.2816 36.7438 174.4630 15 T 4.1450 7.4130 115.2491 63.6087 69.8622 173.3562 16 Y 4.7179 8.3715 122.9851 57.0197 39.1049 175.4878 17 L 4.2927 9.1312 125.6309 55.1713 43.1180 176.5130 18 T 4.9352 8.3435 112.4984 59.5182 71.8503 175.1808 19 L 4.0680 8.5397 121.6222 57.6957 41.8187 180.1097 20 V 3.7117 7.6971 116.7700 64.1321 31.7848 176.8021 21 M 4.2514 8.0290 119.5777 56.4891 32.2787 175.1699 22 M 5.2592 7.6954 118.9912 53.3479 34.6651 175.4025 23 R 4.6692 8.9911 120.1715 54.4588 33.3077 174.3293 24 S 5.1985 8.3964 113.6373 56.6529 64.3517 172.5769 25 E 4.6921 9.0297 126.4574 54.8463 33.6351 174.0826 26 V 4.3929 8.3533 125.5933 62.1610 31.8510 175.3352 27 V 4.5995 8.2751 120.0434 59.7576 35.5565 175.1956 28 T 4.5681 8.1340 116.9649 61.0546 71.2151 172.8022 29 P 4.5085 0.0000 0.0000 61.9670 32.3723 175.9720 30 V 3.8784 8.1732 119.1421 62.7863 32.8341 176.0209 31 G 4.2769 8.3266 114.8099 45.6186 0.0000 173.6368 32 I 3.9820 8.5077 125.2364 60.7874 38.2147 174.1765 33 P 4.7681 0.0000 0.0000 62.7647 31.9345 177.3055 34 A 3.9642 8.9350 124.9684 55.3224 17.9961 179.8645 35 E 4.0054 8.2435 114.9135 59.4153 29.7219 178.0432 36 D 4.7447 8.1566 118.2092 54.3315 41.0131 177.9171 37 I 3.6969 7.7948 122.9500 64.1212 36.7724 176.0675 38 P 4.2228 0.0000 0.0000 65.4893 31.2348 177.7058 39 R 4.3697 7.7424 110.7697 56.3168 30.0114 176.8865 40 L 4.3681 7.9742 119.4231 55.9353 42.3612 177.0187 41 V 4.0226 7.0297 118.9769 64.1955 31.7625 175.8466 42 S 4.0711 8.9671 121.6992 59.4559 60.9564 170.1695 43 M 4.7745 8.0326 120.3531 54.1020 34.2973 174.7735 44 Q 4.7377 8.4379 122.2337 54.7776 31.3631 175.0315 45 V 4.4812 8.2020 119.2311 60.7675 33.4013 176.0902 46 N 5.0424 8.7997 120.7504 52.5140 38.4113 174.1017 47 R 4.7987 7.4560 113.5668 55.2398 32.2076 174.2701 48 A 4.2668 8.5607 122.2468 52.0910 19.4204 177.4109 49 V 4.2129 8.8485 122.2137 60.2045 33.8208 173.2760 50 P 4.6465 0.0000 0.0000 61.9621 32.6710 175.9165 51 L 3.9669 8.4937 123.4296 57.2272 42.1254 177.8146 52 G 3.9687 9.0242 113.8390 45.6286 0.0000 173.4973 53 T 4.2655 7.6726 117.5004 63.1842 69.8587 174.3720 54 T 4.3824 8.3804 122.7691 63.4999 69.4813 174.0503 55 L 4.2261 9.0746 127.3785 54.6623 42.8694 176.4163 56 M 4.6876 8.4364 123.3058 52.8621 34.2083 175.1368 57 P 4.0679 0.0000 0.0000 65.9189 31.5730 178.2082 58 D 4.5813 8.0139 114.7928 55.1751 39.7099 176.5435 59 M 4.6384 8.1328 118.9658 54.9608 32.9850 175.4726 60 V 4.5885 7.3293 120.0653 60.4313 33.1826 174.7305 61 K 4.3077 8.7944 128.4286 57.7718 32.1033 177.5966 62 G 3.9786 9.0339 112.5169 45.1995 0.0000 172.5504 63 Y 4.2021 7.6193 120.5847 57.1511 39.3872 174.8176 64 A 4.1689 7.4228 128.3671 50.7637 22.2266 175.8592 65 A 4.0905 8.1396 124.9647 52.1183 19.3313 176.0262 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 0 M 8.30 4.47 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 1 A 8.31 4.56 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.46 4.31 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 3 A 8.61 4.80 1.23 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 0.00 0.00 0.00 4 S 9.02 5.12 0.00 3.69 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 5 V 8.36 4.28 2.02 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 0.83 0.00 0.00 0.90 0.00 0.00 6 V 8.68 4.89 2.07 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 1.06 0.00 0.00 0.92 0.00 0.00 7 A 8.87 4.47 1.33 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 0.00 0.00 0.00 8 N 9.35 4.69 0.00 2.69 2.98 0.00 0.00 7.07 6.99 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 9 Q 7.56 4.61 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 10 L 8.47 4.20 0.00 1.65 1.61 0.94 0.95 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 11 I 8.70 4.37 1.84 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 1.21 0.64 0.88 0.00 0.00 12 P 0.00 4.61 0.00 2.05 1.95 0.00 3.60 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 13 I 8.27 3.84 1.84 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 1.37 0.78 0.89 0.00 0.00 14 N 8.35 4.23 0.00 2.81 2.80 0.00 0.00 7.04 7.39 0.00 0.00 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 T 7.41 4.14 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 16 Y 8.37 4.72 0.00 2.94 2.95 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 17 L 9.13 4.29 0.00 1.80 1.61 0.96 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.34 4.94 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 19 L 8.54 4.07 0.00 1.74 1.77 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.70 3.71 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 0.77 0.00 0.00 0.93 0.00 0.00 21 M 8.03 4.25 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 22 M 7.70 5.26 0.00 1.82 1.94 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 23 R 8.99 4.67 0.00 1.83 2.03 0.00 2.72 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 24 S 8.40 5.20 0.00 3.87 3.76 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 25 E 9.03 4.69 0.00 2.03 1.70 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 2.20 2.25 0.00 26 V 8.35 4.39 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 0.90 0.00 0.00 0.93 0.00 0.00 27 V 8.28 4.60 2.07 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 0.80 0.00 0.00 0.92 0.00 0.00 28 T 8.13 4.57 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 29 P 0.00 4.51 0.00 2.17 2.05 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 30 V 8.17 3.88 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 0.80 0.00 0.00 0.93 0.00 0.00 31 G 8.33 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.51 3.98 1.71 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.58 0.77 0.00 0.00 33 P 0.00 4.77 0.00 2.26 2.20 0.00 3.78 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.04 0.00 34 A 8.94 3.96 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 35 E 8.24 4.01 0.00 2.14 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 0.00 2.31 2.43 0.00 36 D 8.16 4.74 0.00 2.95 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 37 I 7.79 3.70 1.88 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 1.52 0.67 0.92 0.00 0.00 38 P 0.00 4.22 0.00 2.19 2.14 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 39 R 7.74 4.37 0.00 1.96 2.07 0.00 3.08 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.72 0.00 40 L 7.97 4.37 0.00 1.90 1.75 0.83 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.03 4.02 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 0.78 0.00 0.00 0.95 0.00 0.00 42 S 8.97 4.07 0.00 4.10 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 43 M 8.03 4.77 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 44 Q 8.44 4.74 0.00 1.57 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.03 0.00 0.00 0.00 0.00 0.00 2.08 1.91 0.00 45 V 8.20 4.48 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 0.66 0.00 0.00 0.94 0.00 0.00 46 N 8.80 5.04 0.00 2.80 2.99 0.00 0.00 6.62 8.16 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 47 R 7.46 4.80 0.00 1.77 1.87 0.00 3.01 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 48 A 8.56 4.27 1.23 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 0.00 0.00 0.00 49 V 8.85 4.21 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 1.02 0.00 0.00 0.90 0.00 0.00 50 P 0.00 4.65 0.00 2.10 1.95 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 51 L 8.49 3.97 0.00 1.57 1.60 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 52 G 9.02 3.97 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 0.00 0.00 0.00 53 T 7.67 4.27 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 1.19 0.00 0.00 54 T 8.38 4.38 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 55 L 9.07 4.23 0.00 1.68 1.48 0.88 0.69 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 56 M 8.44 4.69 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 57 P 0.00 4.07 0.00 2.27 2.42 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 58 D 8.01 4.58 0.00 2.79 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 59 M 8.13 4.64 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 60 V 7.33 4.59 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 1.04 0.00 0.00 0.79 0.00 0.00 61 K 8.79 4.31 0.00 1.86 1.77 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.36 7.81 62 G 9.03 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 0.00 0.00 0.00 63 Y 7.62 4.20 0.00 2.96 2.98 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 64 A 7.42 4.17 1.05 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 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.14 4.09 1.23 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 0.00 0.00 0.00