NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6312 8.3644 120.5310 54.4896 41.6656 175.3112 6 S 4.2601 8.1748 119.1621 56.1318 62.7208 171.7550 7 G 3.8613 9.0045 116.0409 44.4086 0.0000 169.8052 8 L 3.6925 8.4440 115.8585 54.8493 39.4078 175.5535 9 P 4.2403 0.0000 0.0000 65.9552 31.4445 177.4827 10 S 4.0758 8.0428 114.4946 61.4576 62.7533 176.5666 11 V 3.7296 7.7313 120.2054 66.3100 31.3627 178.1749 12 R 3.9525 8.2683 117.9152 59.2679 29.9420 179.1191 13 Q 4.0211 8.6157 118.5245 58.8137 28.6559 178.8457 14 V 3.6071 7.8123 119.3826 65.9295 31.4859 177.8819 15 Q 3.9983 8.4829 119.7171 59.0765 28.7952 178.3303 16 L 3.9948 8.1273 120.2528 57.6814 41.6487 179.3699 17 L 4.0099 7.8196 118.8002 57.7081 41.5037 179.6994 18 I 3.9649 7.8419 121.0847 63.8387 36.8804 178.5132 19 K 3.9418 8.0141 118.0568 59.5696 32.0773 178.4997 20 D 4.5362 8.1351 115.6648 53.7046 41.6616 176.1236 21 Q 3.4397 7.7727 117.7357 57.1096 26.7804 174.2485 22 T 4.2447 7.9235 113.9713 62.4496 69.5206 174.4844 23 P 4.5885 0.0000 0.0000 63.0258 32.7126 175.8868 24 V 5.0277 9.1308 117.0192 59.5477 36.3111 173.8174 25 E 4.5968 9.2999 123.3097 54.5843 31.9699 174.6933 26 I 4.5665 8.2115 127.8066 59.2761 39.7170 174.5148 27 K 4.1011 8.0312 129.9872 55.6514 33.1258 176.3452 28 L 4.8412 8.5460 127.6648 53.1632 43.7575 177.7345 29 L 4.0569 8.7171 120.7215 57.1005 41.5942 178.9033 30 T 3.9429 7.6870 108.0299 62.8308 69.0394 175.5472 31 G 3.9341 8.2991 111.0784 44.9525 0.0000 173.1052 32 D 4.8631 7.6659 119.1366 53.3941 42.9411 175.7048 33 S 5.0505 8.4844 116.0567 56.8333 65.8517 173.4544 34 L 4.7957 8.3282 121.9319 53.0083 45.0060 175.5006 35 F 5.0633 8.8000 118.7082 55.4331 42.5016 175.6942 36 G 4.0206 7.4869 108.7397 46.4010 0.0000 170.9646 37 T 4.9107 7.8695 116.7382 61.6869 71.7763 173.7172 38 I 4.3328 8.2615 126.2797 61.2829 37.9555 176.5600 39 R 4.5769 8.7947 125.6425 56.8491 32.0852 176.1069 40 W 5.2793 7.1576 114.0180 55.7734 31.3308 173.6159 41 Q 5.1833 8.8596 117.7107 54.9742 30.3305 174.1789 42 D 4.7266 9.1712 117.4543 53.0300 41.7566 175.8134 43 T 4.1843 8.7467 113.9418 66.4065 68.7585 174.7312 44 D 4.8757 8.0286 119.8079 54.3256 43.1265 175.3737 45 G 4.7789 8.4072 105.3861 45.2705 0.0000 171.6193 46 L 4.6046 8.8271 119.2850 53.6655 44.7138 175.4911 47 G 3.1236 6.4875 107.0472 43.9326 0.0000 172.1153 48 L 5.0565 8.6197 128.3987 53.1263 44.6502 175.1025 49 V 5.3179 9.0593 126.4301 60.5461 34.4256 175.4023 50 D 4.7855 8.3008 126.0340 52.0713 41.6856 176.2786 51 D 4.4494 8.7078 117.7451 57.2909 41.0252 176.9916 52 S 4.6677 8.0563 115.1349 58.0933 63.5255 174.9245 53 E 3.9422 8.1980 116.0936 56.7446 28.1146 174.9092 54 R 4.2887 7.7123 117.1190 55.7547 30.9786 175.1849 55 S 5.1534 8.7151 118.7237 57.0895 63.8823 172.8839 56 T 4.6349 9.0536 124.3212 61.8810 70.9654 173.5569 57 I 4.5445 8.3911 127.0731 60.3768 38.3101 175.1373 58 V 4.2532 8.4716 128.5443 60.9335 33.5312 175.3333 59 R 4.5015 8.4719 127.3085 55.7775 31.0047 177.6522 60 L 3.9395 8.8060 123.0826 57.7535 41.8159 179.4526 61 A 3.9744 8.0096 119.8100 54.3794 18.5404 177.6187 62 A 4.3847 7.9721 117.6772 52.2886 19.4148 176.6943 63 I 4.2894 7.4580 117.6724 60.3111 38.3070 175.6154 64 A 4.4345 8.8545 128.5952 54.3067 19.0693 176.8223 65 Y 4.8933 7.0368 111.0666 56.1326 41.7149 173.0219 66 I 5.0553 8.3967 120.2291 59.8807 40.2623 175.0700 67 T 4.7683 8.9401 120.3797 59.6932 71.1629 171.2641 68 P 4.8065 0.0000 0.0000 62.6770 32.2431 175.9548 69 R 4.2857 8.6250 124.3547 56.1567 30.9145 176.6973 70 R 4.2433 8.4216 123.7023 56.4768 31.0133 175.1642 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 D 8.36 4.63 0.00 2.68 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 6 S 8.17 4.26 0.00 3.84 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 7 G 9.00 3.86 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 0.00 0.00 0.00 8 L 8.44 3.69 0.00 1.85 1.72 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.24 0.00 2.26 2.31 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 10 S 8.04 4.08 0.00 3.89 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 11 V 7.73 3.73 2.23 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 1.18 0.00 0.00 0.95 0.00 0.00 12 R 8.27 3.95 0.00 1.96 1.97 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 13 Q 8.62 4.02 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 14 V 7.81 3.61 2.30 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 1.01 0.00 0.00 0.96 0.00 0.00 15 Q 8.48 4.00 0.00 2.37 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 16 L 8.13 3.99 0.00 1.93 1.70 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.82 4.01 0.00 1.87 1.71 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.84 3.96 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.45 0.98 0.00 0.00 19 K 8.01 3.94 0.00 1.88 1.89 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.69 7.81 20 D 8.14 4.54 0.00 2.72 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 21 Q 7.77 3.44 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 22 T 7.92 4.24 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 1.22 0.00 0.00 23 P 0.00 4.59 0.00 2.10 2.01 0.00 3.55 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 24 V 9.13 5.03 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 0.87 0.00 0.00 0.91 0.00 0.00 25 E 9.30 4.60 0.00 2.06 1.81 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 1.94 1.51 0.00 26 I 8.21 4.57 1.64 0.00 0.00 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 0.98 0.45 0.74 0.00 0.00 27 K 8.03 4.10 0.00 0.92 0.74 0.00 1.39 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.00 1.09 7.81 28 L 8.55 4.84 0.00 1.59 1.48 0.84 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.72 4.06 0.00 1.58 1.70 0.96 0.73 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 30 T 7.69 3.94 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 1.18 0.00 0.00 31 G 8.30 3.93 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 0.00 0.00 0.00 32 D 7.67 4.86 0.00 2.58 2.56 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 0.00 33 S 8.48 5.05 0.00 3.59 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.33 4.80 0.00 1.33 1.42 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.80 5.06 0.00 2.87 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 36 G 7.49 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 0.00 0.00 0.00 0.00 37 T 7.87 4.91 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 1.23 0.00 0.00 38 I 8.26 4.33 1.80 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 1.21 0.87 0.75 0.00 0.00 39 R 8.79 4.58 0.00 1.59 2.11 0.00 3.42 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 40 W 7.16 5.28 0.00 3.44 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 41 Q 8.86 5.18 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 42 D 9.17 4.73 0.00 2.88 2.89 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 43 T 8.75 4.18 4.27 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 1.23 0.00 0.00 44 D 8.03 4.88 0.00 2.88 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 45 G 8.41 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.83 4.60 0.00 1.51 1.52 0.65 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 47 G 6.49 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 0.00 0.00 0.00 48 L 8.62 5.06 0.00 1.55 1.38 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 49 V 9.06 5.32 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 1.25 0.00 0.00 0.93 0.00 0.00 50 D 8.30 4.79 0.00 2.88 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 51 D 8.71 4.45 0.00 2.67 2.79 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 52 S 8.06 4.67 0.00 3.84 3.78 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 0.00 0.00 0.00 53 E 8.20 3.94 0.00 2.09 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 0.00 2.25 2.25 0.00 54 R 7.71 4.29 0.00 1.97 2.08 0.00 2.76 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.58 0.00 55 S 8.72 5.15 0.00 3.97 3.88 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 0.00 0.00 0.00 56 T 9.05 4.63 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 1.17 0.00 0.00 57 I 8.39 4.54 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.65 1.09 0.00 0.00 58 V 8.47 4.25 1.94 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 0.95 0.00 0.00 0.81 0.00 0.00 59 R 8.47 4.50 0.00 1.87 1.84 0.00 3.38 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 60 L 8.81 3.94 0.00 1.70 1.71 1.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.01 3.97 1.28 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 62 A 7.97 4.38 1.32 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 0.00 0.00 0.00 63 I 7.46 4.29 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.73 0.89 0.00 0.00 64 A 8.85 4.43 1.24 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 0.00 0.00 0.00 65 Y 7.04 4.89 0.00 3.01 3.02 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 0.00 66 I 8.40 5.06 1.89 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 1.16 0.65 0.89 0.00 0.00 67 T 8.94 4.77 4.35 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 1.38 0.00 0.00 68 P 0.00 4.81 0.00 2.00 1.99 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 69 R 8.63 4.29 0.00 1.96 1.90 0.00 3.21 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 70 R 8.42 4.24 0.00 1.80 1.76 0.00 3.30 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00