NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 K 4.5824 8.1733 120.0901 56.6650 34.2322 174.5471 24 L 4.4099 9.1627 124.8679 54.2667 46.4031 172.9433 25 K 4.9549 8.4026 116.6360 55.7807 37.6055 176.0027 26 V 4.9679 7.4039 118.9590 60.5993 30.9857 175.7290 27 I 3.7921 7.4451 120.9093 61.5947 38.3779 178.0971 28 G 4.1990 7.7945 115.9370 44.2536 0.0000 174.2939 29 Q 4.1933 7.5293 117.0016 53.4488 25.7575 174.7666 30 D 4.4563 6.6323 127.7350 51.9577 42.0058 177.6665 31 S 4.7142 8.3990 125.4374 59.0919 66.2286 177.4697 32 S 3.8429 7.4179 118.4251 56.0387 60.6893 172.8382 33 E 4.3950 8.4188 127.2161 55.6477 29.8563 176.1968 34 I 4.2499 8.0860 127.2908 59.2957 36.8579 173.4455 35 H 4.5809 8.3025 121.5145 56.5297 29.5375 174.2261 36 F 4.8371 8.4813 121.4765 56.3367 43.0766 173.9109 37 K 4.7348 8.6396 114.0029 56.5693 35.4400 175.3290 38 V 4.3092 8.2662 115.5674 61.1449 34.3753 171.9210 39 K 4.4089 8.1576 121.6967 54.9592 33.2245 176.7611 40 M 4.4680 8.4765 121.0822 55.8478 29.3576 174.3209 41 T 4.1844 7.7446 126.9239 65.1600 75.0894 174.3418 42 T 4.3392 7.4331 116.5247 62.9365 69.4331 174.0099 43 H 3.9475 8.1365 120.9277 54.8916 30.2794 175.5042 44 L 4.4362 7.7903 119.6462 54.8811 42.6171 178.9126 45 K 4.4753 8.1470 121.5868 58.8078 31.9446 178.4748 46 K 4.0062 7.8970 118.7182 59.5528 32.1898 178.3624 47 L 3.8883 7.7686 120.4432 57.0452 42.0233 177.5490 48 K 3.6488 7.6554 120.1848 58.0096 31.8806 177.7370 49 E 3.9550 8.0909 120.7631 59.7915 29.8756 179.3387 50 S 4.3268 7.5663 111.9871 61.7570 62.7299 175.5205 51 Y 4.3375 7.7593 120.9028 61.0202 38.5746 177.3839 52 C 4.3824 8.2111 114.4756 61.3301 28.2262 175.5003 53 Q 4.0834 7.8310 122.3447 58.5296 29.8820 177.1156 54 R 4.3444 7.5714 115.7809 55.5500 29.2003 175.0909 55 Q 4.5648 7.3429 114.9457 54.7705 33.2071 176.3600 56 G 3.7835 8.5329 107.5134 47.0569 0.0000 174.2845 57 V 4.3455 7.3596 118.7257 60.2851 34.2170 172.7534 58 P 4.3159 0.0000 0.0000 62.2227 31.9094 176.2497 59 M 4.0121 8.7109 117.1236 59.4567 32.2097 178.0037 60 N 4.4852 8.2630 112.3926 55.1493 38.9137 175.4415 61 S 4.7056 7.7324 114.4566 58.6414 64.5638 173.7103 62 L 5.4377 9.8657 118.4829 52.7505 45.3207 176.1211 63 R 4.8382 8.4196 116.0037 54.9986 33.5543 173.8397 64 F 5.0005 9.3127 120.8194 56.3160 40.6155 174.5949 65 L 5.2988 8.7948 123.9327 52.8429 44.3178 176.0712 66 F 4.8400 8.9017 124.2803 56.8101 42.0243 174.2497 67 E 3.6446 10.3014 124.3472 57.6072 26.9188 175.2126 68 G 4.1628 7.5856 109.8864 46.0797 0.0000 175.2049 69 Q 3.8921 7.9059 118.6754 55.7057 29.0053 175.8767 70 R 4.6482 8.3769 121.7051 55.3970 30.0977 174.7857 71 I 3.9346 8.3683 128.4318 61.3601 36.8170 175.8238 72 A 4.2221 8.5182 128.7347 51.9746 19.0589 177.1550 73 D 4.3675 8.7448 117.3389 57.7355 41.0480 179.1059 74 N 4.3349 8.0678 113.9540 55.4088 38.5835 174.9645 75 H 4.4558 7.6671 119.0598 56.1251 30.8388 173.9833 76 T 4.8097 8.1101 112.9550 58.1557 71.8600 173.0901 77 P 4.3662 0.0000 0.0000 65.5951 30.7614 178.3159 78 K 4.0517 7.9321 118.3866 58.3328 32.3992 176.9936 79 E 4.4134 8.5051 117.3707 56.5203 29.9709 176.5721 80 L 4.5460 7.7877 117.0164 54.5585 43.9925 176.0258 81 G 3.8200 7.7039 105.3846 46.3831 0.0000 172.7954 82 M 4.5141 7.5519 116.6931 54.1465 34.5305 174.5558 83 E 4.5345 9.1691 124.6503 54.2251 30.9592 175.4486 84 E 3.9687 8.6925 124.4764 57.9944 30.0227 175.7505 85 E 3.6521 9.0799 124.5350 57.6661 28.2326 173.1292 86 D 4.9638 7.4954 115.6172 52.4644 44.6835 174.4919 87 V 4.4803 8.3236 120.4426 61.2802 33.1264 175.6736 88 I 4.4974 8.1870 129.5797 59.0192 37.0111 174.9013 89 E 4.4628 8.4117 125.2848 55.9681 30.7918 175.7334 90 V 4.5638 7.5627 120.2928 61.3178 35.2024 173.7057 91 Y 5.0150 8.4387 123.7584 56.1794 41.7742 174.3260 92 Q 4.8765 8.7835 123.1530 54.4980 30.4909 174.8106 93 E 4.1079 8.7882 126.9232 56.5983 30.6450 176.3443 94 Q 4.7510 8.4691 121.3061 54.4582 32.6467 175.0851 95 T 4.6985 8.2045 109.4674 60.5222 71.6373 173.2670 96 G 4.2311 8.1719 111.9546 44.5350 0.0000 172.7262 97 G 3.7399 8.3821 108.2855 46.1047 0.0000 173.5256 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 23 K 8.17 4.58 0.00 1.92 1.83 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.50 7.81 24 L 9.16 4.41 0.00 1.64 1.60 0.82 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.40 4.95 0.00 2.01 1.68 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.53 7.81 26 V 7.40 4.97 2.10 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 0.45 0.00 0.00 1.01 0.00 0.00 27 I 7.45 3.79 1.83 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 1.22 1.08 0.91 0.00 0.00 28 G 7.79 4.20 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 0.00 0.00 0.00 29 Q 7.53 4.19 0.00 1.88 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 30 D 6.63 4.46 0.00 2.75 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 31 S 8.40 4.71 0.00 3.85 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 32 S 7.42 3.84 0.00 4.06 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 33 E 8.42 4.39 0.00 1.81 1.76 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 2.24 2.54 0.00 34 I 8.09 4.25 2.24 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.01 1.03 0.00 0.00 35 H 8.30 4.58 0.00 3.01 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.48 4.84 0.00 3.11 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 37 K 8.64 4.73 0.00 1.64 1.70 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.43 7.81 38 V 8.27 4.31 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 0.63 0.00 0.00 0.90 0.00 0.00 39 K 8.16 4.41 0.00 1.81 1.71 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.41 7.81 40 M 8.48 4.47 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 41 T 7.74 4.18 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 42 T 7.43 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 1.21 0.00 0.00 43 H 8.14 3.95 0.00 3.06 3.30 0.00 5.86 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 44 L 7.79 4.44 0.00 1.36 1.47 0.77 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.15 4.48 0.00 1.87 1.81 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.50 7.81 46 K 7.90 4.01 0.00 2.00 2.02 0.00 1.54 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.62 1.42 7.81 47 L 7.77 3.89 0.00 1.55 1.60 -0.29 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.66 3.65 0.00 1.71 1.55 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.11 0.27 7.81 49 E 8.09 3.95 0.00 2.01 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 0.00 2.35 2.55 0.00 50 S 7.57 4.33 0.00 3.98 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 51 Y 7.76 4.34 0.00 3.26 3.29 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 52 C 8.21 4.38 0.00 3.13 3.09 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 53 Q 7.83 4.08 0.00 2.37 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.52 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 54 R 7.57 4.34 0.00 1.86 1.91 0.00 3.17 0.00 0.00 3.32 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.48 0.00 55 Q 7.34 4.56 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 56 G 8.53 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 0.00 0.00 0.00 57 V 7.36 4.35 2.10 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 0.88 0.00 0.00 0.94 0.00 0.00 58 P 0.00 4.32 0.00 2.24 2.08 0.00 3.67 0.00 0.00 3.71 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 59 M 8.71 4.01 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.67 0.00 60 N 8.26 4.49 0.00 2.79 2.90 0.00 0.00 6.82 7.57 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 61 S 7.73 4.71 0.00 3.81 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.87 5.44 0.00 1.54 1.29 1.09 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.42 4.84 0.00 1.90 2.05 0.00 2.95 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 64 F 9.31 5.00 0.00 3.02 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 65 L 8.79 5.30 0.00 1.77 1.65 1.12 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.90 4.84 0.00 3.00 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 67 E 10.30 3.64 0.00 1.49 1.71 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 1.47 1.79 0.00 68 G 7.59 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 69 Q 7.91 3.89 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.99 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 70 R 8.38 4.65 0.00 1.88 1.97 0.00 3.29 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 71 I 8.37 3.93 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.90 0.82 0.00 0.00 72 A 8.52 4.22 1.26 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 0.00 0.00 0.00 73 D 8.74 4.37 0.00 2.71 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 74 N 8.07 4.33 0.00 2.68 2.85 0.00 0.00 6.84 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 75 H 7.67 4.46 0.00 3.17 3.10 0.00 5.55 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.11 4.81 4.34 0.00 0.00 0.00 0.00 0.00 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 77 P 0.00 4.37 0.00 2.21 2.25 0.00 3.68 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 1.98 0.00 78 K 7.93 4.05 0.00 1.76 1.87 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.49 7.81 79 E 8.51 4.41 0.00 1.96 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 0.00 2.30 2.34 0.00 80 L 7.79 4.55 0.00 1.71 1.80 0.75 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.70 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 M 7.55 4.51 0.00 1.72 1.65 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.62 0.00 83 E 9.17 4.53 0.00 2.29 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 2.32 2.41 0.00 84 E 8.69 3.97 0.00 1.92 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 2.52 2.38 0.00 85 E 9.08 3.65 0.00 2.11 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 0.00 2.22 2.25 0.00 86 D 7.50 4.96 0.00 3.10 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.32 4.48 2.14 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 0.89 0.00 0.00 0.97 0.00 0.00 88 I 8.19 4.50 1.84 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.66 0.99 0.00 0.00 89 E 8.41 4.46 0.00 1.98 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.23 0.00 90 V 7.56 4.56 1.61 0.00 0.00 0.00 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 0.03 0.00 0.00 91 Y 8.44 5.02 0.00 2.98 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 92 Q 8.78 4.88 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 93 E 8.79 4.11 0.00 1.99 1.90 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 2.35 2.36 0.00 94 Q 8.47 4.75 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.44 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 95 T 8.20 4.70 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 96 G 8.17 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 0.00 0.00 0.00 0.00 97 G 8.38 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