NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4742 8.1627 120.3676 55.5598 34.0998 177.1407 1 K 3.9316 8.0990 117.8631 56.4977 32.5969 173.9529 2 S 4.6323 8.0617 112.2421 56.7972 66.9696 172.4338 3 P 4.5624 0.0000 0.0000 63.7817 28.2766 175.9575 4 E 3.7878 8.0503 119.3010 57.8637 26.3232 175.2858 5 E 4.4832 7.7858 119.9423 57.1671 31.9152 177.2501 6 L 4.0717 7.8622 120.2831 57.5196 42.8481 178.2410 7 K 3.9404 8.5306 119.5463 59.2222 32.5734 178.9086 8 G 3.5498 8.1324 107.8463 49.4982 0.0000 175.3108 9 I 2.5614 7.3134 121.9253 63.4148 38.5096 176.5687 10 F 4.1014 7.5718 118.4318 55.0565 37.6747 175.0168 11 E 5.4045 6.8864 129.5421 55.9246 29.7594 178.1564 12 K 4.1117 6.5086 121.3113 58.3283 31.8566 178.1452 13 Y 4.2895 6.3159 115.0475 61.1873 38.4037 177.6760 14 A 4.0379 7.5937 122.9541 54.5573 17.9423 178.9149 15 D 5.0769 7.1622 115.2674 55.8917 41.4320 177.7631 16 K 3.9652 7.8824 120.0225 58.9942 32.2304 176.8584 17 E 3.9698 8.5424 117.1753 57.0196 29.6970 179.3570 18 G 4.0099 7.9937 112.3656 45.2700 0.0000 174.1367 19 D 4.3716 8.6649 126.9445 54.6444 41.1325 176.5379 20 G 3.9347 8.3015 106.1286 45.1748 0.0000 173.6171 21 N 4.4841 7.7151 114.1533 52.5043 39.3174 174.3279 22 Q 4.7335 6.8598 116.5824 54.4243 33.8623 173.8886 23 L 5.2029 8.4741 121.2621 54.0668 45.7035 174.3958 24 S 5.6573 8.0139 113.0693 59.4086 66.6214 175.5707 25 K 4.1055 8.7905 120.9407 59.4021 32.0697 177.5660 26 E 4.3869 8.1234 114.6575 56.5733 29.6462 176.4861 27 E 4.6307 7.9383 113.8585 55.4820 31.4265 176.1341 28 L 4.5171 7.9931 122.2239 57.3804 42.8319 178.0445 29 K 3.8885 7.9439 119.0471 59.7270 32.0034 178.4735 30 L 3.8151 7.7818 117.0395 58.1128 41.6615 177.9731 31 L 3.9309 7.8224 120.2328 57.3245 41.6115 178.4476 32 L 4.0336 8.1487 117.2570 58.3253 41.9882 179.2060 33 Q 3.9798 7.7186 116.6867 59.3922 28.7524 179.6200 34 T 3.9879 7.5959 108.8876 65.3551 69.1434 176.2375 35 E 3.8645 7.7707 120.7137 56.3164 30.5876 178.0680 36 F 4.8611 8.0104 122.9331 55.0393 40.9418 173.1642 37 P 4.2621 0.0000 0.0000 65.6867 31.4499 178.0794 38 S 5.1302 8.0065 109.7064 58.5809 62.8412 174.6295 39 L 4.1877 8.2552 123.9881 56.9834 42.5761 177.3309 40 L 4.5805 7.1466 120.8207 54.7378 40.4134 176.2250 41 K 4.4830 7.2657 129.6889 56.5281 31.2140 179.3693 42 G 3.7675 9.2164 117.0957 46.2085 0.0000 172.1313 43 M 3.0783 7.5890 122.3331 54.5123 32.2875 176.3613 44 S 3.9852 8.4754 110.1430 59.4527 62.6777 173.0105 45 T 4.1686 7.3121 118.1016 64.5423 69.5187 175.1777 46 L 3.9158 9.8992 122.7170 56.0040 40.9977 173.3967 47 D 4.8562 7.6770 115.7351 56.4516 47.3800 177.0616 48 E 4.2959 7.9154 115.8979 57.4083 29.5835 178.1572 49 L 4.2029 7.7819 120.4347 56.8862 42.8795 177.9759 50 F 4.2684 8.3309 120.8713 61.1093 39.2682 176.8145 51 E 4.8883 8.2407 119.4740 58.0822 29.3957 177.7289 52 E 3.9267 7.9575 118.0457 58.3249 29.6433 176.4494 53 L 4.2996 7.1905 116.3278 55.5406 43.5618 176.2460 54 D 4.9656 7.6402 115.4640 52.2557 44.1504 176.2166 55 K 4.6006 8.2096 115.2744 56.3578 33.8301 176.7184 56 N 4.8012 8.1555 114.8027 54.9342 40.5498 175.8340 57 G 3.7528 7.5534 108.1932 47.3479 0.0000 174.3539 58 D 4.6794 7.7332 117.4956 54.6717 40.5600 175.0665 59 G 3.7477 9.0429 104.3050 44.2889 0.0000 172.8838 60 E 5.3688 8.1305 119.2541 54.5650 32.9712 175.6916 61 V 4.4089 8.7174 122.8103 61.0311 34.3683 175.0867 62 S 5.2499 8.6580 123.3698 57.5636 64.6176 174.7961 63 F 3.8165 9.3646 120.8332 60.1825 38.9707 175.7650 64 E 4.0587 7.9331 117.5684 58.8855 29.3408 177.2541 65 E 4.4202 7.9416 116.7623 56.7165 30.6463 176.6714 66 F 4.5403 7.8688 120.1552 58.6639 39.1670 176.7652 67 Q 3.6207 7.3830 118.2721 58.6405 28.4359 178.2323 68 V 3.4258 7.5271 117.9532 64.9193 31.8178 176.0779 69 L 4.1525 6.8769 119.3299 56.1652 42.8726 178.6526 70 V 3.4089 7.2122 112.4137 64.0677 31.4891 177.0648 71 K 4.3724 7.6742 117.3467 56.6482 31.9094 177.1670 72 K 4.4966 8.0978 116.4654 56.2281 33.4990 176.6042 73 I 4.6503 7.4897 118.0097 62.9227 38.5204 176.8092 74 S 3.6253 7.9269 108.9802 58.6282 62.6050 174.3318 75 Q 3.7022 8.3836 123.1510 55.7015 28.6520 173.7383 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 8.16 4.47 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.74 0.00 1 K 8.10 3.93 0.00 1.87 1.87 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.56 7.81 2 S 8.06 4.63 0.00 4.14 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 3 P 0.00 4.56 0.00 2.09 2.09 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 4 E 8.05 3.79 0.00 2.14 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 2.21 2.29 0.00 5 E 7.79 4.48 0.00 1.89 1.97 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 2.49 2.29 0.00 6 L 7.86 4.07 0.00 1.91 1.81 1.43 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.53 3.94 0.00 1.95 1.83 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.27 7.81 8 G 8.13 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.31 2.56 2.08 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.94 1.33 0.00 0.00 10 F 7.57 4.10 0.00 3.13 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 11 E 6.89 5.40 0.00 2.05 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 2.21 1.93 0.00 12 K 6.51 4.11 0.00 1.56 0.75 0.00 1.60 0.00 0.00 1.94 0.00 0.00 3.19 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.46 7.81 13 Y 6.32 4.29 0.00 3.12 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 14 A 7.59 4.04 0.73 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 15 D 7.16 5.08 0.00 2.59 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 16 K 7.88 3.97 0.00 1.82 2.10 0.00 1.95 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.67 7.81 17 E 8.54 3.97 0.00 2.25 1.73 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 2.30 2.62 0.00 18 G 7.99 4.01 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 0.00 0.00 0.00 19 D 8.66 4.37 0.00 2.62 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 20 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 21 N 7.72 4.48 0.00 2.63 2.88 0.00 0.00 6.68 7.61 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 22 Q 6.86 4.73 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 23 L 8.47 5.20 0.00 1.91 1.70 0.65 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.01 5.66 0.00 3.97 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 25 K 8.79 4.11 0.00 1.56 1.77 0.00 1.98 0.00 0.00 1.54 0.00 0.00 2.69 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.46 7.81 26 E 8.12 4.39 0.00 2.11 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 0.00 2.28 2.24 0.00 27 E 7.94 4.63 0.00 2.20 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 2.31 2.32 0.00 28 L 7.99 4.52 0.00 2.00 1.92 1.11 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.94 3.89 0.00 1.87 1.76 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.54 7.81 30 L 7.78 3.82 0.00 1.07 1.00 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.82 3.93 0.00 2.06 1.89 1.37 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.15 4.03 0.00 1.85 2.04 1.11 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 7.72 3.98 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 34 T 7.60 3.99 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 35 E 7.77 3.86 0.00 1.29 1.12 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 2.10 2.16 0.00 36 F 8.01 4.86 0.00 3.04 2.97 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 37 P 0.00 4.26 0.00 2.20 2.15 0.00 3.64 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 38 S 8.01 5.13 0.00 4.01 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 39 L 8.26 4.19 0.00 2.17 1.87 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.15 4.58 0.00 1.69 1.75 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.27 4.48 0.00 1.80 1.22 0.00 1.78 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.58 1.37 7.81 42 G 9.22 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.59 3.08 0.00 2.40 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 44 S 8.48 3.99 0.00 4.09 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 45 T 7.31 4.17 4.29 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 1.29 0.00 0.00 46 L 9.90 3.92 0.00 1.79 1.84 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.68 4.86 0.00 2.84 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 48 E 7.92 4.30 0.00 2.35 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 2.36 2.28 0.00 49 L 7.78 4.20 0.00 1.65 1.80 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.33 4.27 0.00 3.28 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 51 E 8.24 4.89 0.00 2.18 1.97 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 2.42 2.34 0.00 52 E 7.96 3.93 0.00 2.26 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 0.00 2.29 2.34 0.00 53 L 7.19 4.30 0.00 1.58 1.62 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.64 4.97 0.00 2.46 2.28 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 55 K 8.21 4.60 0.00 1.86 1.81 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.41 7.81 56 N 8.16 4.80 0.00 2.77 2.76 0.00 0.00 7.05 8.17 0.00 0.00 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 G 7.55 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.73 4.68 0.00 2.81 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 59 G 9.04 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.13 5.37 0.00 2.05 1.93 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 2.28 2.60 0.00 61 V 8.72 4.41 2.28 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 1.24 0.00 0.00 0.70 0.00 0.00 62 S 8.66 5.25 0.00 4.14 4.14 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 63 F 9.36 3.82 0.00 2.87 3.10 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 64 E 7.93 4.06 0.00 2.05 1.97 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 2.33 2.37 0.00 65 E 7.94 4.42 0.00 1.98 1.87 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 2.34 2.23 0.00 66 F 7.87 4.54 0.00 3.21 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.38 3.62 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.75 5.56 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 68 V 7.53 3.43 1.95 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 0.62 0.00 0.00 0.88 0.00 0.00 69 L 6.88 4.15 0.00 0.95 0.49 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.21 3.41 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 0.25 0.00 0.00 0.73 0.00 0.00 71 K 7.67 4.37 0.00 1.64 1.74 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.39 7.81 72 K 8.10 4.50 0.00 1.76 1.80 0.00 1.47 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.35 7.81 73 I 7.49 4.65 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.97 1.20 0.00 0.00 74 S 7.93 3.63 0.00 3.98 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 75 Q 8.38 3.70 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.17 5.97 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00