NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5606 8.1476 118.3244 55.3520 33.6517 173.3992 2 Q 5.4515 8.4503 116.9575 52.0090 31.2195 172.9666 3 I 4.5116 8.5782 115.3617 59.0834 42.4167 174.7729 4 F 5.5316 8.7740 120.1597 55.6732 42.8774 174.8114 5 V 4.8189 8.7105 120.6392 61.0133 34.6015 174.3869 6 K 4.6030 8.9801 130.7059 56.1922 32.6994 175.8246 7 T 4.6769 8.2465 123.0964 61.2144 70.6871 174.4758 8 L 4.2131 8.5700 119.1726 57.2510 42.0459 177.4739 9 T 4.4550 8.7637 105.2930 60.9055 69.5537 173.1685 10 G 3.4133 8.0052 114.1054 45.6840 0.0000 174.3593 11 K 4.4051 7.8374 120.3635 56.3162 33.8307 175.9406 12 T 5.2371 8.3732 118.1557 61.8265 71.4275 173.5651 13 I 4.6719 8.7345 118.4268 59.5093 41.1629 174.1874 14 T 5.1038 8.5006 119.1865 61.9094 70.7179 173.6667 15 L 4.7441 8.7904 126.3131 52.8409 44.9920 174.9339 16 E 4.8979 8.6112 123.4806 55.0398 30.6078 175.2940 17 V 4.7206 8.8591 119.5632 60.0424 36.3776 174.2610 18 E 4.7046 8.7293 120.7085 53.9170 32.1816 175.8404 19 P 4.1609 0.0000 0.0000 65.6767 31.5104 178.4339 20 S 4.3636 7.9081 110.1364 58.9758 63.7957 174.1279 21 D 4.3731 8.1083 123.5814 54.9174 41.2142 176.5087 22 T 4.6355 8.3012 114.2420 61.3770 71.0835 175.6860 23 I 3.7463 8.5042 123.1661 64.4953 36.9862 178.6225 24 E 3.9614 8.2015 119.0088 59.5155 29.3691 178.8163 25 N 4.2767 8.2322 116.3406 56.4188 38.6206 177.5724 26 V 3.5629 7.8022 119.2937 66.0442 31.5655 178.1518 27 K 4.2551 8.6597 119.6688 58.8572 31.7802 179.1605 28 A 3.9855 8.2542 121.1765 55.1684 18.0854 179.8886 29 K 4.0932 8.1759 116.9869 59.5637 31.9953 179.7399 30 I 3.7958 7.9674 120.3128 64.3436 36.6227 178.1894 31 Q 4.0503 8.4087 120.7589 59.3266 28.6390 177.8427 32 D 4.3896 8.0850 119.0642 57.2768 40.9169 178.4857 33 K 4.2678 7.5704 115.8443 57.9141 32.7737 178.0105 34 E 4.5919 8.4756 116.6365 54.8571 30.8965 176.6215 35 G 3.8784 8.0223 106.4572 46.3919 0.0000 173.1369 36 I 4.3579 7.5990 120.1044 58.2721 38.6820 174.2321 37 P 4.6637 0.0000 0.0000 61.2442 32.2873 175.5038 38 P 4.2145 0.0000 0.0000 65.9018 31.3259 177.9407 39 D 4.6134 8.0592 114.7479 54.8305 39.5681 176.5459 40 Q 4.3914 7.9460 118.3820 56.8336 30.0545 175.9636 41 Q 4.3634 7.7281 117.4359 55.5593 30.2212 175.4218 42 R 4.7103 8.9375 121.6553 54.2970 34.0773 174.3269 43 L 5.1057 8.5303 122.6646 53.0489 44.8006 175.1398 44 I 4.9750 8.6924 125.1476 59.5312 39.8527 174.6975 45 F 4.9455 9.0321 128.4486 57.0626 42.9846 174.2337 46 A 3.4626 8.9724 128.4145 53.0177 15.9229 177.9761 47 G 3.9256 8.2946 107.1947 46.7104 0.0000 174.3849 48 K 4.4039 7.8837 120.4772 54.8772 33.4280 175.2371 49 Q 4.6491 8.4878 125.1608 55.3447 29.6270 175.3103 50 L 3.8847 8.6871 127.8627 54.7029 42.6950 176.2935 51 E 4.8098 9.3533 122.8668 54.1940 32.2768 175.5746 52 D 4.6550 8.8093 123.4635 56.4364 41.4265 176.5025 53 G 4.0379 9.8446 111.4689 45.2782 0.0000 174.0082 54 R 4.5649 7.7379 117.9111 54.9960 31.7756 175.3100 55 T 5.1181 8.4943 109.7140 59.6565 71.4714 175.6138 56 L 3.9802 8.5713 122.1671 58.0354 41.4695 180.0979 57 S 4.1615 8.3478 114.3102 61.6031 62.5904 176.2632 58 D 4.2908 7.6842 121.1270 56.7957 40.5747 177.3905 59 Y 4.5159 7.2276 113.8332 56.6053 38.5156 174.7688 60 N 4.1381 8.0218 117.4201 54.4303 38.0489 174.1865 61 I 3.7235 7.7420 117.8351 60.5175 37.7252 176.1602 62 Q 4.5410 8.1818 124.4348 53.0732 31.1647 174.9135 63 K 4.0041 8.2938 117.8338 59.0086 32.4291 176.8610 64 E 3.7730 9.0998 120.4006 56.7141 27.9197 174.8895 65 S 4.5402 7.6940 115.4048 59.1717 64.2481 173.2171 66 T 5.1266 8.6444 118.3835 61.9737 70.7168 173.7425 67 L 4.7634 9.1201 126.7845 54.0591 44.1026 175.4626 68 H 4.9902 9.0882 120.4453 54.0764 30.5906 173.5592 69 L 4.7950 8.4620 127.0181 54.5828 42.7513 176.4005 70 V 4.5597 8.9075 118.5581 59.7394 36.1530 174.8937 71 L 5.0521 8.4063 123.1865 54.5623 41.9604 176.2467 72 R 4.6373 8.3699 122.3422 55.5062 33.6780 175.2837 73 L 4.5310 8.2104 121.9788 52.9041 41.3584 175.3803 74 R 4.1786 8.2348 122.0143 55.6524 30.8819 176.6712 75 G 4.2088 8.3759 110.2082 44.1924 0.0000 172.7607 76 G 3.7273 8.5569 108.5867 45.3942 0.0000 173.7475 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 1 M 8.15 4.56 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 2 Q 8.45 5.45 0.00 1.87 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.16 1.92 0.00 3 I 8.58 4.51 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.14 0.73 0.00 0.00 4 F 8.77 5.53 0.00 2.98 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 5 V 8.71 4.82 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 1.06 0.00 0.00 0.93 0.00 0.00 6 K 8.98 4.60 0.00 1.91 1.70 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.46 7.81 7 T 8.25 4.68 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 1.23 0.00 0.00 8 L 8.57 4.21 0.00 1.66 1.77 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.76 4.45 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 10 G 8.01 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.84 4.41 0.00 1.73 1.73 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.47 7.81 12 T 8.37 5.24 4.17 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 0.00 0.00 0.00 1.24 0.00 0.00 13 I 8.73 4.67 1.91 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 1.40 0.76 1.00 0.00 0.00 14 T 8.50 5.10 4.32 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 1.17 0.00 0.00 15 L 8.79 4.74 0.00 1.45 1.47 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.61 4.90 0.00 1.91 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 2.19 2.34 0.00 17 V 8.86 4.72 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 0.71 0.00 0.00 0.90 0.00 0.00 18 E 8.73 4.70 0.00 2.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 19 P 0.00 4.16 0.00 2.15 2.09 0.00 3.56 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 2.09 2.06 0.00 20 S 7.91 4.36 0.00 3.97 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 21 D 8.11 4.37 0.00 2.92 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 22 T 8.30 4.64 4.42 0.00 0.00 0.00 0.00 0.00 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 I 8.50 3.75 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.18 0.96 0.00 0.00 24 E 8.20 3.96 0.00 2.06 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 2.41 2.62 0.00 25 N 8.23 4.28 0.00 2.97 2.86 0.00 0.00 6.70 7.29 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 26 V 7.80 3.56 2.20 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 0.99 0.00 0.00 0.92 0.00 0.00 27 K 8.66 4.26 0.00 1.97 1.84 0.00 1.74 0.00 0.00 1.91 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.45 7.81 28 A 8.25 3.99 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.18 4.09 0.00 1.97 1.85 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.59 7.81 30 I 7.97 3.80 2.13 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 1.40 0.82 0.91 0.00 0.00 31 Q 8.41 4.05 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 32 D 8.09 4.39 0.00 2.90 2.73 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 33 K 7.57 4.27 0.00 1.77 1.86 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.46 7.81 34 E 8.48 4.59 0.00 1.98 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 2.36 2.44 0.00 35 G 8.02 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 0.00 0.00 0.00 36 I 7.60 4.36 1.87 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 1.42 0.83 0.91 0.00 0.00 37 P 0.00 4.66 0.00 2.35 1.97 0.00 3.90 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 2.11 2.07 0.00 38 P 0.00 4.21 0.00 2.17 2.12 0.00 3.59 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 2.12 2.10 0.00 39 D 8.06 4.61 0.00 2.77 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 40 Q 7.95 4.39 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 41 Q 7.73 4.36 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 42 R 8.94 4.71 0.00 1.84 1.89 0.00 3.31 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.53 5.11 0.00 1.51 1.52 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.69 4.97 1.91 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 1.27 1.09 0.94 0.00 0.00 45 F 9.03 4.95 0.00 3.04 2.77 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 46 A 8.97 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.29 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 48 K 7.88 4.40 0.00 1.93 1.80 0.00 1.84 0.00 0.00 1.93 0.00 0.00 3.13 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.41 7.81 49 Q 8.49 4.65 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 50 L 8.69 3.88 0.00 1.41 1.30 0.72 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.35 4.81 0.00 2.03 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 2.28 2.53 0.00 52 D 8.81 4.65 0.00 2.68 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 53 G 9.84 4.04 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 0.00 0.00 0.00 54 R 7.74 4.56 0.00 2.23 1.73 0.00 3.05 0.00 0.00 2.82 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 55 T 8.49 5.12 4.47 0.00 0.00 0.00 0.00 0.00 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 56 L 8.57 3.98 0.00 1.88 1.72 0.85 0.67 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 57 S 8.35 4.16 0.00 4.03 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 4.29 0.00 2.59 2.38 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 59 Y 7.23 4.52 0.00 3.14 3.06 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 60 N 8.02 4.14 0.00 2.90 2.96 0.00 0.00 7.14 7.22 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 61 I 7.74 3.72 1.80 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.48 0.49 0.00 0.00 62 Q 8.18 4.54 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.02 0.00 0.00 0.00 0.00 0.00 2.55 2.28 0.00 63 K 8.29 4.00 0.00 1.80 1.79 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.49 7.81 64 E 9.10 3.77 0.00 2.20 2.42 0.00 0.00 0.00 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 2.26 0.00 65 S 7.69 4.54 0.00 3.59 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.64 5.13 4.33 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 1.21 0.00 0.00 67 L 9.12 4.76 0.00 1.53 1.57 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.09 4.99 0.00 3.08 3.25 0.00 5.61 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.46 4.79 0.00 1.67 1.74 0.98 0.96 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 70 V 8.91 4.56 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 0.71 0.00 0.00 1.00 0.00 0.00 71 L 8.41 5.05 0.00 1.62 1.47 0.92 0.87 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 72 R 8.37 4.64 0.00 1.74 1.77 0.00 3.17 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 73 L 8.21 4.53 0.00 1.61 1.61 0.92 0.94 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 74 R 8.23 4.18 0.00 1.80 1.87 0.00 3.20 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 75 G 8.38 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.56 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