NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4480 8.1627 118.3264 55.2909 33.4146 173.4081 2 Q 5.3532 8.5190 120.9642 52.0588 31.2776 172.6961 3 I 4.6197 8.7224 119.1118 58.9901 42.3466 173.3743 4 F 4.9741 9.1767 121.9423 55.9980 41.1802 175.2237 5 V 4.6215 9.0929 125.7874 61.4719 32.7259 174.1440 6 K 5.9195 9.2957 128.8129 54.0462 34.2912 176.8960 7 T 5.2495 8.4667 115.1964 60.9371 69.6459 174.2763 8 L 4.0442 8.4663 123.2506 57.4587 42.2281 178.0256 9 T 4.0624 8.4653 108.3618 62.9009 69.3768 175.1307 10 G 4.5841 6.8907 127.0700 44.8669 0.0000 170.8723 11 K 4.2895 7.0639 124.2388 55.7324 35.6977 173.4337 12 T 5.0915 8.7638 122.7401 62.1391 71.3493 173.0885 13 I 4.6719 8.9772 128.4637 59.6724 39.9520 175.1180 14 T 5.0798 8.2883 114.9351 58.9141 71.1207 172.9269 15 L 4.8082 8.1842 124.1520 53.0620 47.1427 174.6671 16 E 4.8046 8.6108 119.8208 55.5372 30.1888 176.4030 17 V 4.6627 8.9963 118.0417 59.5382 35.5303 175.2898 18 E 4.5669 9.2163 122.7879 54.4127 31.3292 175.8250 19 P 4.1823 0.0000 0.0000 65.6872 31.4065 177.7688 20 S 4.6447 7.8171 110.9338 57.7678 63.3169 173.5228 21 D 4.5362 8.0237 121.3665 54.7772 41.7662 175.0336 22 T 4.9814 7.9524 112.8727 60.0015 72.4277 175.5422 23 I 3.6685 8.3836 123.9814 64.6603 37.2743 178.5181 24 E 3.9398 8.1179 119.7416 59.2997 29.4825 178.4479 25 N 4.3485 8.0126 116.7025 56.3785 39.0644 176.8656 26 V 3.5722 7.9192 119.9840 66.0430 31.6730 178.2373 27 K 4.7311 8.2999 119.1298 58.9018 31.7996 179.2471 28 A 4.0142 7.8435 120.8761 55.0446 18.0960 179.8809 29 K 3.9613 8.2093 117.0800 59.6819 32.0952 179.7438 30 I 3.8403 7.8193 120.1135 64.1982 36.9279 178.2791 31 Q 4.2435 7.8897 121.9785 58.5746 28.6675 177.7000 32 D 4.4732 7.7964 118.4687 56.7894 40.8039 176.5442 33 K 4.2165 7.6685 118.6166 58.1465 32.3457 177.0927 34 E 4.0384 8.7563 119.7324 56.7978 29.7344 178.6758 35 G 4.6134 7.3639 106.5617 46.5819 0.0000 173.5880 36 I 3.9586 7.1437 121.7186 59.7113 37.7091 173.9404 37 P 4.2783 0.0000 0.0000 61.9972 31.9370 175.6336 38 P 4.2958 0.0000 0.0000 65.5740 31.4533 177.9671 39 D 4.4090 8.1045 116.1906 56.4074 41.5103 176.1936 40 Q 4.5205 8.3711 116.8580 55.7965 30.5775 175.0473 41 Q 4.6555 7.8720 120.0182 54.9107 30.2589 175.0314 42 R 4.5723 8.6489 124.5660 54.3026 32.5059 175.4160 43 L 4.7440 8.4373 125.1670 54.1047 43.1911 175.9534 44 I 4.9157 9.1604 125.3509 59.4139 40.4748 174.6355 45 F 5.0526 9.3516 128.4204 56.5829 42.4489 174.4196 46 A 3.5358 9.4167 130.7005 53.1993 15.8308 177.6635 47 G 3.9197 8.3467 106.6629 46.3384 0.0000 173.7770 48 K 4.5555 7.8458 121.5239 54.2478 34.3084 174.7297 49 Q 4.6888 8.4324 126.5999 55.7425 30.1774 174.8703 50 L 3.9787 8.4212 126.2808 53.4960 42.5687 176.4577 51 E 4.0424 9.9723 126.7111 56.5051 30.2722 177.6124 52 D 4.3347 9.2607 127.0480 57.1548 41.1324 177.9485 53 G 3.9572 8.2042 105.1703 45.4264 0.0000 173.3797 54 R 4.4727 8.0798 120.4713 54.8732 32.1360 175.3026 55 T 5.0336 7.7893 108.4364 59.9574 71.3089 175.7221 56 L 4.0123 8.7446 123.3735 58.1667 41.7205 180.1758 57 S 4.1576 7.9549 112.9421 60.8080 62.7180 175.6496 58 D 4.3611 7.7029 120.9423 56.4253 41.0093 176.5145 59 Y 4.4826 7.5974 114.3905 56.7570 38.4041 174.6423 60 N 4.1864 7.7232 116.7620 54.5794 37.8670 173.9475 61 I 3.8998 7.9274 118.3643 60.1877 37.1605 175.6079 62 Q 4.6612 7.7699 126.3117 53.6503 31.1631 175.5935 63 K 4.0611 8.3178 117.3675 58.5570 33.1190 176.1452 64 E 3.9034 8.6682 119.2874 57.8117 27.5933 174.4228 65 S 4.8733 7.9032 113.7829 57.7769 65.2200 173.2736 66 T 5.2127 8.5990 120.0716 62.1751 69.8992 173.9722 67 L 4.9784 9.3652 126.4068 53.3054 45.4461 175.1575 68 H 5.5252 9.1177 118.7177 54.5939 31.1003 173.9342 69 L 5.1602 9.0591 124.2957 53.2593 45.0063 175.0864 70 V 4.6103 8.7633 126.0908 60.9953 34.5547 174.2216 71 L 4.6837 8.4879 127.5997 54.0842 42.3190 176.8971 72 R 4.2955 8.6619 126.5609 55.2104 29.3437 175.6511 73 L 4.5609 8.0685 125.2272 52.7700 43.6182 176.4092 74 R 3.9785 8.3339 120.5675 57.2587 30.3150 177.4766 75 G 3.8566 8.8397 112.0407 44.6036 0.0000 173.3018 76 G 4.0306 7.4450 111.7259 45.7969 0.0000 173.3300 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 8.16 4.45 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.74 0.00 2 Q 8.52 5.35 0.00 2.09 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 1.90 2.18 0.00 3 I 8.72 4.62 1.88 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 1.24 0.70 0.82 0.00 0.00 4 F 9.18 4.97 0.00 2.94 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 5 V 9.09 4.62 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 0.83 0.00 0.00 0.92 0.00 0.00 6 K 9.30 5.92 0.00 1.74 1.74 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.26 7.81 7 T 8.47 5.25 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 1.25 0.00 0.00 8 L 8.47 4.04 0.00 1.52 1.67 0.78 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.47 4.06 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 1.20 0.00 0.00 10 G 6.89 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.06 4.29 0.00 1.80 1.61 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.34 7.81 12 T 8.76 5.09 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 1.34 0.00 0.00 13 I 8.98 4.67 1.88 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 1.30 0.82 0.96 0.00 0.00 14 T 8.29 5.08 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 1.22 0.00 0.00 15 L 8.18 4.81 0.00 1.55 1.50 0.90 0.93 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 16 E 8.61 4.80 0.00 1.81 1.85 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 2.21 2.24 0.00 17 V 9.00 4.66 2.04 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 0.60 0.00 0.00 0.91 0.00 0.00 18 E 9.22 4.57 0.00 1.89 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 19 P 0.00 4.18 0.00 2.20 2.30 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 20 S 7.82 4.64 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 21 D 8.02 4.54 0.00 2.96 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 22 T 7.95 4.98 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 1.27 0.00 0.00 23 I 8.38 3.67 2.05 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 1.70 1.41 0.95 0.00 0.00 24 E 8.12 3.94 0.00 2.30 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 0.00 2.31 2.36 0.00 25 N 8.01 4.35 0.00 2.87 3.00 0.00 0.00 7.33 7.70 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 26 V 7.92 3.57 2.24 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 1.03 0.00 0.00 1.01 0.00 0.00 27 K 8.30 4.73 0.00 2.03 1.84 0.00 1.93 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.52 7.81 28 A 7.84 4.01 1.41 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 29 K 8.21 3.96 0.00 1.98 1.85 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.65 7.81 30 I 7.82 3.84 2.15 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 0.83 0.91 0.00 0.00 31 Q 7.89 4.24 0.00 2.32 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 32 D 7.80 4.47 0.00 2.86 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 33 K 7.67 4.22 0.00 1.89 1.76 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.50 7.81 34 E 8.76 4.04 0.00 2.02 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 2.47 0.00 35 G 7.36 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.14 3.96 1.87 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 1.30 1.28 0.91 0.00 0.00 37 P 0.00 4.28 0.00 2.17 1.98 0.00 3.61 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.30 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 39 D 8.10 4.41 0.00 2.62 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 40 Q 8.37 4.52 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.65 0.00 0.00 0.00 0.00 0.00 2.52 2.31 0.00 41 Q 7.87 4.66 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 42 R 8.65 4.57 0.00 1.88 1.84 0.00 3.41 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 43 L 8.44 4.74 0.00 1.52 1.52 0.91 0.72 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 44 I 9.16 4.92 1.95 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 1.43 1.13 0.93 0.00 0.00 45 F 9.35 5.05 0.00 2.83 2.74 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 46 A 9.42 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.35 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.85 4.56 0.00 1.77 1.83 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.39 7.81 49 Q 8.43 4.69 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.69 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 50 L 8.42 3.98 0.00 1.49 1.41 0.29 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.97 4.04 0.00 2.21 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 0.00 2.36 2.50 0.00 52 D 9.26 4.33 0.00 2.77 2.91 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 53 G 8.20 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 0.00 0.00 0.00 54 R 8.08 4.47 0.00 2.27 1.83 0.00 3.00 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 55 T 7.79 5.03 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 1.26 0.00 0.00 56 L 8.74 4.01 0.00 1.87 1.73 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.95 4.16 0.00 4.06 4.18 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 58 D 7.70 4.36 0.00 2.57 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 4.48 0.00 3.04 2.78 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 60 N 7.72 4.19 0.00 2.92 3.02 0.00 0.00 7.22 8.39 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 61 I 7.93 3.90 1.88 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.54 0.76 0.00 0.00 62 Q 7.77 4.66 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 63 K 8.32 4.06 0.00 1.84 1.79 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 64 E 8.67 3.90 0.00 2.22 2.34 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 2.39 2.43 0.00 65 S 7.90 4.87 0.00 3.79 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 66 T 8.60 5.21 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 1.28 0.00 0.00 67 L 9.37 4.98 0.00 1.54 1.55 0.82 0.86 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 68 H 9.12 5.53 0.00 3.21 3.19 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.06 5.16 0.00 1.70 1.50 0.96 0.76 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 70 V 8.76 4.61 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 1.00 0.00 0.00 0.89 0.00 0.00 71 L 8.49 4.68 0.00 1.56 1.61 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.66 4.30 0.00 1.83 1.87 0.00 3.41 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 73 L 8.07 4.56 0.00 1.71 1.55 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.33 3.98 0.00 1.80 1.88 0.00 3.40 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 75 G 8.84 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 76 G 7.45 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00