NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5162 8.1627 118.3264 55.5400 33.6714 173.1742 2 Q 4.8033 8.0144 118.0769 52.9285 32.7552 171.6885 3 I 4.3542 9.3924 119.4677 59.0915 42.4850 173.0622 4 F 5.4874 8.5786 120.5456 55.6851 41.9283 175.0182 5 V 4.7780 9.2375 123.0734 60.9265 34.2077 173.9599 6 K 5.0806 8.9040 129.5186 54.6212 34.6222 176.0867 7 T 4.6893 8.4693 118.2244 61.0790 69.7817 174.6334 8 L 4.2126 8.3796 121.4632 57.6911 42.0016 178.6721 9 T 3.9548 8.1902 108.0977 64.8300 68.4808 173.4128 10 G 3.4291 7.7319 114.6495 45.0544 0.0000 173.7871 11 K 3.7662 7.4489 122.0825 57.4994 32.7983 175.9590 12 T 5.1449 8.5216 123.2481 62.2076 71.2412 174.0846 13 I 4.7103 8.4955 123.8434 60.1483 41.5651 174.3490 14 T 5.0271 8.6963 123.1965 62.3766 70.0584 174.1034 15 L 4.7913 8.9692 125.5327 52.8440 45.4239 174.9505 16 E 4.8008 8.7121 123.7848 55.0013 30.6054 175.2193 17 V 4.7195 8.8381 119.5651 59.9059 36.4009 174.4471 18 E 4.7794 9.0037 120.7950 54.0128 32.3308 176.0667 19 P 4.3407 0.0000 0.0000 64.6917 31.6273 178.4536 20 S 4.3546 7.8334 111.7726 59.6815 63.9565 174.4789 21 D 4.3917 7.9470 122.9351 54.5214 41.1523 176.4126 22 T 4.7272 8.2242 114.1049 61.0885 71.4939 175.9036 23 I 3.8056 8.4007 121.8522 64.1217 36.8892 178.8528 24 E 3.9739 8.1031 119.5117 59.3982 29.3928 178.3822 25 N 4.2479 7.9068 116.3177 56.5601 38.6484 177.6192 26 V 3.5574 7.6292 118.7475 65.9901 31.7657 178.1642 27 K 4.3529 8.3856 119.3046 58.8412 31.9383 179.1486 28 A 4.0053 8.1972 121.0454 55.1667 18.3914 179.9001 29 K 3.9955 7.8363 116.5776 59.4210 31.9412 179.6833 30 I 3.8309 7.6490 120.2871 64.1213 37.0880 177.9816 31 Q 4.2975 8.1171 121.7434 58.5939 28.5081 178.3162 32 D 4.3131 7.6762 118.9610 57.3997 41.1472 178.6422 33 K 4.2900 7.8345 116.7591 58.3689 31.9414 178.0849 34 E 4.5529 8.3497 116.4284 55.5098 32.3577 175.7394 35 G 4.0418 8.2375 106.0493 46.2635 0.0000 173.6033 36 I 4.2094 7.1288 118.9626 58.9823 38.3325 173.7829 37 P 4.3961 0.0000 0.0000 61.8109 31.5296 175.6815 38 P 4.1791 0.0000 0.0000 64.4587 31.3877 176.8499 39 D 4.5638 7.9189 116.7692 54.7790 40.1189 177.2096 40 Q 4.2685 8.7776 119.5535 56.9504 29.5574 175.1730 41 Q 4.6764 7.7282 118.1223 55.2943 30.4506 175.0391 42 R 4.7299 9.1242 123.0138 54.4560 33.2444 174.5598 43 L 4.9906 8.4549 124.3009 53.6206 43.9947 175.8707 44 I 5.0214 8.6852 122.9014 59.4963 41.2757 174.1047 45 F 5.0117 9.4287 128.5535 56.6625 42.1259 174.7793 46 A 3.3797 9.0663 130.1489 53.0831 15.6385 177.4201 47 G 3.9168 7.8621 107.3055 45.2813 0.0000 172.7972 48 K 4.4789 7.9036 121.9167 54.5193 33.7967 174.5840 49 Q 4.6529 8.4266 127.0582 55.4842 29.9703 174.9874 50 L 3.8451 8.5149 127.5514 54.4093 42.1110 176.2066 51 E 4.4524 9.5693 126.1924 55.0508 31.1452 175.6366 52 D 4.4623 8.6667 126.4435 56.0160 41.4260 176.9432 53 G 3.9756 8.7239 111.1740 45.1613 0.0000 173.4733 54 R 4.5819 7.5579 117.4051 54.6726 32.7507 175.2632 55 T 4.9953 8.2788 109.6184 59.8562 71.3059 175.8359 56 L 4.0159 8.4473 122.0219 58.1522 41.5235 180.1440 57 S 4.0934 7.9819 113.6245 61.5985 62.5420 176.1563 58 D 4.5379 7.7516 120.8240 56.3045 40.5407 177.1232 59 Y 4.5322 7.7320 114.8244 56.2546 39.1870 174.6723 60 N 4.1225 8.3637 117.8471 54.4396 38.0030 174.1010 61 I 3.7554 7.6698 117.2814 60.2269 38.0297 175.6347 62 Q 4.6614 8.1132 124.1558 52.9027 31.7387 174.9361 63 K 4.0733 8.2952 117.6357 58.8803 32.5346 176.8710 64 E 3.3027 9.1374 119.8261 56.7163 27.8960 174.8950 65 S 4.5788 7.7605 115.7580 58.9988 64.4177 173.1867 66 T 5.1719 8.6742 117.8432 62.0996 70.6007 173.7428 67 L 5.0601 8.9398 126.4970 53.6001 44.8016 175.1709 68 H 5.2853 9.1228 118.6679 54.1457 31.6637 173.3731 69 L 4.9873 8.6443 124.8044 53.6785 43.1021 175.7851 70 V 4.5257 8.7861 126.3425 61.0639 34.9526 175.7056 71 L 5.4161 8.1047 122.2499 54.0907 42.4000 176.6727 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 4.52 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 2 Q 8.01 4.80 0.00 2.33 1.81 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 1.99 2.33 0.00 3 I 9.39 4.35 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.91 0.73 0.00 0.00 4 F 8.58 5.49 0.00 2.99 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 9.24 4.78 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 0.95 0.00 0.00 0.93 0.00 0.00 6 K 8.90 5.08 0.00 1.70 1.45 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.31 7.81 7 T 8.47 4.69 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 1.29 0.00 0.00 8 L 8.38 4.21 0.00 1.67 1.77 0.92 0.83 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 8.19 3.95 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 10 G 7.73 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 3.77 0.00 1.88 1.76 0.00 1.61 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.47 7.81 12 T 8.52 5.14 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 1.21 0.00 0.00 13 I 8.50 4.71 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 0.93 0.00 0.00 14 T 8.70 5.03 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 1.32 0.00 0.00 15 L 8.97 4.79 0.00 1.51 1.46 0.92 0.63 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 16 E 8.71 4.80 0.00 1.92 1.82 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 2.19 2.43 0.00 17 V 8.84 4.72 2.12 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 0.69 0.00 0.00 0.84 0.00 0.00 18 E 9.00 4.78 0.00 1.84 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 4.34 0.00 2.15 2.06 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 20 S 7.83 4.35 0.00 3.96 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 7.95 4.39 0.00 2.81 2.62 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 22 T 8.22 4.73 4.44 0.00 0.00 0.00 0.00 0.00 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 8.40 3.81 1.90 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 1.86 1.34 0.89 0.00 0.00 24 E 8.10 3.97 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 25 N 7.91 4.25 0.00 2.99 2.88 0.00 0.00 6.71 9.03 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 26 V 7.63 3.56 2.19 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 1.00 0.00 0.00 0.92 0.00 0.00 27 K 8.39 4.35 0.00 1.98 1.85 0.00 1.73 0.00 0.00 1.94 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.51 7.81 28 A 8.20 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 4.00 0.00 1.91 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.81 7.81 30 I 7.65 3.83 2.14 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 1.41 0.87 0.91 0.00 0.00 31 Q 8.12 4.30 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 32 D 7.68 4.31 0.00 2.92 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 33 K 7.83 4.29 0.00 1.76 1.87 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.69 7.81 34 E 8.35 4.55 0.00 2.03 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 2.23 2.40 0.00 35 G 8.24 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 36 I 7.13 4.21 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 1.30 0.80 0.96 0.00 0.00 37 P 0.00 4.40 0.00 2.40 1.98 0.00 3.85 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 2.10 0.00 38 P 0.00 4.18 0.00 2.04 2.11 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 39 D 7.92 4.56 0.00 2.78 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 8.78 4.27 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 41 Q 7.73 4.68 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 42 R 9.12 4.73 0.00 1.66 1.81 0.00 3.43 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 43 L 8.45 4.99 0.00 1.55 1.53 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.69 5.02 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 1.11 0.87 0.92 0.00 0.00 45 F 9.43 5.01 0.00 2.90 2.76 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 46 A 9.07 3.38 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 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 7.90 4.48 0.00 1.80 1.79 0.00 1.78 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.42 7.81 49 Q 8.43 4.65 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 50 L 8.51 3.85 0.00 1.41 1.29 0.66 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.57 4.45 0.00 2.11 2.00 0.00 0.00 0.00 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 2.34 0.00 52 D 8.67 4.46 0.00 2.73 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 53 G 8.72 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 0.00 0.00 0.00 54 R 7.56 4.58 0.00 2.10 1.93 0.00 2.99 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 55 T 8.28 5.00 4.46 0.00 0.00 0.00 0.00 0.00 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 56 L 8.45 4.02 0.00 1.84 1.68 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.98 4.09 0.00 4.07 4.11 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 0.00 0.00 0.00 58 D 7.75 4.54 0.00 2.69 2.41 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 59 Y 7.73 4.53 0.00 3.03 2.95 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 0.00 0.00 0.00 60 N 8.36 4.12 0.00 2.83 2.97 0.00 0.00 7.12 7.90 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 61 I 7.67 3.76 1.61 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.15 0.50 0.00 0.00 62 Q 8.11 4.66 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 63 K 8.30 4.07 0.00 1.79 1.78 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.46 7.81 64 E 9.14 3.30 0.00 2.17 2.36 0.00 0.00 0.00 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 2.25 0.00 65 S 7.76 4.58 0.00 3.78 3.87 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 0.00 0.00 0.00 66 T 8.67 5.17 4.36 0.00 0.00 0.00 0.00 0.00 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 67 L 8.94 5.06 0.00 1.60 1.69 0.85 0.86 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 68 H 9.12 5.29 0.00 3.13 3.21 0.00 5.78 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 8.64 4.99 0.00 1.62 1.58 0.97 0.89 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 70 V 8.79 4.53 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 1.00 0.00 0.00 0.94 0.00 0.00 71 L 8.10 5.42 0.00 1.60 1.49 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00