NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4723 8.1633 118.3260 55.2715 33.4026 173.8066 2 Q 4.7601 8.2714 118.8506 53.0065 30.9814 173.2182 3 I 4.7781 9.0182 116.6150 59.0730 42.3172 173.5486 4 F 5.3784 9.0856 120.7011 55.6580 42.7351 174.5234 5 V 4.8993 9.1877 122.5704 61.1693 34.2175 174.2898 6 K 5.1299 8.9829 127.7540 55.2821 34.4923 176.0998 7 T 4.8467 8.7206 114.4368 59.8872 71.1775 175.7720 8 L 4.0853 8.6390 121.7086 57.4040 41.7116 178.3278 9 T 4.2088 7.9048 106.6990 61.5359 69.2748 175.3438 10 G 3.9074 8.2437 110.7651 45.2417 0.0000 173.1954 11 K 4.4478 8.0735 121.0700 55.5590 33.9508 175.5149 12 T 5.1256 8.4509 122.1533 61.8760 71.1642 173.3324 13 I 4.6130 9.1023 127.1783 59.8507 40.1709 174.5671 14 T 4.9150 8.5341 122.3866 61.9431 70.3208 173.9373 15 L 4.8018 8.5014 125.1253 52.8087 46.1185 174.9104 16 E 4.8467 8.6280 122.5891 54.9950 30.7032 175.2865 17 V 4.7531 8.9958 119.4563 59.9935 36.4584 174.2408 18 E 4.7708 9.6261 120.7047 53.9228 32.4774 176.1705 19 P 4.1828 0.0000 0.0000 65.3779 31.5742 178.1368 20 S 4.4788 7.8680 110.2046 58.5791 63.8839 174.1174 21 D 4.4931 8.1800 123.4154 54.5372 41.3797 175.9862 22 T 4.6978 8.1432 113.1802 61.0282 71.5327 176.0869 23 I 3.6880 8.3192 123.4680 64.5762 37.1452 178.4397 24 E 3.9455 8.1759 119.6837 59.3958 29.4590 178.5310 25 N 4.3562 8.1194 116.6049 56.1682 38.5830 177.5681 26 V 3.5650 7.8671 119.7173 65.9555 31.5530 178.1963 27 K 3.9454 8.4564 118.4142 59.4592 31.8779 179.1435 28 A 3.9810 8.0440 120.9915 55.0898 18.3797 179.8723 29 K 3.9593 8.0240 117.0784 59.6205 32.0600 179.6847 30 I 3.7307 7.7510 120.2130 64.2466 36.9031 178.1869 31 Q 4.0277 8.3351 120.6995 59.2913 28.6665 177.8636 32 D 4.3054 7.8962 117.8128 57.2960 41.3028 178.0398 33 K 4.1784 7.7522 117.5561 58.5042 32.3989 178.2233 34 E 4.6018 8.8752 116.2604 55.2575 30.9594 177.2654 35 G 3.8537 8.1992 106.8776 45.4545 0.0000 173.2271 36 I 4.0947 7.4402 120.5236 59.1981 37.6199 174.1255 37 P 4.3443 0.0000 0.0000 61.9600 32.0186 175.6519 38 P 4.2363 0.0000 0.0000 65.9390 31.3927 178.1215 39 D 4.4862 8.0662 115.9888 56.4620 41.1293 176.5839 40 Q 4.5268 8.3773 117.5967 55.7624 29.9621 174.9432 41 Q 5.0972 7.7402 118.3681 54.1395 31.2538 175.3274 42 R 4.6330 8.9449 121.7567 54.4067 33.7515 174.2467 43 L 5.1724 8.5340 123.6464 53.0971 44.2532 175.4199 44 I 5.0916 8.8366 124.2686 59.4773 40.9494 174.4165 45 F 4.9565 8.9756 127.6616 56.9659 42.8115 174.3852 46 A 3.4820 8.9942 128.8424 53.0755 15.9195 177.7208 47 G 3.9216 8.3547 106.3850 46.5956 0.0000 174.1678 48 K 4.5855 7.9326 119.8943 54.2118 34.4162 174.9972 49 Q 4.5510 8.5066 124.4973 55.8766 29.7175 175.0529 50 L 4.1454 8.6563 127.4038 54.1148 42.7148 176.3849 51 E 4.5611 8.5812 121.9587 55.3862 30.9174 177.5573 52 D 4.3702 8.9535 122.0910 56.7600 41.1460 177.5555 53 G 3.9351 8.0540 105.9073 45.3633 0.0000 173.2389 54 R 4.6187 7.7261 119.6702 54.4937 32.8189 175.0657 55 T 4.9856 8.1952 109.2910 59.7579 71.4087 175.7635 56 L 4.0466 8.4259 122.1072 58.0725 41.4848 180.1574 57 S 4.1635 8.1373 114.0814 61.5236 62.5725 176.2745 58 D 4.2798 7.7291 121.8587 56.5795 40.4491 177.2221 59 Y 4.5194 7.5193 114.8964 56.4184 38.4701 175.0631 60 N 4.1668 8.0490 115.8939 54.1388 36.9540 174.6626 61 I 3.6813 7.7116 117.9112 60.8971 38.0539 176.0526 62 Q 4.6182 8.2406 124.0589 53.0706 31.1953 175.0577 63 K 3.9404 8.3821 117.9942 58.9407 32.5166 176.3568 64 E 4.0625 8.9576 119.6609 57.5918 27.6107 174.8418 65 S 4.6521 7.8472 114.5133 58.8685 64.3696 173.2851 66 T 5.1832 8.7487 119.2294 62.0746 70.3464 173.8206 67 L 4.9884 9.4969 127.1566 53.5412 45.0227 174.9558 68 H 5.1248 9.1432 118.2734 54.0285 31.4696 173.0597 69 L 5.0675 8.6608 125.2095 53.3800 43.6915 175.6139 70 V 4.5612 8.9633 125.7851 61.0715 34.8064 173.8937 71 L 5.1488 8.5092 125.6973 52.9355 44.0981 176.3861 72 R 4.2509 8.3672 122.2834 56.4739 29.8422 175.1931 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 4.47 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.71 0.00 2 Q 8.27 4.76 0.00 1.91 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 3 I 9.02 4.78 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.66 0.80 0.00 0.00 4 F 9.09 5.38 0.00 2.99 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 5 V 9.19 4.90 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 1.09 0.00 0.00 0.93 0.00 0.00 6 K 8.98 5.13 0.00 1.69 1.70 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.36 7.81 7 T 8.72 4.85 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 8 L 8.64 4.09 0.00 1.66 1.79 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.90 4.21 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 8.24 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 0.00 0.00 0.00 11 K 8.07 4.45 0.00 1.88 1.68 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.42 7.81 12 T 8.45 5.13 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 13 I 9.10 4.61 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 1.25 0.83 0.92 0.00 0.00 14 T 8.53 4.92 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 1.03 0.00 0.00 15 L 8.50 4.80 0.00 1.45 1.44 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.63 4.85 0.00 1.91 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 2.17 2.27 0.00 17 V 9.00 4.75 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 0.68 0.00 0.00 0.90 0.00 0.00 18 E 9.63 4.77 0.00 1.78 1.78 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 2.18 2.37 0.00 19 P 0.00 4.18 0.00 2.15 2.08 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 2.09 2.06 0.00 20 S 7.87 4.48 0.00 3.96 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 21 D 8.18 4.49 0.00 2.83 2.61 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 22 T 8.14 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 1.21 0.00 0.00 23 I 8.32 3.69 2.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.06 0.90 0.00 0.00 24 E 8.18 3.95 0.00 2.15 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 2.38 2.41 0.00 25 N 8.12 4.36 0.00 3.06 2.84 0.00 0.00 6.63 7.84 0.00 0.00 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 7.87 3.57 2.22 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 1.00 0.00 0.00 0.96 0.00 0.00 27 K 8.46 3.95 0.00 1.98 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.60 7.81 28 A 8.04 3.98 1.38 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 0.00 0.00 29 K 8.02 3.96 0.00 2.00 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.67 7.81 30 I 7.75 3.73 2.04 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 1.40 0.94 0.94 0.00 0.00 31 Q 8.34 4.03 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 32 D 7.90 4.31 0.00 2.72 2.85 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 33 K 7.75 4.18 0.00 1.81 1.84 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.65 7.81 34 E 8.88 4.60 0.00 1.97 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 2.25 2.43 0.00 35 G 8.20 3.85 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 0.00 36 I 7.44 4.09 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 0.76 0.91 0.00 0.00 37 P 0.00 4.34 0.00 2.17 1.98 0.00 3.79 0.00 0.00 3.97 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 4.24 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 39 D 8.07 4.49 0.00 2.67 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 40 Q 8.38 4.53 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 41 Q 7.74 5.10 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 42 R 8.94 4.63 0.00 1.71 1.79 0.00 3.09 0.00 0.00 3.31 7.17 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 5.17 0.00 1.55 1.54 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.84 5.09 1.90 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 1.10 0.74 0.89 0.00 0.00 45 F 8.98 4.96 0.00 3.02 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 8.99 3.48 0.82 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 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 7.93 4.59 0.00 1.85 1.78 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.40 1.54 7.81 49 Q 8.51 4.55 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 50 L 8.66 4.15 0.00 1.38 1.25 0.73 -0.51 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 51 E 8.58 4.56 0.00 2.07 1.91 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 2.34 2.38 0.00 52 D 8.95 4.37 0.00 2.66 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 53 G 8.05 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.73 4.62 0.00 2.02 1.87 0.00 3.20 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 55 T 8.20 4.99 4.48 0.00 0.00 0.00 0.00 0.00 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 56 L 8.43 4.05 0.00 1.86 1.70 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.14 4.16 0.00 4.04 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 0.00 58 D 7.73 4.28 0.00 2.57 2.40 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 59 Y 7.52 4.52 0.00 3.04 2.96 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 60 N 8.05 4.17 0.00 2.92 2.92 0.00 0.00 6.98 7.06 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 61 I 7.71 3.68 1.66 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 -0.27 0.25 0.59 0.00 0.00 62 Q 8.24 4.62 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 63 K 8.38 3.94 0.00 1.86 1.83 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.52 7.81 64 E 8.96 4.06 0.00 2.25 2.33 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 2.47 2.36 0.00 65 S 7.85 4.65 0.00 3.80 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 8.75 5.18 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 1.23 0.00 0.00 67 L 9.50 4.99 0.00 1.61 1.61 0.95 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.14 5.12 0.00 3.22 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.66 5.07 0.00 1.63 1.67 1.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.96 4.56 2.21 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 1.01 0.00 0.00 0.94 0.00 0.00 71 L 8.51 5.15 0.00 1.55 1.54 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.37 4.25 0.00 1.80 1.75 0.00 3.29 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00