NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4442 8.3044 120.3261 53.9054 34.7078 175.2924 2 L 4.2712 7.6875 120.2148 55.8916 44.2693 176.1213 3 K 3.8135 8.0811 119.7404 58.1692 33.0229 177.0626 4 N 4.2621 8.3986 111.9304 53.2588 36.9001 175.4928 5 L 3.9568 7.7819 119.5941 58.1743 41.3896 179.0013 6 A 4.4770 7.8820 120.4120 53.8808 18.3027 179.2284 7 K 4.0371 8.0317 118.6769 59.5499 32.5497 178.7734 8 L 4.0319 8.3033 118.4187 57.5071 40.5995 177.7204 9 D 4.0547 8.0442 116.7220 52.9461 39.9224 175.3745 10 Q 4.0130 8.7332 127.1621 59.6621 28.5515 179.3380 11 T 3.7997 7.7994 113.3497 64.9864 67.3559 175.8151 12 E 3.8977 8.1562 120.5679 60.0417 29.5154 179.5082 13 M 4.1532 7.9750 117.7369 57.8598 32.0525 178.0391 14 D 4.3557 8.2577 118.9570 57.4411 41.0840 178.4461 15 K 3.9153 8.1850 119.1030 59.6426 32.1040 179.7240 16 V 4.4103 7.6049 120.5545 64.3005 31.4620 178.0036 17 N 4.4190 8.5514 118.2834 56.4152 38.8067 176.9615 18 V 3.7955 8.0628 119.8512 66.2528 31.7112 177.7784 19 D 4.3756 7.9849 118.5623 57.2336 40.6244 178.6229 20 L 3.9659 7.6834 118.6132 57.7765 41.7850 179.3444 21 A 4.0338 8.0155 119.8951 55.2247 18.1162 179.3761 22 A 3.4469 7.9833 117.8075 55.1900 18.6375 179.3516 23 A 3.9972 8.0295 119.6231 55.1611 18.4357 179.8470 24 G 3.7242 8.1508 104.3002 48.2744 0.0000 176.0079 25 V 3.7517 7.7483 119.5090 65.4093 31.5271 177.7289 26 A 4.0967 8.0511 120.1588 54.0611 18.2079 178.5130 27 F 4.2109 8.2803 118.7515 59.4479 39.4751 176.4863 28 K 4.0241 8.3067 119.3797 60.2379 31.6166 177.9587 29 E 3.9827 7.8011 118.6499 58.7021 29.7338 177.4325 30 R 4.2322 7.5788 117.5799 56.3513 31.0889 177.3403 31 Y 4.7395 7.4677 118.7194 58.5768 38.8728 176.3934 32 N 4.2753 8.1142 115.9149 56.2334 39.0630 174.2239 33 M 4.6811 7.9397 117.7178 52.0867 35.0649 172.9196 34 P 4.6216 0.0000 0.0000 62.5274 32.0610 176.1873 35 V 4.3494 8.3596 121.9017 61.3183 34.3879 174.1723 36 I 4.3386 8.3086 128.0324 59.3105 37.6815 175.7726 37 A 4.1068 8.6045 128.8770 55.0385 18.0471 178.6043 38 E 3.8811 8.2077 117.1935 59.3471 29.8022 178.7011 39 A 3.9447 7.9363 120.7256 55.2546 18.6305 179.6510 40 V 3.5753 7.9030 110.2193 64.7995 31.4621 178.2416 41 E 3.6569 7.8681 116.9416 59.3693 29.5845 178.5936 42 R 4.0183 7.8850 116.9990 58.7106 30.2100 177.8595 43 E 4.0746 8.1793 118.5240 58.0197 29.7733 177.3726 44 Q 3.8810 7.2302 120.9918 54.7052 29.6652 173.2737 45 P 4.3582 0.0000 0.0000 62.4949 31.8351 176.7163 46 E 3.8578 9.0037 122.3547 59.8224 29.5064 178.9468 47 H 4.0744 8.1845 115.7699 58.4761 28.8012 176.4369 48 L 4.7673 8.0643 118.3462 55.3301 41.1330 178.2919 49 R 4.2258 8.1294 123.8946 59.9793 29.7622 177.3633 50 S 4.1692 8.2966 112.1994 61.3635 62.2027 175.7138 51 W 4.5831 8.6396 131.1829 60.7224 30.2968 177.6477 52 F 4.1375 8.4093 119.9464 61.1761 38.7609 176.8185 53 R 3.8153 7.9605 118.0399 59.5048 29.8117 178.2387 54 E 3.8855 8.5102 118.5790 59.6642 29.5434 179.7446 55 R 3.4931 7.7543 118.1282 58.7870 29.8892 179.0452 56 L 3.7281 7.7348 119.3216 57.8291 41.5798 179.4941 57 I 3.6149 7.3692 119.3949 64.2849 37.0411 178.2511 58 A 3.8725 7.4242 121.4941 55.6493 18.1571 179.4984 59 H 4.1910 8.5084 114.7257 58.4845 28.5907 178.3640 60 R 3.8768 8.2788 121.0551 58.9446 29.8466 178.6605 61 L 3.9115 7.9659 119.4486 59.1707 40.0486 179.4119 62 A 3.9971 7.7975 120.4556 54.0485 18.3644 179.5309 63 S 4.2460 8.1366 113.4735 61.8320 63.1929 177.2228 64 V 3.6917 7.9222 115.6099 63.5553 31.3082 177.9442 65 N 4.3286 8.1428 116.5547 53.9325 37.0250 175.7512 66 L 4.0015 7.0679 124.8277 55.9264 40.4896 175.7268 67 S 3.3967 6.9151 107.9389 57.9465 63.1783 176.0194 68 R 3.8258 8.7112 121.8014 55.6617 29.5759 175.6864 69 L 3.5877 7.5867 117.0073 54.4672 39.8102 173.5803 70 P 4.9117 0.0000 0.0000 62.3227 30.2805 176.3400 71 Y 4.0140 8.3958 117.6424 54.8390 38.7222 174.9699 72 E 3.8131 8.4258 123.5069 54.6752 31.3439 175.1647 73 P 4.2621 0.0000 0.0000 61.5660 29.7917 177.1443 74 K 3.7004 9.4179 123.8852 55.9557 28.4104 173.9111 75 L 4.6205 7.7532 122.7578 53.2756 45.3425 175.8647 76 K 4.1743 8.5386 122.2671 56.7001 32.1649 176.7876 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 8.30 4.44 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 L 7.69 4.27 0.00 1.65 1.64 0.92 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.08 3.81 0.00 1.86 1.81 0.00 1.81 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.52 7.81 4 N 8.40 4.26 0.00 3.14 3.22 0.00 0.00 6.60 6.67 0.00 0.00 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 L 7.78 3.96 0.00 1.73 1.77 0.92 0.69 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 6 A 7.88 4.48 1.29 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 0.00 0.00 0.00 7 K 8.03 4.04 0.00 1.78 1.89 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.44 7.81 8 L 8.30 4.03 0.00 1.82 1.79 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.04 4.05 0.00 2.98 2.82 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 10 Q 8.73 4.01 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 11 T 7.80 3.80 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 12 E 8.16 3.90 0.00 2.19 1.98 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 2.30 2.61 0.00 13 M 7.97 4.15 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.71 0.00 14 D 8.26 4.36 0.00 2.93 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 15 K 8.19 3.92 0.00 1.90 1.59 0.00 0.91 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.17 0.00 0.00 0.00 0.00 1.44 1.33 7.81 16 V 7.60 4.41 2.15 0.00 0.00 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 1.02 0.00 0.00 17 N 8.55 4.42 0.00 3.02 3.01 0.00 0.00 6.78 8.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.06 3.80 2.69 0.00 0.00 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 0.00 0.00 1.12 0.00 0.00 19 D 7.98 4.38 0.00 2.80 2.83 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 0.00 0.00 0.00 20 L 7.68 3.97 0.00 2.14 1.75 1.07 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.02 4.03 1.56 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 0.00 0.00 22 A 7.98 3.45 0.76 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 0.00 0.00 23 A 8.03 4.00 1.26 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 0.00 0.00 0.00 24 G 8.15 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 3.75 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 1.08 0.00 0.00 1.11 0.00 0.00 26 A 8.05 4.10 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 27 F 8.28 4.21 0.00 3.21 3.19 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 28 K 8.31 4.02 0.00 2.07 1.81 0.00 1.64 0.00 0.00 1.46 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.46 7.81 29 E 7.80 3.98 0.00 1.95 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 2.25 2.31 0.00 30 R 7.58 4.23 0.00 0.67 0.95 0.00 2.98 0.00 0.00 2.66 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.29 0.00 31 Y 7.47 4.74 0.00 3.06 3.03 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 32 N 8.11 4.28 0.00 2.69 2.83 0.00 0.00 6.81 7.68 0.00 0.00 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 M 7.94 4.68 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.74 0.00 34 P 0.00 4.62 0.00 2.18 2.04 0.00 3.76 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 35 V 8.36 4.35 2.29 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 1.16 0.00 0.00 1.29 0.00 0.00 36 I 8.31 4.34 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.53 1.00 0.00 0.00 37 A 8.60 4.11 1.36 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 0.00 0.00 0.00 38 E 8.21 3.88 0.00 2.06 1.98 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 2.39 2.39 0.00 39 A 7.94 3.94 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 40 V 7.90 3.58 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 1.10 0.00 0.00 1.15 0.00 0.00 41 E 7.87 3.66 0.00 2.22 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 0.00 2.38 2.53 0.00 42 R 7.88 4.02 0.00 1.91 2.05 0.00 3.30 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 43 E 8.18 4.07 0.00 2.04 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 2.45 2.44 0.00 44 Q 7.23 3.88 0.00 1.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.32 7.39 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 45 P 0.00 4.36 0.00 2.30 2.08 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 46 E 9.00 3.86 0.00 2.07 2.18 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 2.23 2.04 0.00 47 H 8.18 4.07 0.00 3.16 3.46 0.00 5.87 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.06 4.77 0.00 1.95 1.90 1.12 0.73 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 49 R 8.13 4.23 0.00 2.08 2.04 0.00 3.39 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 50 S 8.30 4.17 0.00 4.01 3.99 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 0.00 0.00 0.00 51 W 8.64 4.58 0.00 3.44 3.33 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 0.00 52 F 8.41 4.14 0.00 3.11 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.96 3.82 0.00 2.09 1.95 0.00 3.29 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 54 E 8.51 3.89 0.00 1.86 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 2.57 2.59 0.00 55 R 7.75 3.49 0.00 1.33 1.61 0.00 3.21 0.00 0.00 2.76 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.66 0.00 56 L 7.73 3.73 0.00 1.60 1.56 0.74 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.37 3.61 1.90 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 1.41 0.42 0.86 0.00 0.00 58 A 7.42 3.87 1.11 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 0.00 0.00 59 H 8.51 4.19 0.00 3.12 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.28 3.88 0.00 1.92 1.93 0.00 3.26 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 61 L 7.97 3.91 0.00 1.88 2.03 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.80 4.00 1.36 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 0.00 0.00 0.00 63 S 8.14 4.25 0.00 4.05 4.23 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.92 3.69 2.06 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 0.76 0.00 0.00 0.99 0.00 0.00 65 N 8.14 4.33 0.00 2.86 3.15 0.00 0.00 7.24 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 66 L 7.07 4.00 0.00 1.79 1.88 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 67 S 6.92 3.40 0.00 3.85 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 68 R 8.71 3.83 0.00 2.27 2.08 0.00 3.41 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 69 L 7.59 3.59 0.00 1.80 1.69 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.91 0.00 2.26 1.79 0.00 3.87 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 71 Y 8.40 4.01 0.00 2.91 2.88 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 72 E 8.43 3.81 0.00 2.02 1.79 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 2.18 2.27 0.00 73 P 0.00 4.26 0.00 2.12 1.33 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 74 K 9.42 3.70 0.00 1.82 1.88 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.43 7.81 75 L 7.75 4.62 0.00 1.51 1.45 0.92 0.68 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 76 K 8.54 4.17 0.00 1.78 1.69 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.36 7.81