NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5193 8.3044 120.3731 55.4601 33.7349 172.3727 2 I 2.7934 7.2715 118.5493 58.8845 39.1242 168.0326 3 V 2.8669 8.5427 127.6431 62.6580 32.6106 173.3779 4 P 4.5404 0.0000 0.0000 60.4441 31.1571 175.9771 5 V 3.4549 8.3290 123.5407 64.2221 31.7859 174.0951 6 R 3.9223 8.5883 130.1838 55.6206 29.8877 174.9958 7 C 4.1738 7.8128 118.7080 58.3633 32.2983 173.9852 8 F 4.3683 8.4867 126.7124 61.1716 37.9965 176.5059 9 S 3.9464 7.5965 113.7621 61.5413 63.1513 175.2149 10 C 4.3007 7.6555 118.0989 59.3427 30.7885 174.1775 11 G 4.0586 8.7836 109.6189 45.7497 0.0000 173.2237 12 K 4.0220 7.9476 119.5557 56.1603 32.0235 175.3556 13 V 3.5318 7.9816 125.6574 63.3139 32.1621 176.2743 14 V 4.4258 8.0882 120.9255 63.5956 34.3687 175.0019 15 G 3.7386 8.1097 108.4706 48.7422 0.0000 175.1068 16 D 4.5261 8.1800 119.6306 56.1345 39.6118 178.8318 17 K 3.9242 8.1063 120.2129 58.2482 32.1348 177.6108 18 W 4.4137 8.6838 129.4915 60.6112 30.2386 177.1261 19 E 3.7497 8.4564 117.3268 59.8725 29.0963 179.7078 20 S 4.1371 7.6211 115.2186 61.9664 62.7386 175.7936 21 Y 4.0141 7.9839 122.1175 60.5065 38.6227 177.8497 22 L 3.3825 6.9521 119.7535 57.5647 41.6267 179.4129 23 N 4.2544 7.4828 116.8659 56.2016 39.0083 177.3395 24 L 4.2673 7.7052 116.2064 56.0342 41.2832 177.5345 25 L 4.4904 8.4463 117.7368 55.9590 44.7629 178.5874 26 Q 3.8661 8.2508 122.2164 58.8666 29.7612 177.2907 27 E 4.0217 7.6246 116.8822 57.1165 29.3875 176.9317 28 D 4.2856 8.6707 127.8829 56.1451 41.9993 177.2658 29 E 4.3266 7.5294 112.2424 55.9514 26.6946 173.4167 30 L 4.8819 8.0236 120.8952 52.2699 45.6306 175.6228 31 D 4.9414 8.0723 118.3334 53.1026 42.0589 176.4204 32 E 3.8364 8.9879 120.9886 58.9953 29.3298 180.4732 33 G 4.0343 7.6132 105.0518 48.0255 0.0000 175.5753 34 T 4.0429 7.9016 117.7527 66.1362 68.5786 176.9383 35 A 4.2323 7.9850 121.4502 55.4392 18.7201 179.1444 36 L 4.1180 8.4045 116.6738 58.4108 41.6975 179.9087 37 S 4.1538 7.7917 114.1368 61.9543 62.5388 177.1458 38 R 3.9719 8.6240 121.5312 59.2979 29.9182 177.7756 39 L 4.4736 7.6515 115.7417 54.7245 41.6918 177.9291 40 G 3.9332 7.8321 107.4479 45.3144 0.0000 175.1333 41 L 4.3286 7.3854 119.6613 53.5007 41.3618 176.9388 42 K 3.9593 8.7200 127.7082 57.3709 31.2658 179.4120 43 R 4.2887 9.0333 112.7629 56.2976 32.1862 176.5102 44 Y 4.2649 9.6530 119.9163 60.6092 37.2870 178.4851 45 C 3.7117 7.6498 114.9690 61.7604 29.7358 175.6524 46 C 4.1807 7.9089 118.9481 62.2216 27.9970 175.5456 47 R 3.8791 7.6348 119.8406 59.7918 29.8189 178.8949 48 R 3.9341 8.6356 115.7298 59.6983 29.0100 178.0227 49 M 3.7061 7.6814 118.2296 58.8772 31.8866 178.3013 50 I 3.6821 7.4198 117.8738 64.3401 37.6570 177.6003 51 L 3.9152 7.3295 119.8765 58.3624 41.7819 178.4441 52 T 4.3236 7.5515 113.5388 63.8787 69.8192 174.8889 53 H 4.0121 7.2691 119.4227 56.5856 30.1991 174.6538 54 V 4.1351 7.9472 124.5589 60.8647 32.8820 176.5738 55 D 4.5673 8.1332 133.2722 53.0922 40.0678 177.5378 56 L 3.7513 8.3301 121.9607 58.8715 42.4863 180.8264 57 I 4.1176 8.0171 117.5434 64.1333 38.2475 176.5803 58 E 4.0641 7.8539 117.9798 59.7507 29.4487 179.0613 59 K 3.8897 8.0384 117.7497 59.6746 32.2467 179.2803 60 F 4.8077 7.7098 117.2742 60.8169 38.9473 177.4905 61 L 4.2340 8.6883 117.2264 56.9928 41.5058 177.8896 62 R 4.4759 7.6183 118.1662 57.4567 31.3306 175.8888 63 Y 4.5345 8.1215 112.4243 57.1677 42.2086 177.3069 64 N 4.6399 8.0641 127.1361 53.3929 45.7800 172.7902 65 P 4.4574 0.0000 0.0000 62.8983 31.5317 176.0844 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 4.52 0.00 2.09 2.32 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 2.52 2.68 0.00 2 I 7.27 2.79 1.86 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 1.18 0.43 0.84 0.00 0.00 3 V 8.54 2.87 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 0.79 0.00 0.00 0.40 0.00 0.00 4 P 0.00 4.54 0.00 1.85 1.97 0.00 3.51 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 5 V 8.33 3.45 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 0.80 0.00 0.00 0.93 0.00 0.00 6 R 8.59 3.92 0.00 2.03 2.23 0.00 3.26 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 7 C 7.81 4.17 0.00 2.90 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.49 4.37 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.60 3.95 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 10 C 7.66 4.30 0.00 3.05 3.01 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 0.00 0.00 0.00 11 G 8.78 4.06 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 0.00 0.00 0.00 12 K 7.95 4.02 0.00 1.72 1.76 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.48 7.81 13 V 7.98 3.53 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 0.88 0.00 0.00 0.94 0.00 0.00 14 V 8.09 4.43 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.00 0.00 0.00 15 G 8.11 3.74 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 0.00 0.00 0.00 16 D 8.18 4.53 0.00 2.88 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 17 K 8.11 3.92 0.00 1.93 2.01 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.65 7.81 18 W 8.68 4.41 0.00 3.31 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.46 3.75 0.00 2.11 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 2.47 2.63 0.00 20 S 7.62 4.14 0.00 4.22 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 21 Y 7.98 4.01 0.00 2.98 2.87 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 22 L 6.95 3.38 0.00 1.25 1.42 -0.44 0.27 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 23 N 7.48 4.25 0.00 2.89 2.76 0.00 0.00 7.06 6.53 0.00 0.00 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 L 7.71 4.27 0.00 1.69 1.58 0.92 0.42 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 25 L 8.45 4.49 0.00 1.47 1.26 0.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.25 3.87 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 27 E 7.62 4.02 0.00 2.17 1.70 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 2.31 2.26 0.00 28 D 8.67 4.29 0.00 2.57 2.72 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 29 E 7.53 4.33 0.00 2.00 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 2.33 2.48 0.00 30 L 8.02 4.88 0.00 1.84 1.54 0.90 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.07 4.94 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.99 3.84 0.00 2.16 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 0.00 2.54 2.66 0.00 33 G 7.61 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 34 T 7.90 4.04 4.30 0.00 0.00 0.00 0.00 0.00 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 35 A 7.98 4.23 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 36 L 8.40 4.12 0.00 1.75 1.75 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.79 4.15 0.00 4.05 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 38 R 8.62 3.97 0.00 1.78 2.22 0.00 3.25 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 1.68 0.00 39 L 7.65 4.47 0.00 1.70 1.71 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.83 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 41 L 7.39 4.33 0.00 1.66 1.66 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.72 3.96 0.00 1.73 1.58 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.45 7.81 43 R 9.03 4.29 0.00 2.17 2.13 0.00 3.21 0.00 0.00 3.40 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 44 Y 9.65 4.26 0.00 3.24 3.11 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 45 C 7.65 3.71 0.00 3.00 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 46 C 7.91 4.18 0.00 2.97 2.97 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 47 R 7.63 3.88 0.00 1.92 2.04 0.00 3.28 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 48 R 8.64 3.93 0.00 2.04 2.27 0.00 2.75 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.04 0.00 49 M 7.68 3.71 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 50 I 7.42 3.68 1.69 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.86 0.37 0.00 0.00 51 L 7.33 3.92 0.00 1.60 1.85 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.55 4.32 4.34 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 0.00 0.00 1.24 0.00 0.00 53 H 7.27 4.01 0.00 3.00 3.25 0.00 5.71 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 54 V 7.95 4.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.97 0.00 0.00 55 D 8.13 4.57 0.00 2.75 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 56 L 8.33 3.75 0.00 1.97 1.06 nan 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.02 4.12 2.08 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 1.76 1.48 1.10 0.00 0.00 58 E 7.85 4.06 0.00 2.03 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 2.72 2.60 0.00 59 K 8.04 3.89 0.00 1.42 1.74 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.40 7.81 60 F 7.71 4.81 0.00 3.40 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.69 4.23 0.00 1.85 1.83 1.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.62 4.48 0.00 1.81 1.81 0.00 3.15 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 63 Y 8.12 4.53 0.00 3.11 2.80 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 64 N 8.06 4.64 0.00 2.71 2.06 0.00 0.00 6.96 7.69 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 65 P 0.00 4.46 0.00 2.23 2.04 0.00 3.89 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00