NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3026 0.0000 0.0000 62.1883 32.5603 176.4246 3 R 3.8066 8.0586 118.9685 57.9680 30.1949 175.8462 4 R 4.7673 8.2349 116.0845 53.5775 34.8182 176.1993 5 K 4.1277 8.4738 118.8327 59.0961 31.9443 179.6254 6 L 4.1244 7.9929 119.7965 58.8196 40.0774 179.8213 7 C 4.5899 7.9396 116.9000 59.3647 40.1544 175.1346 8 I 3.8994 7.5223 112.7150 61.3313 38.0159 176.4151 9 L 4.1315 7.0817 121.4118 54.7479 42.0726 176.4568 10 H 4.1951 8.5818 122.1922 55.5839 30.4929 175.0919 11 R 3.2686 7.7777 126.2523 56.5781 29.9112 175.4602 12 N 4.8515 8.0234 122.6885 51.7144 41.6052 173.1701 13 P 4.5554 0.0000 0.0000 64.1191 32.0295 176.8661 14 G 4.6555 9.0786 105.3863 45.8411 0.0000 173.3789 15 R 4.3557 8.0123 114.4468 55.8673 29.8226 176.2190 16 C 4.1206 7.5377 116.4185 56.7407 41.7617 172.7093 17 Y 4.5626 7.8363 115.7805 58.1978 38.1670 175.4651 18 D 4.6189 7.9030 124.1597 54.5623 43.3669 176.3805 19 K 4.6835 8.1885 122.6516 53.8101 33.4776 170.9195 20 I 4.3076 9.1684 127.4963 58.6844 38.9824 173.2649 21 P 4.7931 0.0000 0.0000 62.0397 31.9495 175.5823 22 A 4.6538 8.6898 125.3912 50.9909 23.4793 174.2848 23 F 5.7493 9.6495 117.0188 56.2958 42.9861 174.5172 24 Y 5.4452 9.0716 118.2048 55.7107 42.3008 173.1845 25 Y 4.3059 9.7896 122.5170 56.8466 40.3040 174.1278 26 N 4.4496 7.9854 126.7513 51.7678 38.3309 174.9757 27 Q 3.8700 8.4594 127.0209 58.9059 29.4092 177.7268 28 K 4.0342 7.6615 116.6987 58.8653 32.2239 177.4666 29 K 4.2088 7.9120 115.4003 55.5403 33.0604 176.0508 30 K 4.0095 8.3210 117.0240 56.1313 29.7487 174.9134 31 Q 4.6742 6.8618 113.8550 55.0663 32.3871 174.4486 32 C 4.9281 8.6328 117.8485 56.8461 42.5061 172.9204 33 E 5.0046 8.8020 121.6025 54.5041 33.9103 175.2189 34 R 4.6232 8.7520 120.1368 56.4676 31.3082 175.7514 35 F 4.8621 8.9342 115.2847 56.4948 41.6224 172.3895 36 D 5.0187 8.3482 119.5805 52.5346 42.5303 175.3972 37 W 4.7786 8.7770 135.0000 56.4793 31.7955 177.0788 38 S 4.2345 7.7853 121.5066 58.8649 63.2029 175.8640 39 G 3.1765 6.6467 108.2972 44.8797 0.0000 171.7992 40 C 4.6615 6.8694 111.1599 55.6324 44.7407 175.1194 41 G 3.8100 8.7902 108.9294 45.0575 0.0000 172.4097 42 G 4.0603 9.8099 106.2288 44.4917 0.0000 170.9193 43 N 4.9764 8.0122 115.0634 51.6717 40.1784 173.9338 44 S 4.2607 8.4337 110.8851 59.0744 63.7181 174.5927 45 N 4.7672 7.6787 122.2521 52.1336 36.2097 173.5570 46 R 4.9968 6.5938 119.0633 54.9674 33.7995 174.0217 47 F 4.7933 10.0263 125.0925 55.6061 42.8681 176.3980 48 K 4.2771 9.1011 121.0813 58.7675 32.6557 178.0836 49 T 4.9034 7.7447 107.7464 59.0929 73.0779 174.5964 50 I 2.9964 7.4324 121.5087 63.7978 37.8908 178.1644 51 E 3.8247 7.8559 119.1607 59.2900 29.4097 178.7617 52 E 3.8879 8.0103 118.5394 59.5360 29.5459 178.6002 53 C 2.5978 7.8111 118.0109 59.2356 41.9213 175.6329 54 R 3.7416 7.8888 119.7091 59.3952 29.4789 179.0947 55 R 3.8243 7.6256 116.1473 59.6676 30.1669 179.0564 56 T 3.9171 7.2626 113.3752 66.4746 68.7841 175.3498 57 C 4.4055 8.0152 117.0599 57.0944 41.1580 175.3746 58 I 3.8830 7.2185 118.7430 63.3842 38.3879 175.6825 59 G 3.9654 8.4129 112.3212 45.7508 0.0000 173.2670 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 2 P 0.00 4.30 0.00 1.88 1.40 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.18 0.00 3 R 8.06 3.81 0.00 1.97 1.97 0.00 3.12 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 4 R 8.23 4.77 0.00 1.79 1.79 0.00 3.29 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 5 K 8.47 4.13 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.49 7.81 6 L 7.99 4.12 0.00 1.94 1.96 1.12 0.72 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 7 C 7.94 4.59 0.00 3.07 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 8 I 7.52 3.90 1.94 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 1.79 0.59 0.98 0.00 0.00 9 L 7.08 4.13 0.00 1.64 1.67 0.93 1.06 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 10 H 8.58 4.20 0.00 3.10 3.16 0.00 5.75 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 11 R 7.78 3.27 0.00 0.67 1.23 0.00 2.97 0.00 0.00 2.79 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 12 N 8.02 4.85 0.00 2.78 2.61 0.00 0.00 6.97 7.71 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 13 P 0.00 4.56 0.00 2.37 2.62 0.00 3.54 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 14 G 9.08 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.01 4.36 0.00 1.75 1.89 0.00 2.96 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.44 0.00 16 C 7.54 4.12 0.00 2.74 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 17 Y 7.84 4.56 0.00 2.94 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 18 D 7.90 4.62 0.00 2.64 2.35 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 4.68 0.00 1.52 1.53 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.25 1.04 7.81 20 I 9.17 4.31 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.54 1.03 0.00 0.00 21 P 0.00 4.79 0.00 1.87 1.91 0.00 3.72 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.90 0.00 22 A 8.69 4.65 1.01 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 0.00 0.00 23 F 9.65 5.75 0.00 3.29 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.07 5.45 0.00 3.15 2.58 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 25 Y 9.79 4.31 0.00 3.02 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.99 4.45 0.00 2.22 2.43 0.00 0.00 6.39 8.24 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 27 Q 8.46 3.87 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 28 K 7.66 4.03 0.00 2.04 1.96 0.00 1.95 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.29 7.81 29 K 7.91 4.21 0.00 1.63 1.92 0.00 1.85 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.39 7.81 30 K 8.32 4.01 0.00 1.90 1.98 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.32 7.81 31 Q 6.86 4.67 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.09 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 32 C 8.63 4.93 0.00 2.84 3.09 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 0.00 0.00 0.00 33 E 8.80 5.00 0.00 1.54 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 2.12 2.08 0.00 34 R 8.75 4.62 0.00 2.04 1.86 0.00 3.36 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 35 F 8.93 4.86 0.00 3.10 3.12 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 0.00 0.00 0.00 0.00 36 D 8.35 5.02 0.00 2.59 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 W 8.78 4.78 0.00 2.83 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 38 S 7.79 4.23 0.00 3.76 3.90 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 0.00 0.00 0.00 0.00 39 G 6.65 3.18 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 0.00 0.00 0.00 40 C 6.87 4.66 0.00 3.07 2.99 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 41 G 8.79 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.81 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 43 N 8.01 4.98 0.00 2.75 2.79 0.00 0.00 5.91 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.43 4.26 0.00 3.91 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 45 N 7.68 4.77 0.00 2.95 2.92 0.00 0.00 6.83 7.50 0.00 0.00 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 R 6.59 5.00 0.00 1.65 1.35 0.00 2.33 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.90 0.00 47 F 10.03 4.79 0.00 3.18 3.16 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 0.00 48 K 9.10 4.28 0.00 1.83 1.97 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.43 7.81 49 T 7.74 4.90 4.39 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 1.28 0.00 0.00 50 I 7.43 3.00 0.74 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.18 0.65 0.00 0.00 51 E 7.86 3.82 0.00 2.04 1.92 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 2.35 2.38 0.00 52 E 8.01 3.89 0.00 2.20 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 2.39 2.60 0.00 53 C 7.81 2.60 0.00 2.97 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 54 R 7.89 3.74 0.00 1.87 1.86 0.00 3.11 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 55 R 7.63 3.82 0.00 1.79 1.93 0.00 3.12 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 1.60 1.71 0.00 56 T 7.26 3.92 3.88 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 1.29 0.00 0.00 57 C 8.02 4.41 0.00 2.60 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 0.00 0.00 0.00 58 I 7.22 3.88 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.38 0.87 0.00 0.00 59 G 8.41 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 0.00 0.00 0.00