NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 56 N 4.7351 8.4093 119.2052 53.6240 38.9010 172.7642 57 T 4.6143 7.4792 111.4277 58.7143 73.1879 171.4643 58 I 4.3504 8.9192 123.8000 59.7340 41.4069 176.1219 59 R 4.6257 8.2762 126.1663 54.8129 30.7219 174.6153 60 V 4.6156 8.4970 124.8054 61.3740 32.4929 174.8352 61 F 4.9660 10.0500 129.4314 56.7234 39.9712 176.0291 62 L 4.2951 8.4599 123.9997 53.8432 42.8904 174.3461 63 P 4.9707 0.0000 0.0000 62.6913 31.9749 174.8471 64 N 4.3911 7.8585 115.9370 53.2786 39.3105 174.8028 65 K 4.6501 7.5245 111.4197 56.3172 34.5325 174.4679 66 Q 4.5928 8.1809 122.2903 54.7507 33.8587 174.5367 67 R 2.5256 8.2536 121.8885 54.4879 31.5094 174.8577 68 T 4.7672 7.7228 123.0423 61.6016 72.3276 173.8816 69 V 5.4413 7.9963 122.9173 59.9525 34.2313 174.3030 70 V 4.5768 8.2115 116.1101 59.2966 36.7160 174.0539 71 N 4.7905 8.7067 118.9748 53.3676 39.0055 176.7290 72 V 4.3969 8.0871 118.2228 59.7769 32.0607 174.7677 73 R 4.5675 7.4505 122.1090 56.3983 32.7189 174.2385 74 N 4.3932 8.5053 112.7611 53.3450 37.6722 174.4012 75 G 4.0874 7.7872 107.2731 44.9092 0.0000 174.3643 76 M 4.2280 7.7858 122.1713 54.9626 30.5162 176.8426 77 S 5.0106 8.1051 117.8243 57.1439 64.2283 176.0492 78 L 4.0301 8.4895 120.4604 58.1351 41.2459 179.1891 79 H 4.4949 8.5254 117.9528 59.2925 29.5048 176.9124 80 D 4.4152 8.2355 120.5442 57.5757 40.4300 178.6066 81 C 4.2163 8.0615 116.6890 62.5373 28.1499 176.1111 82 L 4.0885 8.4683 121.0104 58.1163 41.5189 178.8924 83 M 4.2359 8.1162 117.7006 59.2758 31.8697 177.5580 84 K 4.1365 8.0573 118.9177 58.6520 31.8116 178.7919 85 A 4.0869 8.1458 120.6947 55.0233 18.4405 179.6443 86 L 3.9698 8.5920 119.8599 58.2008 42.1296 179.1628 87 K 4.2335 8.1373 118.7346 59.6557 32.4922 179.2928 88 V 3.5897 8.1002 119.2999 65.3777 31.4753 177.3299 89 R 4.4397 7.7625 115.3654 55.7344 30.5726 177.0770 90 G 3.9403 7.7589 106.6047 45.9639 0.0000 174.1922 91 L 4.7008 7.9376 123.4752 54.3372 43.2188 176.0080 92 Q 4.6844 8.2227 116.8549 55.5923 30.8802 173.5350 93 P 4.3853 0.0000 0.0000 65.6875 31.8135 178.4256 94 E 3.7322 8.2063 117.3981 58.5873 29.7333 176.8463 95 C 4.7563 7.8911 117.8787 59.8364 33.8866 173.2906 96 C 5.2843 8.1118 115.3985 58.3363 29.5232 173.1790 97 A 4.9625 9.5328 123.8568 50.3126 22.3423 175.4450 98 V 4.2856 7.3142 111.8649 60.0609 33.7702 175.8348 99 F 4.9874 9.0335 121.5119 56.1968 43.7557 174.0304 100 R 4.4822 8.8870 120.0447 54.7267 31.4582 175.5833 101 L 3.9854 7.8224 122.5554 55.3236 42.8497 176.5844 102 L 3.9646 8.5525 124.9263 55.2851 41.5452 178.2841 103 Q 4.1639 8.3634 125.6040 56.3489 27.1123 176.2167 104 E 3.7039 7.8090 123.3731 58.3678 28.3954 171.8151 105 H 5.2104 7.4035 119.7347 54.7859 32.0244 171.8392 106 K 4.0407 8.1918 114.9695 57.4631 32.3519 177.0914 107 G 4.1819 7.1160 107.5491 44.8269 0.0000 172.9450 108 K 4.5547 8.0237 117.8700 53.7614 35.6457 175.9176 109 K 4.0890 8.4343 120.5057 57.4022 33.2349 175.9838 110 A 4.5987 8.3790 123.3868 51.0481 20.5215 177.1757 111 R 4.5612 8.5748 120.7556 56.5473 31.3540 175.2750 112 L 4.6855 7.5877 122.8312 53.2781 45.0749 175.0587 113 D 4.6004 8.5948 124.7044 53.3026 40.1668 175.3006 114 W 4.6502 8.3567 116.9657 56.5875 29.4877 177.8042 115 N 4.9282 8.0762 111.8044 54.1834 40.7193 175.1395 116 T 4.0985 7.8226 113.3351 61.7215 68.2839 173.0434 117 D 4.7513 8.4063 125.0112 53.2443 41.4897 177.6861 118 A 4.0595 8.4243 127.3908 54.6755 18.1985 178.7489 119 A 4.6682 7.9653 118.9328 53.6809 18.5722 178.2557 120 S 4.5256 7.6746 109.7938 58.5531 64.0767 174.8119 121 L 4.2262 7.6361 121.2638 54.6865 42.2477 175.6588 122 I 3.8486 6.6547 117.9218 63.1160 38.5050 173.7773 123 G 4.1617 8.4905 112.4179 45.5736 0.0000 173.3795 124 E 4.6954 7.8101 118.6099 54.7695 31.8031 173.6199 125 E 5.0527 8.3319 117.4668 55.4540 33.4485 174.9790 126 L 4.5102 9.1185 126.9706 54.0042 44.5274 174.8590 127 Q 4.8942 9.6048 124.9478 54.5236 33.2438 174.0027 128 V 5.3503 8.2183 121.0770 61.2911 35.6819 173.5667 129 D 4.7039 8.4348 124.2655 53.4338 45.0104 172.9694 130 F 5.2654 8.6459 118.6833 56.1533 39.3720 176.3850 131 L 4.3255 8.6727 124.0704 56.0595 40.1671 177.0099 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 56 N 8.41 4.74 0.00 2.68 2.83 0.00 0.00 6.77 6.82 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 57 T 7.48 4.61 4.31 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 0.00 0.00 0.00 1.24 0.00 0.00 58 I 8.92 4.35 1.88 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 1.23 1.30 0.92 0.00 0.00 59 R 8.28 4.63 0.00 2.13 2.04 0.00 3.36 0.00 0.00 3.42 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 60 V 8.50 4.62 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 0.91 0.00 0.00 0.94 0.00 0.00 61 F 10.05 4.97 0.00 3.00 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 62 L 8.46 4.30 0.00 1.47 1.64 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.97 0.00 2.02 1.84 0.00 3.99 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.79 0.00 64 N 7.86 4.39 0.00 2.94 2.76 0.00 0.00 7.10 6.59 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 65 K 7.52 4.65 0.00 1.87 1.79 0.00 1.48 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 1.46 7.81 66 Q 8.18 4.59 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 67 R 8.25 2.53 0.00 0.99 1.42 0.00 3.37 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 68 T 7.72 4.77 4.37 0.00 0.00 0.00 0.00 0.00 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 69 V 8.00 5.44 2.05 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 0.76 0.00 0.00 0.95 0.00 0.00 70 V 8.21 4.58 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 0.93 0.00 0.00 0.94 0.00 0.00 71 N 8.71 4.79 0.00 2.71 2.78 0.00 0.00 6.64 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 72 V 8.09 4.40 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 0.97 0.00 0.00 1.00 0.00 0.00 73 R 7.45 4.57 0.00 1.88 1.83 0.00 3.38 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 74 N 8.51 4.39 0.00 2.90 2.71 0.00 0.00 6.57 7.66 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 75 G 7.79 4.09 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 0.00 0.00 0.00 76 M 7.79 4.23 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.50 0.00 77 S 8.11 5.01 0.00 4.08 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 78 L 8.49 4.03 0.00 1.64 1.51 0.69 0.76 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 79 H 8.53 4.49 0.00 3.40 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.24 4.42 0.00 3.03 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 81 C 8.06 4.22 0.00 3.00 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 82 L 8.47 4.09 0.00 2.22 2.05 0.31 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 83 M 8.12 4.24 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 84 K 8.06 4.14 0.00 2.04 1.77 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.69 7.81 85 A 8.15 4.09 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 86 L 8.59 3.97 0.00 1.84 1.81 1.02 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.14 4.23 0.00 2.06 2.13 0.00 1.38 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.69 1.46 7.81 88 V 8.10 3.59 2.25 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 0.82 0.00 0.00 0.96 0.00 0.00 89 R 7.76 4.44 0.00 1.99 2.00 0.00 3.41 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 90 G 7.76 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 91 L 7.94 4.70 0.00 1.77 1.72 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.22 4.68 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 93 P 0.00 4.39 0.00 1.73 1.83 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.75 0.00 94 E 8.21 3.73 0.00 2.16 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 0.00 2.28 2.24 0.00 95 C 7.89 4.76 0.00 3.10 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 96 C 8.11 5.28 0.00 3.23 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 97 A 9.53 4.96 1.25 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 0.00 0.00 0.00 98 V 7.31 4.29 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 0.10 0.00 0.00 99 F 9.03 4.99 0.00 2.99 2.84 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 0.00 0.00 0.00 0.00 100 R 8.89 4.48 0.00 1.86 2.00 0.00 2.77 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.57 0.00 101 L 7.82 3.99 0.00 1.81 1.58 0.73 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.55 3.96 0.00 1.61 1.65 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.36 4.16 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 104 E 7.81 3.70 0.00 2.06 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 2.19 2.26 0.00 105 H 7.40 5.21 0.00 3.08 3.10 0.00 5.81 0.00 0.00 0.00 0.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.19 4.04 0.00 1.68 1.67 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 107 G 7.12 4.18 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 0.00 108 K 8.02 4.55 0.00 1.71 1.65 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.18 1.30 7.81 109 K 8.43 4.09 0.00 1.68 1.69 0.00 1.12 0.00 0.00 1.45 0.00 0.00 2.54 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.03 0.44 7.81 110 A 8.38 4.60 1.33 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 0.00 0.00 111 R 8.57 4.56 0.00 1.91 1.85 0.00 3.59 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 112 L 7.59 4.69 0.00 1.41 1.13 0.78 1.09 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 0.00 113 D 8.59 4.60 0.00 2.84 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 W 8.36 4.65 0.00 3.29 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 0.00 115 N 8.08 4.93 0.00 2.77 2.81 0.00 0.00 6.86 6.90 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 0.00 116 T 7.82 4.10 4.59 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 1.13 0.00 0.00 117 D 8.41 4.75 0.00 2.74 2.59 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 0.00 118 A 8.42 4.06 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 0.00 119 A 7.97 4.67 1.32 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 0.00 0.00 0.00 120 S 7.67 4.53 0.00 3.81 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 0.00 121 L 7.64 4.23 0.00 1.90 1.61 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 122 I 6.65 3.85 1.88 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 1.39 1.13 0.95 0.00 0.00 123 G 8.49 4.16 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 0.00 0.00 0.00 124 E 7.81 4.70 0.00 2.28 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 2.24 2.25 0.00 125 E 8.33 5.05 0.00 1.75 2.04 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 2.41 2.32 0.00 126 L 9.12 4.51 0.00 1.66 1.52 0.79 0.37 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 0.00 127 Q 9.60 4.89 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.45 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 128 V 8.22 5.35 2.07 0.00 0.00 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 0.84 0.00 0.00 129 D 8.43 4.70 0.00 2.80 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 F 8.65 5.27 0.00 3.11 2.98 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 0.00 131 L 8.67 4.33 0.00 1.90 1.85 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00