NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4163 8.3193 115.2896 57.8706 64.2149 174.3885 3 I 3.8686 7.4127 111.3687 59.6538 38.4295 173.5732 4 G 3.9336 8.3483 106.9701 43.9749 0.0000 174.7109 5 V 3.7292 8.2379 118.4569 61.9401 32.4763 174.8407 6 P 4.2242 0.0000 0.0000 66.1476 31.0680 178.6280 7 I 3.6049 7.7601 116.4660 63.9546 37.8543 177.9284 8 K 4.0016 8.1253 119.4325 59.4115 31.6722 179.5079 9 V 3.5784 7.6407 116.9557 65.8070 31.7378 177.3062 10 L 4.0794 8.0192 120.1137 58.4952 41.9322 178.5383 11 H 4.2610 8.3424 116.3681 59.0970 28.4970 177.3123 12 E 4.1963 8.0879 117.8750 58.1110 29.5344 178.2758 13 A 4.1991 8.1894 120.9523 52.3659 18.8402 177.1651 14 E 4.2759 7.4196 117.9870 57.9393 29.8893 177.6786 15 G 3.9368 9.5953 112.6203 45.1753 0.0000 172.5447 16 H 5.0038 8.1967 116.5304 53.6277 32.4305 173.5257 17 I 4.5380 8.2509 120.8278 61.5643 37.7178 176.0485 18 V 4.7658 9.2990 119.1494 59.9212 36.6627 174.3738 19 T 5.0214 8.5594 118.0834 61.9666 71.6342 172.8013 20 C 5.0468 9.6397 127.1560 57.5157 34.4214 171.8491 21 E 4.8742 8.5363 128.2359 54.5680 31.2445 175.6957 22 T 4.6734 8.6780 117.9103 60.7782 70.2721 175.6312 23 N 4.4500 9.3284 119.5298 55.6397 38.6142 176.9855 24 T 4.3972 7.9772 107.0499 61.2126 68.9734 175.4266 25 G 3.9293 8.1519 109.3275 45.8179 0.0000 174.1502 26 E 4.3245 8.0669 119.8843 55.9737 31.1895 175.8616 27 V 4.6423 8.3690 123.0080 61.3034 34.4090 173.6642 28 Y 4.9558 9.4189 126.0036 56.1424 40.6413 174.6412 29 R 4.9124 9.0910 125.0677 54.4001 33.4858 174.9913 30 G 3.8699 8.1972 111.4060 46.2283 0.0000 170.9697 31 K 4.7174 7.7672 121.5551 56.0536 33.4393 176.5912 32 L 4.3738 9.2066 130.9595 55.4040 42.5852 176.8454 33 I 4.0758 8.7420 127.7154 63.1280 38.5232 176.1363 34 E 4.9078 7.9873 121.2923 54.8550 33.1787 173.3822 35 A 5.0626 8.9788 129.9451 50.4241 20.9745 176.5279 36 E 4.4990 9.1875 123.6266 55.1883 30.9312 177.5074 37 D 4.4160 8.6429 119.2429 57.3025 40.5124 177.3980 38 N 4.6204 8.1548 114.6129 52.6500 37.6632 175.5868 39 M 3.1644 8.0436 116.7931 56.2359 30.0800 176.1373 40 N 4.5536 8.3462 117.7638 53.4756 39.7994 173.8284 41 C 5.3073 9.0556 121.7043 58.0402 31.4510 172.8983 42 Q 5.1103 9.3327 123.0831 55.2173 30.1742 174.8203 43 M 5.4524 9.2020 122.9995 53.6245 36.8158 174.4847 44 S 4.9781 8.8422 114.8813 56.3267 67.1557 172.9812 45 N 4.4422 8.5476 116.7172 54.2971 36.3715 173.7962 46 I 4.7176 7.8873 112.5366 59.9546 41.3280 176.5037 47 T 5.0831 8.9123 120.4826 61.7871 70.9951 173.6223 48 V 4.3826 8.6943 126.7077 59.8703 34.3559 174.7935 49 T 4.6810 8.1648 120.6308 61.9113 70.8264 174.2065 50 Y 4.6174 8.8778 125.2137 56.7783 39.0098 176.7612 51 R 3.8656 8.6932 121.0060 59.4321 30.0720 176.6483 52 D 4.5827 8.1315 114.5635 53.2680 39.7564 177.0570 53 G 3.9480 8.2283 109.3110 45.0247 0.0000 174.0778 54 R 4.1082 8.3060 121.4282 56.4398 31.1713 175.3107 55 V 4.9022 8.3604 124.9696 61.4129 34.1234 174.0272 56 A 4.7686 8.6806 127.0572 51.1850 23.4089 174.5703 57 Q 5.1864 8.6035 117.0986 54.2806 31.9433 175.6574 58 L 4.8647 8.6933 121.7481 53.1269 45.7308 177.5880 59 E 4.0746 8.9729 122.0712 59.2413 30.5482 176.6616 60 Q 5.0660 7.8600 117.5983 54.7099 32.4154 174.2012 61 V 4.6368 8.9354 117.2673 59.7961 36.7051 173.9982 62 Y 5.0956 8.5758 123.1765 56.2528 41.0272 174.7114 63 I 4.1192 8.3692 129.3789 59.1819 39.2354 176.1261 64 R 4.0390 8.2024 126.8979 55.5225 30.9721 178.1329 65 G 3.6670 9.7146 111.0796 48.1958 0.0000 175.1259 66 C 4.3314 7.9673 112.0541 59.3425 29.8792 173.9223 67 K 4.3705 8.0865 119.8157 56.2887 32.6561 175.5884 68 I 4.3769 7.2964 121.0650 60.2664 38.1835 175.5849 69 R 4.3038 9.0753 127.3543 57.9709 30.2072 176.0470 70 F 5.0147 7.1867 111.4100 55.9212 41.2563 172.0488 71 L 5.2808 8.7180 118.7617 53.1062 45.0138 176.0692 72 I 4.4882 9.1857 123.7954 59.9331 38.8834 175.0223 73 L 5.1072 8.4043 126.9213 51.8091 44.3700 174.7718 74 P 4.2679 0.0000 0.0000 63.2819 31.9069 176.2324 75 D 4.6061 8.9657 120.2765 54.2794 40.7423 176.1114 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 S 8.32 4.42 0.00 3.84 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 3 I 7.41 3.87 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.88 0.91 0.00 0.00 4 G 8.35 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 5 V 8.24 3.73 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 0.99 0.00 0.00 0.93 0.00 0.00 6 P 0.00 4.22 0.00 2.18 2.11 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 7 I 7.76 3.60 1.84 0.00 0.00 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 1.62 1.33 0.91 0.00 0.00 8 K 8.13 4.00 0.00 2.06 1.86 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.46 7.81 9 V 7.64 3.58 2.20 0.00 0.00 0.00 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 0.95 0.00 0.00 10 L 8.02 4.08 0.00 1.76 1.74 0.92 0.90 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 11 H 8.34 4.26 0.00 3.39 3.33 0.00 5.67 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 12 E 8.09 4.20 0.00 2.09 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 2.36 2.52 0.00 13 A 8.19 4.20 1.34 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 0.00 0.00 0.00 14 E 7.42 4.28 0.00 2.10 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 2.40 2.46 0.00 15 G 9.60 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 16 H 8.20 5.00 0.00 3.27 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.25 4.54 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 1.36 0.48 0.93 0.00 0.00 18 V 9.30 4.77 2.20 0.00 0.00 0.00 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 1.00 0.00 0.00 19 T 8.56 5.02 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 1.25 0.00 0.00 20 C 9.64 5.05 0.00 2.91 2.90 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 21 E 8.54 4.87 0.00 1.48 1.12 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 1.91 2.03 0.00 22 T 8.68 4.67 4.38 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 1.35 0.00 0.00 23 N 9.33 4.45 0.00 2.74 2.91 0.00 0.00 7.05 6.60 0.00 0.00 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 T 7.98 4.40 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 1.22 0.00 0.00 25 G 8.15 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 26 E 8.07 4.32 0.00 2.15 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 27 V 8.37 4.64 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 0.93 0.00 0.00 0.88 0.00 0.00 28 Y 9.42 4.96 0.00 2.84 2.78 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 0.00 0.00 0.00 29 R 9.09 4.91 0.00 1.82 1.72 0.00 3.18 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.75 0.00 30 G 8.20 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 0.00 0.00 0.00 31 K 7.77 4.72 0.00 1.90 1.71 0.00 1.63 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.39 7.81 32 L 9.21 4.37 0.00 1.79 1.56 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.74 4.08 1.99 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 1.13 0.99 0.92 0.00 0.00 34 E 7.99 4.91 0.00 2.03 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 2.33 2.35 0.00 35 A 8.98 5.06 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 36 E 9.19 4.50 0.00 2.20 1.96 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 2.38 2.39 0.00 37 D 8.64 4.42 0.00 2.69 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 38 N 8.15 4.62 0.00 2.93 3.03 0.00 0.00 6.36 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 39 M 8.04 3.16 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 40 N 8.35 4.55 0.00 2.79 2.25 0.00 0.00 6.84 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 41 C 9.06 5.31 0.00 2.69 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 42 Q 9.33 5.11 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 43 M 9.20 5.45 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 44 S 8.84 4.98 0.00 3.91 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 45 N 8.55 4.44 0.00 2.78 2.86 0.00 0.00 6.90 7.45 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 46 I 7.89 4.72 2.03 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.05 1.01 0.00 0.00 47 T 8.91 5.08 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 48 V 8.69 4.38 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 -0.86 0.00 0.00 49 T 8.16 4.68 4.07 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 0.00 0.00 0.00 1.14 0.00 0.00 50 Y 8.88 4.62 0.00 3.17 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 51 R 8.69 3.87 0.00 1.82 2.01 0.00 3.24 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 52 D 8.13 4.58 0.00 2.83 2.76 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 53 G 8.23 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.31 4.11 0.00 1.99 1.98 0.00 3.07 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.63 0.00 55 V 8.36 4.90 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 0.80 0.00 0.00 0.96 0.00 0.00 56 A 8.68 4.77 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 57 Q 8.60 5.19 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 58 L 8.69 4.86 0.00 1.65 1.58 1.13 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.97 4.07 0.00 1.95 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 2.41 2.33 0.00 60 Q 7.86 5.07 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.58 0.00 61 V 8.94 4.64 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 0.78 0.00 0.00 0.84 0.00 0.00 62 Y 8.58 5.10 0.00 2.77 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 63 I 8.37 4.12 1.63 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.28 0.68 0.00 0.00 64 R 8.20 4.04 0.00 1.70 1.71 0.00 3.09 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.17 0.00 65 G 9.71 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 C 7.97 4.33 0.00 3.07 3.04 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 0.00 0.00 0.00 67 K 8.09 4.37 0.00 1.80 1.80 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.45 7.81 68 I 7.30 4.38 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.59 0.88 0.00 0.00 69 R 9.08 4.30 0.00 1.92 1.84 0.00 3.28 0.00 0.00 3.30 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.49 0.00 70 F 7.19 5.01 0.00 3.12 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 71 L 8.72 5.28 0.00 1.54 1.62 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 72 I 9.19 4.49 1.96 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 1.38 1.43 0.94 0.00 0.00 73 L 8.40 5.11 0.00 1.51 1.56 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.27 0.00 2.13 2.06 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 75 D 8.97 4.61 0.00 2.76 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