NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5674 8.1476 120.2694 55.2192 34.2724 173.6597 2 Q 4.8441 8.4281 120.8857 52.5504 31.0442 173.0011 3 I 4.5903 8.7564 118.5526 58.8012 41.8355 175.4244 4 F 5.4906 9.0202 121.1751 55.7065 42.5605 174.5598 5 V 4.8972 8.7489 122.2895 60.9936 34.2797 174.0372 6 K 4.6667 9.0990 130.5156 55.9661 33.6164 176.2694 7 T 4.8186 8.3967 118.7702 60.0670 71.4216 175.2301 8 L 3.9690 8.7092 120.5077 58.0042 41.5736 178.4662 9 T 4.2077 7.7726 105.9029 61.5300 69.4525 175.3881 10 G 3.9983 8.0652 110.9032 44.8895 0.0000 173.9506 11 K 4.1136 7.7215 122.3302 56.8289 33.2245 175.8239 12 T 5.0303 8.5221 124.3879 62.7923 69.7129 174.1720 13 I 4.5685 9.0879 119.8523 59.7666 40.5950 174.4239 14 T 4.9309 8.4493 120.1997 62.3718 69.7517 174.1182 15 L 4.8321 8.6048 125.2909 52.7639 46.0694 175.0198 16 E 4.8128 8.6590 121.7646 54.7830 30.9883 175.3021 17 V 4.7409 8.4515 119.3979 59.7615 36.1253 174.7905 18 E 4.7786 8.6910 120.8734 53.9337 32.3301 175.8500 19 P 4.3522 0.0000 0.0000 64.6776 31.4971 177.8293 20 S 4.6587 7.6613 112.5252 57.9505 64.1849 174.1001 21 D 4.3726 8.0043 122.4670 54.5087 41.0007 176.7375 22 T 4.9906 8.2934 115.4530 61.1666 71.1979 175.3016 23 I 3.8634 8.1830 120.5238 63.9502 37.1829 178.2734 24 E 3.9873 8.1998 119.3508 59.3959 29.3067 178.8327 25 N 4.2671 7.9301 116.4112 56.3161 38.6526 177.4311 26 V 3.5622 7.4224 119.4008 66.0763 31.5213 178.0960 27 K 4.1967 8.3222 119.1292 58.8132 31.8985 178.8125 28 A 3.9882 8.4640 121.3472 55.5591 18.2725 179.9516 29 K 4.1159 8.1252 116.5180 59.5908 32.0116 179.6964 30 I 3.8420 7.7191 120.2988 63.8753 37.0429 177.9717 31 Q 3.9455 8.8056 121.1580 59.5725 28.6981 178.2321 32 D 4.3604 7.8617 118.2125 57.1743 40.8872 178.3037 33 K 4.2028 7.7823 118.3374 57.8498 32.5352 177.3326 34 E 4.5914 8.6513 117.5313 55.1650 31.4148 176.6582 35 G 3.9231 8.3476 105.8415 45.0987 0.0000 172.5867 36 I 4.3364 7.2958 120.0134 58.4004 38.6792 174.0444 37 P 4.4233 0.0000 0.0000 61.8169 32.1856 175.5068 38 P 4.2572 0.0000 0.0000 65.8954 31.2784 178.3208 39 D 4.4938 8.0938 114.5647 55.1169 39.3101 176.4677 40 Q 4.4763 7.7111 117.3061 55.9503 30.0666 175.5195 41 Q 4.3522 8.2847 119.3744 55.4755 30.2652 175.1225 42 R 4.7184 8.9295 122.4932 54.2807 33.5490 174.6130 43 L 5.1547 8.4929 122.7035 53.0239 44.7166 175.1536 44 I 4.9572 8.8161 125.0457 59.4689 40.1437 174.5294 45 F 4.9918 9.0204 128.2591 56.9911 42.9162 174.4277 46 A 3.4905 9.0720 127.8726 53.0174 15.9447 177.7942 47 G 3.9333 8.3566 107.0301 46.4480 0.0000 174.1616 48 K 4.5639 8.1108 119.9472 54.3988 34.2933 174.8089 49 Q 4.6958 8.4066 124.1039 55.3155 29.9541 175.0138 50 L 3.9783 8.5346 127.1143 54.3441 42.9795 176.0691 51 E 4.6809 8.7856 122.2849 54.5480 31.6890 175.6454 52 D 4.6671 8.6954 124.0844 55.7884 41.4170 175.7963 53 G 4.1051 10.1417 113.5799 46.0256 0.0000 174.3642 54 R 4.4070 7.9456 118.5224 55.4253 31.5874 175.0090 55 T 5.1039 8.7355 108.6822 59.4628 71.5496 175.0148 56 L 3.9330 8.4575 122.5050 58.2641 42.2485 179.9434 57 S 4.0619 8.5222 113.1874 61.5027 62.3078 176.1136 58 D 4.2794 7.7384 118.2725 56.8017 40.5041 176.8621 59 Y 4.4855 7.7541 113.8288 57.1786 38.9508 174.5299 60 N 4.1849 8.0189 117.1239 54.5695 37.3443 174.5341 61 I 3.6384 7.8033 118.9761 60.4031 37.2731 176.0443 62 Q 4.4985 8.1680 124.7753 53.1226 31.1282 174.7741 63 K 3.9266 8.4029 119.0129 58.7137 32.1458 175.9719 64 E 4.0028 9.0809 123.4106 56.9538 28.0026 174.8830 65 S 4.5425 7.8028 115.4378 59.3090 64.2490 173.3665 66 T 5.1543 8.7252 119.4857 62.0853 70.1498 173.7515 67 L 4.8775 9.1827 127.4312 53.8693 44.0385 175.2782 68 H 5.1198 9.5263 120.4853 54.1031 31.0156 173.3545 69 L 5.0418 8.6934 126.0244 53.9554 43.2991 175.9673 70 V 4.5593 8.5882 117.8514 60.3959 36.6180 174.6673 71 L 5.4332 8.2194 122.7302 53.4550 44.0891 175.7113 72 R 4.6187 8.3996 117.8140 55.1793 32.4914 175.7052 73 L 4.5631 8.0730 123.2442 52.7347 42.2955 175.4957 74 R 4.1254 8.3179 123.5748 55.7738 30.9103 177.3552 75 G 3.7250 8.3821 109.8114 45.8359 0.0000 172.2122 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 8.15 4.57 0.00 1.92 2.17 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 2 Q 8.43 4.84 0.00 1.83 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 3 I 8.76 4.59 1.89 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 1.11 0.79 0.84 0.00 0.00 4 F 9.02 5.49 0.00 2.98 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 5 V 8.75 4.90 2.12 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 0.97 0.00 0.00 0.94 0.00 0.00 6 K 9.10 4.67 0.00 1.84 1.70 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.38 7.81 7 T 8.40 4.82 4.25 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 1.28 0.00 0.00 8 L 8.71 3.97 0.00 1.64 1.79 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.77 4.21 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 10 G 8.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.72 4.11 0.00 1.85 1.71 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.43 7.81 12 T 8.52 5.03 4.19 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 1.26 0.00 0.00 13 I 9.09 4.57 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.91 0.94 0.00 0.00 14 T 8.45 4.93 4.27 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 0.00 0.00 0.00 1.07 0.00 0.00 15 L 8.60 4.83 0.00 1.48 1.46 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.66 4.81 0.00 1.88 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 2.15 2.32 0.00 17 V 8.45 4.74 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 0.69 0.00 0.00 0.85 0.00 0.00 18 E 8.69 4.78 0.00 1.87 1.80 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 2.20 2.38 0.00 19 P 0.00 4.35 0.00 2.15 2.07 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 20 S 7.66 4.66 0.00 3.82 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.00 4.37 0.00 2.82 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 22 T 8.29 4.99 4.53 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 0.00 0.00 0.00 1.21 0.00 0.00 23 I 8.18 3.86 2.06 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.54 0.91 0.00 0.00 24 E 8.20 3.99 0.00 2.05 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 2.48 0.00 25 N 7.93 4.27 0.00 2.91 2.85 0.00 0.00 6.65 8.05 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 26 V 7.42 3.56 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 1.01 0.00 0.00 0.94 0.00 0.00 27 K 8.32 4.20 0.00 2.01 1.85 0.00 1.76 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.54 7.81 28 A 8.46 3.99 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 29 K 8.13 4.12 0.00 1.91 1.86 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.64 7.81 30 I 7.72 3.84 2.15 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 1.41 0.75 0.92 0.00 0.00 31 Q 8.81 3.95 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 32 D 7.86 4.36 0.00 2.70 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 33 K 7.78 4.20 0.00 1.94 1.83 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.44 7.81 34 E 8.65 4.59 0.00 2.06 1.90 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 2.21 2.32 0.00 35 G 8.35 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 0.00 0.00 0.00 36 I 7.30 4.34 1.87 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 1.42 0.67 0.91 0.00 0.00 37 P 0.00 4.42 0.00 2.17 1.97 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.26 0.00 2.17 2.11 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.09 4.49 0.00 2.76 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 40 Q 7.71 4.48 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 41 Q 8.28 4.35 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 42 R 8.93 4.72 0.00 1.86 1.79 0.00 3.07 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.49 5.15 0.00 1.50 1.53 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.82 4.96 1.90 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 1.11 0.90 0.90 0.00 0.00 45 F 9.02 4.99 0.00 3.00 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 46 A 9.07 3.49 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 47 G 8.36 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 48 K 8.11 4.56 0.00 1.94 1.72 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.23 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.37 7.81 49 Q 8.41 4.70 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 50 L 8.53 3.98 0.00 1.53 1.45 0.23 1.06 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 51 E 8.79 4.68 0.00 2.05 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 2.34 2.46 0.00 52 D 8.70 4.67 0.00 2.68 2.64 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 0.00 0.00 0.00 0.00 53 G 10.14 4.11 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 0.00 54 R 7.95 4.41 0.00 2.04 1.94 0.00 3.20 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.74 0.00 55 T 8.74 5.10 4.29 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 1.25 0.00 0.00 56 L 8.46 3.93 0.00 1.90 1.73 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.52 4.06 0.00 3.95 3.84 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 58 D 7.74 4.28 0.00 2.59 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 0.00 0.00 0.00 0.00 59 Y 7.75 4.49 0.00 2.92 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 60 N 8.02 4.18 0.00 2.96 3.10 0.00 0.00 7.16 7.23 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 61 I 7.80 3.64 1.76 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.08 0.63 0.00 0.00 62 Q 8.17 4.50 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.97 0.00 0.00 0.00 0.00 0.00 2.56 2.32 0.00 63 K 8.40 3.93 0.00 1.68 1.74 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.51 7.81 64 E 9.08 4.00 0.00 2.26 2.27 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 0.00 2.47 2.35 0.00 65 S 7.80 4.54 0.00 3.91 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 66 T 8.73 5.15 4.27 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 0.00 0.00 0.00 1.17 0.00 0.00 67 L 9.18 4.88 0.00 1.62 1.60 0.85 0.87 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 68 H 9.53 5.12 0.00 3.02 3.20 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.69 5.04 0.00 1.64 1.74 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.59 4.56 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 0.63 0.00 0.00 0.99 0.00 0.00 71 L 8.22 5.43 0.00 1.61 1.62 0.92 0.95 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 72 R 8.40 4.62 0.00 1.76 1.81 0.00 3.15 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 73 L 8.07 4.56 0.00 1.53 1.55 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.32 4.13 0.00 1.84 1.85 0.00 3.20 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 75 G 8.38 3.73 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 0.00 0.00 0.00