NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 80 E 4.3440 8.4449 120.2276 55.3591 30.9226 175.3396 81 P 4.6552 0.0000 0.0000 60.8021 32.2024 174.0086 82 L 4.9167 9.8973 124.2569 54.2995 45.2436 174.6961 83 S 5.3993 8.5601 115.6422 57.2016 64.9502 173.4760 84 I 4.8913 8.7931 117.1496 59.1018 41.5685 173.8065 85 L 5.3142 9.0250 122.0317 52.9708 44.6781 175.9907 86 V 4.8734 8.8606 122.5908 61.1514 34.3614 173.9804 87 R 4.9740 9.1428 129.4309 55.1734 31.8360 175.8187 88 N 4.7877 8.6942 124.7703 51.4010 39.7470 175.2248 89 N 4.1097 8.6754 116.3696 56.8565 38.8661 175.9636 90 K 3.9970 7.8984 115.0241 57.5048 32.4097 177.7251 91 G 3.7467 8.2072 107.4156 44.8804 0.0000 172.8003 92 R 4.3362 8.2951 121.1679 55.1923 31.3106 175.4251 93 S 5.1335 8.6223 122.5747 57.7238 64.4430 173.6899 94 S 4.8329 8.8390 119.3447 56.9989 66.4290 173.1698 95 T 4.9973 8.1465 118.5155 62.9226 69.7325 173.9612 96 Y 4.6721 8.9428 122.5523 56.1696 42.0871 174.3387 97 E 4.6560 8.9024 123.3535 56.0596 30.6425 176.1515 98 V 4.8194 9.1608 117.0733 59.8522 37.0371 174.3375 99 R 5.0038 8.9517 119.6484 54.4167 33.2132 177.5785 100 L 4.1710 8.6510 121.6471 57.1953 41.9829 179.1285 101 T 4.0452 7.7861 107.9274 63.1639 69.4818 175.0564 102 Q 4.2414 7.8452 121.3548 55.7636 29.6815 175.6960 103 T 4.7480 8.1102 109.7720 61.1206 71.3290 175.8110 104 V 3.5606 8.5892 121.4400 66.1827 31.5128 178.0339 105 A 4.0075 8.2764 120.6681 55.6428 18.1865 179.1608 106 H 4.7023 8.2679 117.9472 58.6239 29.8327 177.2239 107 L 3.8588 7.9764 122.3660 58.0987 41.9104 179.0227 108 K 4.1605 8.5095 118.8134 59.7791 31.8374 179.2861 109 Q 4.1111 8.1610 118.2437 58.9718 28.5827 178.8638 110 Q 4.0435 8.0467 119.1361 59.0026 28.7615 178.9585 111 V 3.7467 8.0164 120.9781 65.4382 31.5361 177.8511 112 S 4.6602 8.4838 114.7781 60.8255 61.9811 176.5471 113 G 3.6063 7.9619 107.3280 47.6754 0.0000 175.2310 114 L 4.1142 7.9468 121.9026 57.7918 42.3207 178.3723 115 E 4.2752 8.5580 116.4517 55.9842 29.8274 176.6681 116 G 3.8653 8.2182 106.7661 46.6494 0.0000 173.6121 117 V 4.4885 7.5015 117.7500 60.1292 34.5732 174.6615 118 Q 4.2531 8.6951 125.6501 56.1486 29.0886 177.1920 119 D 3.7958 8.6832 120.7176 54.9510 39.7444 176.4025 120 D 4.6188 7.8881 118.6161 53.5058 39.8025 176.2799 121 L 4.9826 7.9568 119.3170 54.4202 43.1584 175.5319 122 F 5.6617 7.5408 112.6529 55.8307 40.7437 172.9306 123 W 5.3473 9.3284 116.1705 54.9801 32.0312 173.7733 124 L 5.8511 8.9625 119.8995 52.6592 44.3785 175.5638 125 T 5.1674 8.1643 110.6174 60.0147 72.9562 172.3303 126 F 4.9525 8.8045 124.7120 57.0457 42.8196 174.5400 127 E 3.2184 9.2463 126.2975 57.3714 26.8311 175.6893 128 G 3.8695 8.1420 103.4838 45.2927 0.0000 173.4672 129 K 4.6638 7.6185 119.6212 53.4203 34.4287 173.9512 130 P 5.0077 0.0000 0.0000 62.8697 32.1696 175.6467 131 L 4.0496 8.7735 124.2270 53.6365 42.9687 176.0522 132 E 4.4225 9.4546 124.3807 55.4110 30.6919 176.9323 133 D 4.3967 9.1726 124.8168 57.8017 41.0053 178.7765 134 Q 4.0869 7.9864 116.6775 57.4923 29.6378 175.6320 135 L 4.4764 7.9094 118.3624 53.3751 42.9915 174.6519 136 P 4.8812 0.0000 0.0000 62.3157 32.2901 177.4809 137 L 4.2725 8.9902 122.5022 58.2354 41.1064 180.2635 138 G 3.7709 8.4313 104.9894 47.0294 0.0000 174.9877 139 E 4.0414 8.1008 119.5692 58.0990 29.5646 177.3793 140 Y 4.6647 7.8101 115.3097 56.6981 38.6827 175.8033 141 G 3.9754 7.8234 107.3106 46.1890 0.0000 174.2391 142 L 3.7236 7.8850 118.4201 54.4846 42.2967 176.5758 143 K 4.6960 8.4666 120.2627 53.3009 35.8652 174.0174 144 P 4.5729 0.0000 0.0000 64.5336 31.3508 176.4990 145 L 3.7456 9.2662 122.1275 55.6631 39.9065 174.9914 146 S 4.4508 7.9823 114.6798 59.3604 64.0508 173.3551 147 T 5.1184 8.6587 119.3158 62.0800 70.1939 174.0165 148 V 4.6815 8.9553 126.7020 61.2642 34.4791 174.3353 149 F 5.0838 8.8865 125.5218 56.7843 40.8708 174.7152 150 M 4.2172 8.6918 124.0408 54.4067 32.7200 174.9927 151 N 4.6382 8.7674 125.8780 51.4278 40.0526 175.0458 152 L 4.6231 8.4617 124.5192 54.7084 42.7935 176.5722 153 R 4.5744 8.8968 124.2032 55.2422 31.0014 175.4852 154 L 4.8019 8.6585 126.2012 52.9837 43.9685 175.9493 155 R 4.7502 8.2841 121.3941 54.2206 33.7550 175.8113 156 G 3.7884 8.4131 107.3733 46.7331 0.0000 173.2452 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 80 E 8.44 4.34 0.00 1.98 1.97 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 2.22 2.29 0.00 81 P 0.00 4.66 0.00 2.02 1.99 0.00 3.63 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 2.03 2.15 0.00 82 L 9.90 4.92 0.00 1.63 1.71 0.92 0.71 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 83 S 8.56 5.40 0.00 3.81 3.83 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 84 I 8.79 4.89 1.97 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 1.27 0.85 0.92 0.00 0.00 85 L 9.02 5.31 0.00 1.71 1.65 0.96 0.88 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 86 V 8.86 4.87 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 0.88 0.00 0.00 0.60 0.00 0.00 87 R 9.14 4.97 0.00 1.91 1.58 0.00 2.60 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.44 0.00 88 N 8.69 4.79 0.00 2.74 3.03 0.00 0.00 6.22 7.80 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 89 N 8.68 4.11 0.00 2.62 2.83 0.00 0.00 6.93 6.68 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 90 K 7.90 4.00 0.00 1.73 1.80 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.38 7.81 91 G 8.21 3.75 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 0.00 0.00 0.00 92 R 8.30 4.34 0.00 1.87 1.91 0.00 3.05 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 93 S 8.62 5.13 0.00 3.80 3.80 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 94 S 8.84 4.83 0.00 3.75 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.15 5.00 4.14 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 1.25 0.00 0.00 96 Y 8.94 4.67 0.00 2.81 2.81 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 97 E 8.90 4.66 0.00 1.88 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 2.30 2.34 0.00 98 V 9.16 4.82 2.18 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 0.79 0.00 0.00 0.94 0.00 0.00 99 R 8.95 5.00 0.00 1.74 1.79 0.00 3.14 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 100 L 8.65 4.17 0.00 1.71 1.72 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.79 4.05 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 0.00 102 Q 7.85 4.24 0.00 2.33 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.94 0.00 0.00 0.00 0.00 0.00 2.58 2.34 0.00 103 T 8.11 4.75 4.50 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 0.00 0.00 0.00 1.26 0.00 0.00 104 V 8.59 3.56 2.45 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 1.07 0.00 0.00 1.04 0.00 0.00 105 A 8.28 4.01 1.38 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 0.00 0.00 0.00 106 H 8.27 4.70 0.00 3.27 3.48 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.98 3.86 0.00 1.77 1.78 0.59 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.51 4.16 0.00 1.96 1.74 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.37 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.59 1.71 7.81 109 Q 8.16 4.11 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 110 Q 8.05 4.04 0.00 2.24 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 111 V 8.02 3.75 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 0.78 0.00 0.00 0.44 0.00 0.00 112 S 8.48 4.66 0.00 4.27 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 0.00 113 G 7.96 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.95 4.11 0.00 1.73 1.85 0.55 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 0.00 115 E 8.56 4.28 0.00 1.89 1.86 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 2.36 2.28 0.00 116 G 8.22 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 0.00 117 V 7.50 4.49 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 1.24 0.00 0.00 0.97 0.00 0.00 118 Q 8.70 4.25 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.72 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 119 D 8.68 3.80 0.00 2.48 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 0.00 120 D 7.89 4.62 0.00 2.76 2.74 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 0.00 121 L 7.96 4.98 0.00 1.86 1.77 1.03 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 122 F 7.54 5.66 0.00 3.08 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 0.00 123 W 9.33 5.35 0.00 3.49 3.10 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 0.00 0.00 0.00 0.00 124 L 8.96 5.85 0.00 1.61 1.56 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.16 5.17 4.14 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 1.03 0.00 0.00 126 F 8.80 4.95 0.00 2.94 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 0.00 127 E 9.25 3.22 0.00 1.51 1.59 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 1.54 1.47 0.00 128 G 8.14 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 0.00 129 K 7.62 4.66 0.00 2.08 1.84 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.39 7.81 130 P 0.00 5.01 0.00 2.06 2.26 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.34 0.00 131 L 8.77 4.05 0.00 1.39 1.28 0.70 -0.23 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 0.00 132 E 9.45 4.42 0.00 2.06 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 2.36 2.45 0.00 133 D 9.17 4.40 0.00 2.79 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 0.00 134 Q 7.99 4.09 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 135 L 7.91 4.48 0.00 2.18 1.67 0.96 0.69 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 0.00 136 P 0.00 4.88 0.00 2.18 2.13 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 137 L 8.99 4.27 0.00 1.69 1.74 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.43 3.77 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 0.00 0.00 0.00 139 E 8.10 4.04 0.00 1.53 1.62 0.00 0.00 0.00 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 2.36 0.00 140 Y 7.81 4.66 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 0.00 141 G 7.82 3.98 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 0.00 0.00 0.00 142 L 7.89 3.72 0.00 1.51 1.38 0.73 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.47 4.70 0.00 1.81 1.69 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.56 7.81 144 P 0.00 4.57 0.00 2.05 2.03 0.00 3.82 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 2.04 2.13 0.00 145 L 9.27 3.75 0.00 1.78 1.80 0.94 1.10 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 0.00 146 S 7.98 4.45 0.00 3.74 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 0.00 147 T 8.66 5.12 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 1.45 0.00 0.00 148 V 8.96 4.68 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 1.06 0.00 0.00 0.80 0.00 0.00 149 F 8.89 5.08 0.00 2.84 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 0.00 150 M 8.69 4.22 0.00 1.90 1.76 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.18 0.00 151 N 8.77 4.64 0.00 1.44 2.19 0.00 0.00 6.71 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.46 4.62 0.00 1.56 1.66 0.91 0.96 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 0.00 153 R 8.90 4.57 0.00 1.97 2.03 0.00 3.23 0.00 0.00 3.42 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 154 L 8.66 4.80 0.00 1.68 1.58 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 155 R 8.28 4.75 0.00 1.77 1.80 0.00 3.31 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 156 G 8.41 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00