NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 77 S 4.4880 8.1776 115.4156 57.8415 63.5378 173.8637 78 P 4.3358 0.0000 0.0000 65.9660 31.8421 176.2938 79 E 4.1231 8.2497 116.9882 58.0149 30.5656 178.7051 80 F 4.3685 7.8135 121.6276 59.9151 39.7742 176.7303 81 S 4.0897 7.8693 114.3929 59.3922 63.2579 176.0394 82 K 3.9439 7.5131 121.6177 58.6112 31.8224 177.7761 83 L 4.2619 7.1369 118.4392 54.3587 42.1998 176.4457 84 G 3.7529 7.8616 105.8307 47.2627 0.0000 173.7719 85 L 4.5940 7.4563 118.0886 53.4799 43.6968 176.3811 86 R 4.9054 9.0125 118.9696 54.1514 34.6172 174.7425 87 Q 3.9625 9.1285 123.6109 56.9404 29.5704 176.1301 88 V 3.9757 8.2191 126.9474 62.2398 31.1602 175.9804 89 T 3.8837 8.7166 125.6304 64.8494 69.0015 174.7123 90 G 4.0127 8.6517 115.0355 46.2759 0.0000 173.7663 91 V 3.9251 7.1237 115.0623 61.2969 32.4806 175.8885 92 T 4.5326 8.1545 111.8348 62.4999 71.0264 174.2820 93 R 4.7761 7.5943 118.9833 55.2250 33.2212 174.1036 94 V 4.6374 8.8849 125.8981 61.2199 34.6790 174.2231 95 T 5.2332 8.5340 116.3730 60.0059 72.0347 173.1911 96 I 4.5915 8.8405 123.7653 59.7520 40.8723 174.0447 97 R 5.0561 8.7732 127.5573 54.5671 31.9296 175.2491 98 K 4.8298 8.8543 125.0372 54.2675 35.5185 177.5630 99 S 4.1477 9.0274 118.2511 61.4885 62.8248 176.4141 100 K 4.0450 8.0055 116.2524 56.8181 31.8992 175.7395 101 N 4.1429 8.2814 116.1165 54.6226 37.0653 174.0379 102 I 4.8012 7.9968 119.5341 59.4757 41.9875 176.1455 103 L 5.1804 8.4243 127.5910 53.3513 45.0561 175.0074 104 F 4.4929 9.6272 126.1102 56.5359 41.0836 175.1807 105 V 4.6420 8.4827 123.0342 61.3994 34.0929 173.8512 106 I 5.0571 8.9048 129.9336 59.1880 39.1287 175.2701 107 T 4.6891 8.2757 122.7023 62.4641 72.1383 173.8766 108 K 3.9614 9.0074 124.8903 55.8714 30.4453 173.7538 109 P 5.0374 0.0000 0.0000 61.6407 32.0496 175.4695 110 D 4.7094 8.9664 125.7856 53.8912 41.8925 175.7647 111 V 5.6858 8.2276 122.7269 59.3582 35.1639 174.1568 112 Y 5.2542 8.5975 118.0737 56.3529 42.3795 174.0948 113 K 5.0353 9.1783 123.8932 54.5604 35.8336 174.5236 114 S 4.9131 7.9848 119.2454 56.1065 64.5695 173.5126 115 P 4.1528 0.0000 0.0000 65.4871 31.3035 177.4794 116 A 4.2275 7.8082 119.3898 53.5587 18.9649 176.5692 117 S 4.6856 7.3480 108.2036 56.9225 66.4897 174.7728 118 D 4.4462 8.2609 121.6493 53.2454 39.0483 174.8133 119 T 4.5567 7.2286 115.6996 61.8741 72.2799 172.5342 120 Y 5.1111 8.8120 123.9041 56.1436 41.0219 175.6038 121 I 4.3741 9.1225 124.0714 59.7108 40.0252 174.7120 122 V 4.5131 8.2929 127.9227 61.3940 32.7767 174.7677 123 F 4.7457 8.9905 128.0063 56.3568 40.7939 175.9015 124 G 4.3772 8.0952 111.4853 45.2777 0.0000 171.0154 125 E 4.8295 8.5605 117.6466 54.4477 32.4541 175.3766 126 A 5.5410 8.6817 125.1063 49.4228 22.1106 175.5217 127 K 4.6791 8.3853 117.5776 54.7062 36.4296 175.6137 128 I 4.3373 8.2040 123.4223 60.2531 39.1187 174.8884 129 E 4.7852 8.3941 123.0234 54.7509 33.7402 174.1620 130 D 5.1553 8.4776 120.0459 52.4372 45.5254 173.9382 131 L 4.7194 8.7792 126.0216 53.1270 43.5219 175.8272 132 S 4.7595 8.3582 121.2610 56.9076 63.0571 173.4716 133 Q 3.9299 8.4152 124.9677 56.0255 29.5897 172.8016 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 77 S 8.18 4.49 0.00 4.03 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 78 P 0.00 4.34 0.00 2.41 2.35 0.00 3.44 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 2.07 2.17 0.00 79 E 8.25 4.12 0.00 2.02 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 2.32 2.30 0.00 80 F 7.81 4.37 0.00 3.16 2.96 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 81 S 7.87 4.09 0.00 4.07 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 82 K 7.51 3.94 0.00 1.90 1.89 0.00 1.84 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.43 7.81 83 L 7.14 4.26 0.00 1.51 1.40 0.59 0.96 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 84 G 7.86 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 85 L 7.46 4.59 0.00 1.28 1.68 0.90 0.51 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 86 R 9.01 4.91 0.00 1.68 1.81 0.00 3.42 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 87 Q 9.13 3.96 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 88 V 8.22 3.98 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 0.83 0.00 0.00 1.04 0.00 0.00 89 T 8.72 3.88 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 90 G 8.65 4.01 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 0.00 91 V 7.12 3.93 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 0.95 0.00 0.00 92 T 8.15 4.53 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 93 R 7.59 4.78 0.00 1.79 1.78 0.00 3.18 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.74 0.00 94 V 8.88 4.64 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 0.83 0.00 0.00 0.92 0.00 0.00 95 T 8.53 5.23 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 96 I 8.84 4.59 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.93 0.90 0.00 0.00 97 R 8.77 5.06 0.00 1.82 1.82 0.00 3.18 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 98 K 8.85 4.83 0.00 1.77 1.68 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.54 7.81 99 S 9.03 4.15 0.00 4.00 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 0.00 100 K 8.01 4.04 0.00 1.76 1.90 0.00 1.88 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.50 7.81 101 N 8.28 4.14 0.00 2.83 2.87 0.00 0.00 6.86 8.11 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 0.00 102 I 8.00 4.80 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.98 0.81 0.00 0.00 103 L 8.42 5.18 0.00 1.72 1.41 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 104 F 9.63 4.49 0.00 3.02 2.95 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 0.00 105 V 8.48 4.64 2.24 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 0.98 0.00 0.00 0.92 0.00 0.00 106 I 8.90 5.06 1.90 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 1.29 1.21 0.95 0.00 0.00 107 T 8.28 4.69 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 1.22 0.00 0.00 108 K 9.01 3.96 0.00 1.89 2.05 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.41 7.81 109 P 0.00 5.04 0.00 2.15 2.09 0.00 3.43 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00 110 D 8.97 4.71 0.00 2.89 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.23 5.69 2.15 0.00 0.00 0.00 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 1.04 0.00 0.00 112 Y 8.60 5.25 0.00 3.19 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 0.00 113 K 9.18 5.04 0.00 1.77 1.55 0.00 1.53 0.00 0.00 1.60 0.00 0.00 2.53 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.98 0.40 7.81 114 S 7.98 4.91 0.00 3.83 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 0.00 115 P 0.00 4.15 0.00 2.03 2.14 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 2.00 2.07 0.00 116 A 7.81 4.23 1.24 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 0.00 0.00 0.00 117 S 7.35 4.69 0.00 3.88 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 0.00 118 D 8.26 4.45 0.00 2.71 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 0.00 119 T 7.23 4.56 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 1.19 0.00 0.00 120 Y 8.81 5.11 0.00 2.80 2.86 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 0.00 121 I 9.12 4.37 2.13 0.00 0.00 1.00 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 0.86 0.64 0.00 0.00 122 V 8.29 4.51 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.94 0.00 0.00 123 F 8.99 4.75 0.00 3.02 2.92 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 0.00 124 G 8.10 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 0.00 0.00 0.00 0.00 125 E 8.56 4.83 0.00 1.92 1.85 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 2.30 2.30 0.00 126 A 8.68 5.54 1.35 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 0.00 0.00 127 K 8.39 4.68 0.00 1.64 1.64 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.43 7.81 128 I 8.20 4.34 1.68 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 -0.36 0.55 0.00 0.00 129 E 8.39 4.79 0.00 1.74 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 130 D 8.48 5.16 0.00 2.61 2.40 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 0.00 131 L 8.78 4.72 0.00 1.65 1.43 0.91 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 0.00 132 S 8.36 4.76 0.00 3.82 3.76 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 0.00 133 Q 8.42 3.93 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.42 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00