NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1107 8.0393 120.3972 63.0566 33.6110 176.5214 2 D 4.2596 8.2768 118.8441 54.9660 39.6859 173.9521 3 N 4.2898 7.2151 114.9682 51.7989 44.1240 175.5153 4 K 4.2070 8.3049 117.2065 59.1512 31.8153 177.8230 5 F 4.0161 8.3843 118.1794 58.2760 38.5345 176.2867 6 N 4.8071 8.3559 118.6215 56.6190 38.6376 176.6050 7 K 3.9588 7.6275 120.4557 59.6548 32.2578 178.7847 8 E 3.8974 7.9194 118.4198 59.1878 29.3625 179.1694 9 R 3.9599 9.5117 119.1211 59.6180 30.1836 178.9819 10 V 3.7364 7.5109 111.1109 64.4955 31.5054 178.6095 11 I 3.6838 7.4410 118.8670 64.2238 36.8738 178.3615 12 A 3.9813 7.7884 121.4039 55.1388 18.1842 179.6024 13 I 3.7583 8.2867 118.9305 64.6336 37.1609 178.7666 14 G 3.6826 8.7143 106.7264 47.8771 0.0000 175.2589 15 E 3.9339 8.5543 121.9795 58.9250 29.4270 178.8693 16 I 3.6203 8.0811 119.1147 64.8927 37.3589 178.1940 17 M 4.2202 8.2028 118.0108 58.2582 31.7332 178.8248 18 R 4.2768 8.0328 118.3248 57.8698 30.5735 176.6788 19 L 3.9688 7.6333 119.8549 54.7741 41.3755 175.9401 20 P 4.5033 0.0000 0.0000 63.4823 31.7185 176.9808 21 N 4.6638 7.8785 115.0256 54.2917 39.4265 175.7034 22 L 4.2812 7.1741 117.1150 54.2957 42.5099 176.9067 23 N 4.6820 8.4850 119.2138 53.1192 41.1200 176.3603 24 S 4.1260 8.5262 121.2187 61.8925 62.9508 177.1240 25 L 3.9845 8.2203 121.0966 57.7423 41.4147 179.3824 26 Q 3.8011 8.1005 117.7264 58.7528 28.7085 178.7731 27 V 3.8619 8.3811 119.7358 66.1610 31.5515 178.2786 28 V 3.7081 8.0927 118.0176 65.7615 31.1142 177.7863 29 A 3.7930 7.9611 120.9084 55.1127 18.1711 179.7122 30 F 4.2683 7.6359 116.1604 60.6858 39.0287 178.0021 31 I 3.7775 8.4518 119.7816 64.6997 36.9742 178.2448 32 N 4.3839 8.9177 117.9139 56.4217 38.2006 177.5549 33 S 4.2537 7.8828 116.4593 60.9981 62.7176 176.5949 34 L 4.1017 7.7696 121.3621 57.7979 41.4398 179.1968 35 R 4.0809 7.7525 116.8676 59.4914 30.1302 178.3065 36 D 4.7441 7.8941 116.3093 56.3294 41.7861 175.9156 37 D 4.4819 8.7260 121.3307 52.6386 43.1640 173.9592 38 P 5.0396 0.0000 0.0000 64.7127 31.9299 179.5952 39 S 2.7900 7.8322 113.6886 60.7875 62.9845 174.9218 40 Q 4.5536 7.4737 116.4892 55.9385 29.0470 177.7709 41 S 4.3279 7.8439 117.6618 61.9014 62.6186 176.4155 42 A 4.1129 8.0376 122.7457 54.5378 18.0972 179.1515 43 N 4.2321 8.5722 116.6491 56.9183 39.1876 177.1947 44 L 4.1359 7.8848 120.5673 58.4355 40.7470 178.6100 45 L 3.7795 7.9016 121.0484 57.7514 41.8835 178.7410 46 A 3.8776 8.0111 121.1134 55.2504 18.3717 179.4745 47 E 3.9000 8.3753 117.1523 59.2454 29.3611 179.6431 48 A 2.5800 7.4800 121.0803 54.6511 18.2851 179.9366 49 K 3.4284 8.3682 117.3377 59.3320 31.9599 179.8795 50 K 3.9715 8.2150 119.4438 59.3284 31.9945 179.4446 51 L 4.0168 8.2146 119.7329 57.6148 41.5732 178.9303 52 N 4.2812 8.9632 118.3001 56.8532 38.6729 176.4456 53 D 4.3179 8.0423 118.2838 57.2037 41.3520 177.6981 54 A 4.1391 8.3230 121.0201 54.9287 18.5214 178.8973 55 Q 4.2572 8.4722 114.0711 55.8577 29.3847 176.2071 56 A 4.2408 7.2089 123.2908 50.9177 19.1139 175.1517 57 P 4.6842 0.0000 0.0000 62.4316 32.6683 176.6987 58 K 4.1341 8.1456 116.8972 56.9378 33.0631 176.3212 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 V 8.04 4.11 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 1.02 0.00 0.00 0.99 0.00 0.00 2 D 8.28 4.26 0.00 2.93 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 3 N 7.22 4.29 0.00 2.83 2.88 0.00 0.00 7.03 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.30 4.21 0.00 1.94 2.07 0.00 1.44 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.62 1.77 7.81 5 F 8.38 4.02 0.00 3.17 3.35 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 6 N 8.36 4.81 0.00 3.10 2.84 0.00 0.00 6.79 6.16 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 7 K 7.63 3.96 0.00 1.94 1.70 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.44 7.81 8 E 7.92 3.90 0.00 2.04 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 2.14 1.54 0.00 9 R 9.51 3.96 0.00 2.07 2.11 0.00 3.14 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 10 V 7.51 3.74 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 0.96 0.00 0.00 0.98 0.00 0.00 11 I 7.44 3.68 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.72 0.90 0.00 0.00 12 A 7.79 3.98 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 13 I 8.29 3.76 2.06 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 1.50 0.93 0.94 0.00 0.00 14 G 8.71 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.55 3.93 0.00 2.18 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 2.27 2.35 0.00 16 I 8.08 3.62 2.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.03 1.12 0.00 0.00 17 M 8.20 4.22 0.00 1.97 2.30 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 3.00 0.00 18 R 8.03 4.28 0.00 1.96 1.98 0.00 3.33 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.79 0.00 19 L 7.63 3.97 0.00 1.88 1.62 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.50 0.00 2.04 2.09 0.00 3.66 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 2.02 2.17 0.00 21 N 7.88 4.66 0.00 2.68 2.90 0.00 0.00 7.27 7.85 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 22 L 7.17 4.28 0.00 1.84 1.75 1.01 1.17 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 23 N 8.48 4.68 0.00 2.85 2.70 0.00 0.00 7.04 7.59 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 24 S 8.53 4.13 0.00 3.91 3.91 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 0.00 0.00 0.00 25 L 8.22 3.98 0.00 1.83 1.68 0.90 1.11 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 26 Q 8.10 3.80 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.27 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 27 V 8.38 3.86 2.38 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 1.06 0.00 0.00 1.13 0.00 0.00 28 V 8.09 3.71 2.23 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 0.93 0.00 0.00 0.96 0.00 0.00 29 A 7.96 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.64 4.27 0.00 3.32 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 31 I 8.45 3.78 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.84 0.94 0.00 0.00 32 N 8.92 4.38 0.00 2.90 2.85 0.00 0.00 7.14 5.35 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 33 S 7.88 4.25 0.00 4.11 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 34 L 7.77 4.10 0.00 1.77 1.78 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.75 4.08 0.00 1.83 2.01 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 36 D 7.89 4.74 0.00 2.74 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 37 D 8.73 4.48 0.00 2.63 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.04 0.00 2.23 2.15 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 39 S 7.83 2.79 0.00 3.58 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 7.47 4.55 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 41 S 7.84 4.33 0.00 4.09 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 42 A 8.04 4.11 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 43 N 8.57 4.23 0.00 2.69 2.96 0.00 0.00 6.83 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 44 L 7.88 4.14 0.00 2.22 2.03 1.05 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.90 3.78 0.00 1.82 1.80 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.01 3.88 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 47 E 8.38 3.90 0.00 2.27 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 2.63 2.60 0.00 48 A 7.48 2.58 0.44 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 0.00 0.00 49 K 8.37 3.43 0.00 1.67 1.81 0.00 1.62 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.50 7.81 50 K 8.21 3.97 0.00 1.86 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.53 7.81 51 L 8.21 4.02 0.00 1.92 1.87 1.08 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.96 4.28 0.00 2.63 2.92 0.00 0.00 6.90 8.36 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 53 D 8.04 4.32 0.00 2.78 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 54 A 8.32 4.14 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 55 Q 8.47 4.26 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 56 A 7.21 4.24 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 57 P 0.00 4.68 0.00 2.17 2.07 0.00 3.50 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 1.97 2.10 0.00 58 K 8.15 4.13 0.00 1.71 1.67 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.43 7.81