NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.4431 8.0393 114.0078 61.5029 33.1137 174.1794 2 R 4.4431 8.7760 121.3064 54.8968 33.2703 172.2797 3 D 5.1801 8.9262 120.2975 54.3011 42.6271 177.4650 4 A 4.4440 8.7147 119.8956 51.0971 23.4738 175.5400 5 Y 4.4967 7.9505 119.2191 57.8646 38.5600 175.1594 6 I 4.3306 8.5407 125.7013 60.7287 38.8498 174.9420 7 A 4.8156 8.6339 130.2513 50.3932 21.4147 174.9611 8 Q 4.0255 7.1616 115.6581 54.4108 29.6369 176.3011 9 N 4.1262 6.5335 125.6654 52.0127 41.0138 172.6071 10 Y 3.9468 8.0493 123.9198 56.3574 41.5267 175.1526 11 N 4.3726 8.8571 123.5918 54.4382 37.7719 173.5296 12 C 4.9170 7.6325 113.3203 54.5652 42.5219 174.0571 13 V 4.2490 8.0395 117.3209 60.9458 32.2142 175.6235 14 Y 4.5552 8.4974 119.8331 57.8901 39.0666 175.4137 15 H 4.6384 8.7531 121.9665 55.5290 28.0914 176.8033 16 C 4.3761 7.7344 121.5580 55.8488 41.6699 172.5185 17 A 4.1063 7.6790 126.5394 53.9211 18.8151 178.6534 18 R 4.8596 7.5610 112.7618 52.9062 34.2783 175.5031 19 D 4.2683 8.9727 121.8609 57.7346 41.6052 178.4981 20 A 4.1040 8.3834 120.1742 55.6569 18.0310 178.4596 21 Y 4.1025 8.2157 117.7817 61.3313 38.6761 177.9651 22 C 4.2703 8.5857 119.0120 59.5922 44.2375 174.8098 23 N 4.2603 8.1721 118.2256 56.7224 38.4282 175.8874 24 E 3.8111 8.5778 120.8887 59.2390 29.7290 178.2906 25 L 3.6097 7.7612 120.1048 58.2907 42.1975 177.8380 26 C 4.3839 8.4752 120.0769 59.4520 41.9706 175.9764 27 T 3.8955 8.1003 111.1159 64.5415 68.0676 176.1949 28 K 3.8569 8.0228 122.2305 59.4100 32.3688 177.8707 29 N 4.5853 8.0845 114.9221 53.8136 38.1358 176.4138 30 G 3.8756 8.1620 108.9824 45.5373 0.0000 173.6067 31 A 4.4602 7.3499 121.6853 50.7813 20.1065 178.3208 32 K 4.1264 8.9068 119.3229 57.9068 32.2923 177.5223 33 S 4.7227 7.6109 112.5749 58.3721 65.5171 174.8087 34 G 4.5370 9.1864 108.0393 45.8572 0.0000 171.3967 35 S 4.9401 8.6195 112.2660 58.7231 66.7357 174.7629 36 C 5.6478 9.8515 119.1887 53.6081 42.2247 172.7293 37 P 4.0292 0.0000 0.0000 63.4661 29.4814 176.2691 38 Y 3.2230 8.3227 125.0511 59.2175 37.6924 176.1316 39 L 4.6331 7.2821 123.9135 52.4066 41.2161 175.1639 40 G 4.1010 7.3952 108.0117 44.7042 0.0000 170.3174 41 E 4.0534 8.8500 118.0457 58.4541 29.8559 177.2776 42 H 4.0465 9.2795 124.7383 55.0570 29.8886 170.6042 43 K 4.1251 7.9403 125.2180 56.6944 31.1249 175.3157 44 F 3.5628 8.7227 127.3054 58.6140 36.4383 173.6960 45 A 4.6707 7.3843 122.9769 50.3020 23.4705 177.1719 46 C 4.9951 8.6279 118.4450 55.2083 46.0734 171.8605 47 Y 4.9518 9.0129 129.1567 57.2545 39.7857 173.3841 48 C 5.5321 9.6416 126.4060 54.7467 48.4807 172.4708 49 K 4.9422 8.4625 122.1234 55.1699 35.6061 176.2370 50 D 4.5319 8.8430 121.8676 55.0558 38.5725 173.6037 51 L 4.1052 8.0817 122.1397 53.8925 42.6645 174.5116 52 P 4.6534 0.0000 0.0000 62.5339 31.9173 176.8283 53 D 4.3115 8.8075 120.5666 57.1997 41.4903 176.8200 54 N 4.2494 8.3929 116.8718 56.4618 38.8994 174.8408 55 V 3.8677 7.7388 117.8463 61.2860 31.9772 173.9595 56 P 4.5937 0.0000 0.0000 62.6325 32.1705 174.9187 57 I 4.6193 7.7892 111.6595 58.9341 40.1277 175.9603 58 R 4.3304 8.8154 124.6175 56.5149 29.3250 176.5866 59 V 3.9627 8.9316 120.4527 59.7538 32.4260 175.8536 60 P 4.6560 0.0000 0.0000 61.5993 30.2643 175.4732 61 G 3.7411 6.9931 119.1664 45.2366 0.0000 171.6160 62 K 4.2497 8.5273 126.7288 56.3526 32.7882 176.2941 63 C 4.8803 8.2505 118.5294 55.7038 47.4513 173.2013 64 H 4.6374 9.1677 123.2790 56.0304 28.6320 174.0741 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 4.44 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 0.94 0.00 0.00 0.93 0.00 0.00 2 R 8.78 4.44 0.00 1.84 2.01 0.00 2.79 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 3 D 8.93 5.18 0.00 2.56 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 4 A 8.71 4.44 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 7.95 4.50 0.00 2.87 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 6 I 8.54 4.33 1.96 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 1.43 0.84 1.15 0.00 0.00 7 A 8.63 4.82 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 0.00 0.00 0.00 0.00 0.00 8 Q 7.16 4.03 0.00 1.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.09 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 9 N 6.53 4.13 0.00 2.63 2.80 0.00 0.00 6.35 7.40 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 10 Y 8.05 3.95 0.00 3.01 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 11 N 8.86 4.37 0.00 2.92 2.99 0.00 0.00 7.33 7.93 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 12 C 7.63 4.92 0.00 2.85 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 13 V 8.04 4.25 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 0.60 0.00 0.00 0.98 0.00 0.00 14 Y 8.50 4.56 0.00 3.30 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.75 4.64 0.00 3.14 3.14 0.00 5.73 0.00 0.00 0.00 0.00 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 7.73 4.38 0.00 3.19 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.68 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.56 4.86 0.00 1.90 1.85 0.00 3.72 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 19 D 8.97 4.27 0.00 2.43 2.63 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 0.00 0.00 0.00 20 A 8.38 4.10 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.22 4.10 0.00 3.04 3.19 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 0.00 22 C 8.59 4.27 0.00 3.26 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.17 4.26 0.00 3.03 2.91 0.00 0.00 6.77 7.63 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 24 E 8.58 3.81 0.00 2.02 2.05 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 0.00 2.16 2.25 0.00 25 L 7.76 3.61 0.00 1.33 1.39 -0.04 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.48 4.38 0.00 3.02 3.32 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 0.00 27 T 8.10 3.90 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 1.30 0.00 0.00 28 K 8.02 3.86 0.00 1.85 1.84 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.54 7.81 29 N 8.08 4.59 0.00 2.90 2.81 0.00 0.00 6.97 6.89 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 30 G 8.16 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 0.00 0.00 0.00 31 A 7.35 4.46 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.91 4.13 0.00 1.82 1.95 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.40 7.81 33 S 7.61 4.72 0.00 3.95 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 34 G 9.19 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.62 4.94 0.00 3.90 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 36 C 9.85 5.65 0.00 2.51 3.23 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 0.00 0.00 0.00 0.00 37 P 0.00 4.03 0.00 2.36 2.39 0.00 4.04 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 38 Y 8.32 3.22 0.00 2.49 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 0.00 0.00 0.00 39 L 7.28 4.63 0.00 1.65 1.68 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.40 4.10 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 0.00 0.00 0.00 41 E 8.85 4.05 0.00 2.23 2.11 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 2.48 2.50 0.00 42 H 9.28 4.05 0.00 2.46 2.90 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.94 4.13 0.00 2.05 1.97 0.00 1.95 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.59 1.74 7.81 44 F 8.72 3.56 0.00 3.11 3.01 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 45 A 7.38 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 C 8.63 5.00 0.00 3.20 3.18 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 0.00 0.00 0.00 0.00 47 Y 9.01 4.95 0.00 3.23 2.68 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 48 C 9.64 5.53 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 49 K 8.46 4.94 0.00 1.72 1.56 0.00 1.87 0.00 0.00 1.50 0.00 0.00 2.43 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.36 1.41 7.81 50 D 8.84 4.53 0.00 2.88 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 51 L 8.08 4.11 0.00 1.73 1.57 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.65 0.00 2.26 2.16 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 53 D 8.81 4.31 0.00 2.65 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 54 N 8.39 4.25 0.00 2.71 2.89 0.00 0.00 6.94 7.73 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 55 V 7.74 3.87 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 0.82 0.00 0.00 0.95 0.00 0.00 56 P 0.00 4.59 0.00 2.27 2.14 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 57 I 7.79 4.62 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.02 0.95 0.00 0.00 58 R 8.82 4.33 0.00 2.10 2.03 0.00 3.37 0.00 0.00 3.21 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 59 V 8.93 3.96 2.11 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 0.90 0.00 0.00 1.02 0.00 0.00 60 P 0.00 4.66 0.00 2.15 2.06 0.00 3.79 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 1.99 1.97 0.00 61 G 6.99 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 0.00 0.00 0.00 62 K 8.53 4.25 0.00 1.72 1.79 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.52 1.51 7.81 63 C 8.25 4.88 0.00 3.03 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 64 H 9.17 4.64 0.00 3.31 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00