NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9952 8.3393 109.7368 45.8486 0.0000 172.6427 2 S 4.4639 8.3216 114.5066 56.6606 65.6135 173.0809 3 S 4.1405 9.2173 119.3344 61.2292 63.7568 177.1565 4 G 4.0344 8.0974 105.5086 46.8294 0.0000 172.9254 5 S 4.8187 7.8244 111.6643 56.6215 67.1212 173.9837 6 S 4.7474 8.2533 116.9399 56.7298 66.7636 174.9334 7 G 3.6335 8.7491 110.9803 48.5956 0.0000 173.6828 8 H 4.8088 7.7535 117.0108 53.1174 30.8633 174.8668 9 E 4.3805 8.3135 121.4894 56.5421 30.3419 176.6931 10 D 4.5601 7.9678 116.2339 53.9026 42.4624 175.4778 11 F 4.8781 7.7014 116.1143 55.5479 42.6969 174.0529 12 C 3.8824 8.7384 124.1568 60.3308 31.6759 173.7019 13 S 4.5272 7.8291 120.2894 58.0740 62.5666 174.6922 14 V 4.6097 7.9305 117.0244 63.6210 36.7201 174.5217 15 C 4.5995 8.0069 111.2427 56.8555 31.4389 172.0706 16 R 3.8886 8.0485 120.2594 55.4761 25.9130 174.6742 17 K 4.7358 8.0015 120.1429 54.8583 36.7142 175.4472 18 S 4.8497 9.9359 113.8558 57.0836 64.9839 174.9329 19 G 3.7155 8.2242 108.4745 44.4585 0.0000 172.1580 20 Q 4.2074 8.2483 119.4451 55.8637 29.5118 175.1161 21 L 4.9247 8.0306 120.6181 52.6239 45.6856 176.0559 22 L 4.2492 8.3351 123.4778 55.2076 43.5132 175.3532 23 M 5.0863 8.3817 122.3219 53.6306 34.9899 174.9104 24 C 4.7415 8.3771 122.7976 58.3393 33.0372 172.7762 25 D 4.9411 7.8797 124.2502 54.0877 40.8766 176.7633 26 T 4.7219 7.4515 115.1059 64.1316 76.4400 175.4971 27 C 4.6141 7.6934 117.1408 57.1458 32.6130 173.3427 28 S 4.7115 8.2678 110.1435 56.6724 61.7281 172.8101 29 R 4.7144 7.5513 123.4586 55.4205 35.5238 174.9203 30 V 5.0162 7.6497 113.0530 59.0032 35.6955 174.3751 31 Y 4.9212 8.1929 120.0068 56.6483 42.4852 175.0556 32 H 4.8177 9.0082 120.8330 56.1493 29.6739 174.8564 33 L 4.2477 8.3887 118.1646 56.4368 42.0102 178.4891 34 D 4.7868 8.0358 116.2078 54.9585 42.4710 176.7167 35 C 4.5781 7.9007 118.5399 59.0593 27.1602 171.0119 36 L 4.8587 7.3179 118.8934 53.1549 45.1790 176.8023 37 D 4.4376 8.1828 118.7576 52.5987 41.5928 172.8453 38 P 4.5681 0.0000 0.0000 61.0634 32.3286 174.6780 39 P 4.4589 0.0000 0.0000 62.7327 31.7794 175.1761 40 L 4.8295 8.1788 119.2615 52.9344 44.1656 175.0436 41 K 4.3356 7.7445 118.4243 57.0632 34.6926 178.2319 42 T 4.3563 7.3001 111.0423 59.9475 71.4564 173.7476 43 I 3.7154 8.0543 123.0161 60.7269 36.7992 175.1786 44 P 4.4746 0.0000 0.0000 61.6154 29.2338 176.1733 45 K 3.8610 8.2062 125.7131 58.4827 32.9887 177.1772 46 G 3.9754 8.5339 107.2722 44.8136 0.0000 172.5305 47 M 4.0439 8.5763 119.4135 55.9541 31.5816 175.1978 48 W 4.7681 8.8254 135.0000 56.4562 33.0123 174.8989 49 I 4.5506 6.7285 125.5569 59.0121 40.2750 175.0427 50 C 3.3165 8.2166 121.6116 57.5900 29.8963 173.0159 51 P 4.2321 0.0000 0.0000 65.1512 30.7419 178.5854 52 R 4.0601 7.5794 117.1043 58.6263 30.1602 177.9884 53 C 4.2470 7.4644 115.6988 62.7306 28.5933 175.5292 54 Q 4.0354 7.9405 117.4997 57.7948 28.4029 177.0122 55 D 4.7525 6.8451 116.8339 52.9056 42.6180 176.5171 56 Q 4.1620 8.3605 118.2258 56.3722 28.8651 176.2322 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 G 8.34 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 2 S 8.32 4.46 0.00 4.03 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 3 S 9.22 4.14 0.00 3.88 3.99 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 4 G 8.10 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.82 4.82 0.00 3.81 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 6 S 8.25 4.75 0.00 3.79 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.75 3.63 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 0.00 0.00 0.00 8 H 7.75 4.81 0.00 3.07 3.21 0.00 5.90 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.31 4.38 0.00 1.89 1.95 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 2.32 2.30 0.00 10 D 7.97 4.56 0.00 1.60 1.99 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 11 F 7.70 4.88 0.00 2.95 2.83 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 12 C 8.74 3.88 0.00 2.51 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 13 S 7.83 4.53 0.00 3.88 4.04 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 0.00 0.00 0.00 14 V 7.93 4.61 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 0.92 0.00 0.00 1.14 0.00 0.00 15 C 8.01 4.60 0.00 3.12 3.05 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 0.00 0.00 0.00 16 R 8.05 3.89 0.00 1.98 1.99 0.00 3.16 0.00 0.00 2.83 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.81 0.00 17 K 8.00 4.74 0.00 1.82 1.77 0.00 1.77 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.46 7.81 18 S 9.94 4.85 0.00 4.03 3.94 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 0.00 0.00 0.00 19 G 8.22 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.25 4.21 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 21 L 8.03 4.92 0.00 1.42 1.49 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.34 4.25 0.00 1.62 1.44 0.68 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 23 M 8.38 5.09 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 24 C 8.38 4.74 0.00 3.29 2.98 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 25 D 7.88 4.94 0.00 2.94 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.45 4.72 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 1.20 0.00 0.00 27 C 7.69 4.61 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.27 4.71 0.00 3.96 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.55 4.71 0.00 1.85 1.52 0.00 3.23 0.00 0.00 3.49 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 30 V 7.65 5.02 1.95 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 1.18 0.00 0.00 0.76 0.00 0.00 31 Y 8.19 4.92 0.00 3.01 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 32 H 9.01 4.82 0.00 3.19 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.39 4.25 0.00 1.65 1.64 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.04 4.79 0.00 2.66 2.72 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 0.00 0.00 0.00 35 C 7.90 4.58 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 36 L 7.32 4.86 0.00 1.68 1.85 0.98 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.18 4.44 0.00 2.55 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 4.57 0.00 2.25 2.07 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 39 P 0.00 4.46 0.00 2.22 2.12 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 40 L 8.18 4.83 0.00 1.74 1.54 0.74 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.74 4.34 0.00 1.64 1.62 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.38 7.81 42 T 7.30 4.36 4.21 0.00 0.00 0.00 0.00 0.00 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 43 I 8.05 3.72 1.83 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 1.42 0.77 0.86 0.00 0.00 44 P 0.00 4.47 0.00 2.21 2.01 0.00 3.58 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 1.59 1.18 0.00 45 K 8.21 3.86 0.00 1.90 1.90 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.49 7.81 46 G 8.53 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 47 M 8.58 4.04 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 48 W 8.83 4.77 0.00 3.47 3.09 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 49 I 6.73 4.55 1.54 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 1.31 0.64 0.72 0.00 0.00 50 C 8.22 3.32 0.00 2.85 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.16 2.37 0.00 3.29 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.91 0.00 52 R 7.58 4.06 0.00 1.75 2.05 0.00 3.40 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 53 C 7.46 4.25 0.00 2.97 2.90 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 54 Q 7.94 4.04 0.00 1.90 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 55 D 6.85 4.75 0.00 2.87 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.36 4.16 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00