NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4502 8.3049 120.3266 54.4174 34.2697 175.2761 2 K 4.4301 7.9121 117.5248 53.9649 33.8974 174.1060 3 K 4.6611 9.1232 122.8970 54.6458 36.4856 175.7860 4 R 4.5287 8.1384 120.7558 55.1881 31.7813 175.8425 5 L 4.3468 7.6529 115.8369 55.5573 42.3495 173.8678 6 T 4.5056 8.6262 118.2327 61.7732 70.2728 173.9190 7 I 4.5163 8.1694 119.1239 59.2116 40.3061 174.6822 8 T 4.6327 8.2053 116.8723 61.7571 70.9042 173.8178 9 L 4.8337 8.1190 124.5098 52.3276 46.0264 176.2205 10 S 4.1369 8.4783 115.2774 58.3748 62.4372 174.9294 11 E 4.1064 8.9379 127.7307 58.8935 29.6086 178.3510 12 S 4.3785 8.0673 112.7450 59.9363 63.2253 176.1427 13 V 3.6581 7.5812 119.4975 65.4972 31.2854 177.6404 14 L 3.9522 8.4152 120.7558 58.1284 41.4341 178.7921 15 E 3.9935 7.9162 117.6082 59.1410 29.3213 178.8788 16 N 4.3389 7.8735 117.5348 56.1903 38.9877 176.3692 17 L 3.8895 8.1096 122.2412 58.9373 42.0106 178.1455 18 E 3.7335 8.2448 117.8048 59.6680 29.3834 178.5488 19 K 3.7942 8.0031 117.9207 60.0816 32.4428 178.5058 20 M 3.9853 8.0876 118.1678 58.6186 31.9980 178.6287 21 A 3.9707 8.1873 120.6060 55.1439 18.5205 179.2869 22 R 3.7957 8.2614 117.4737 60.0623 29.9359 178.6857 23 E 4.0285 8.3392 116.7016 58.8710 29.5134 178.2457 24 M 4.4163 7.7955 116.4687 53.8919 32.7090 175.9306 25 G 4.0000 7.9767 107.3134 46.8007 0.0000 173.3878 26 L 4.7594 8.0386 117.5073 52.2967 44.8095 177.3637 27 S 4.5947 8.1080 115.1341 57.4417 65.6206 175.4165 28 K 3.9219 8.4061 121.7735 59.8404 31.8288 179.6510 29 S 3.8853 8.1492 114.6735 61.5401 62.7215 176.6095 30 A 3.9856 7.8383 122.9992 55.1109 18.2948 179.2505 31 M 3.9263 8.8859 117.9026 58.8494 32.2577 178.2537 32 I 3.6596 8.5731 120.9836 64.7853 37.3696 178.3269 33 S 4.0526 7.9888 115.6876 61.7562 62.6524 177.2178 34 V 3.5290 8.2754 120.7087 66.0216 31.3092 177.8159 35 A 4.0490 8.5997 120.7937 55.1862 18.1134 179.4703 36 L 3.9324 8.6738 117.7552 58.1338 41.6935 179.1522 37 E 3.9577 8.2275 118.2295 60.4903 29.5196 178.5399 38 N 3.9494 8.9209 114.9517 57.2453 38.6825 175.6121 39 Y 4.0319 8.5151 122.9269 60.8979 39.2474 178.3751 40 K 4.0385 8.2773 119.1650 60.0716 32.5200 177.9464 41 K 4.0280 8.3636 118.4601 59.6528 31.8570 179.1621 42 G 3.7503 7.8714 105.4741 46.8042 0.0000 173.4130 43 Q 4.1002 7.4675 126.1697 56.2391 29.2287 174.7955 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 M 8.30 4.45 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 K 7.91 4.43 0.00 1.81 1.72 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.47 7.81 3 K 9.12 4.66 0.00 1.69 1.66 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.41 7.81 4 R 8.14 4.53 0.00 1.79 1.84 0.00 3.24 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 5 L 7.65 4.35 0.00 1.68 1.57 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.63 4.51 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 7 I 8.17 4.52 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.63 0.90 0.00 0.00 8 T 8.21 4.63 4.23 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 1.20 0.00 0.00 9 L 8.12 4.83 0.00 1.56 1.49 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.48 4.14 0.00 3.84 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 11 E 8.94 4.11 0.00 2.03 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 2.38 2.32 0.00 12 S 8.07 4.38 0.00 3.91 3.82 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 13 V 7.58 3.66 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 1.05 0.00 0.00 0.92 0.00 0.00 14 L 8.42 3.95 0.00 1.82 1.63 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.92 3.99 0.00 2.23 1.98 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 2.33 2.42 0.00 16 N 7.87 4.34 0.00 2.88 2.97 0.00 0.00 6.70 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 17 L 8.11 3.89 0.00 1.92 1.90 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.24 3.73 0.00 2.36 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 2.32 2.41 0.00 19 K 8.00 3.79 0.00 1.89 1.91 0.00 1.71 0.00 0.00 1.96 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.51 7.81 20 M 8.09 3.99 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.58 0.00 21 A 8.19 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.26 3.80 0.00 2.09 2.11 0.00 3.10 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 23 E 8.34 4.03 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 24 M 7.80 4.42 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.54 0.00 25 G 7.98 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 26 L 8.04 4.76 0.00 1.56 1.57 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.11 4.59 0.00 4.04 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 28 K 8.41 3.92 0.00 1.78 1.89 0.00 1.69 0.00 0.00 1.90 0.00 0.00 2.92 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.53 1.47 7.81 29 S 8.15 3.89 0.00 3.86 3.92 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 30 A 7.84 3.99 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 31 M 8.89 3.93 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 32 I 8.57 3.66 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.77 0.90 0.00 0.00 33 S 7.99 4.05 0.00 4.17 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 34 V 8.28 3.53 2.32 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 1.02 0.00 0.00 0.99 0.00 0.00 35 A 8.60 4.05 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.67 3.93 0.00 1.90 1.75 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.23 3.96 0.00 2.32 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 2.36 2.50 0.00 38 N 8.92 3.95 0.00 2.83 3.06 0.00 0.00 6.92 7.42 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 39 Y 8.52 4.03 0.00 3.04 3.20 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 40 K 8.28 4.04 0.00 1.84 2.15 0.00 1.90 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.55 7.81 41 K 8.36 4.03 0.00 2.17 1.80 0.00 1.62 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.51 7.81 42 G 7.87 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 43 Q 7.47 4.10 0.00 1.87 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.49 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00