NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9069 8.3549 109.7366 45.5429 0.0000 174.4028 2 S 4.2171 8.5792 122.0119 57.8933 63.5436 171.1411 3 S 4.5181 7.7784 116.7479 58.0493 66.8540 175.5975 4 G 4.3417 7.6350 110.9836 44.5078 0.0000 172.5376 5 S 4.4832 7.9836 115.0701 56.2752 64.6132 173.5343 6 S 4.4769 8.9552 122.0003 57.3045 65.7340 174.0117 7 G 3.9715 8.8238 116.2741 44.5398 0.0000 174.4082 8 D 4.2111 7.6486 110.4914 53.2640 43.0647 173.8227 9 K 3.8821 8.6654 129.6449 56.9190 31.5515 175.0527 10 E 4.7635 8.2730 123.0818 55.4169 33.4989 174.6140 11 W 4.9999 8.5658 120.8694 55.7554 31.5398 175.6254 12 N 5.1917 8.7470 116.0585 50.6179 40.6873 174.7815 13 E 3.8560 8.7025 122.0998 59.7933 29.5678 179.2334 14 K 3.8641 8.2696 117.7084 59.8857 32.0091 178.7548 15 E 4.0029 9.6639 119.3990 59.8666 29.4519 178.6681 16 L 4.2395 8.7913 118.9626 58.3694 41.6511 179.3723 17 Q 3.8791 9.0740 117.2209 59.9817 28.3956 179.8160 18 K 3.9131 7.9685 119.9552 58.8713 32.0474 179.1935 19 L 4.1489 8.8558 121.5462 58.5934 42.1178 178.7266 20 H 4.2497 9.3251 117.1795 59.7800 28.1865 176.6036 21 C 3.8223 9.2077 120.1297 63.1451 31.0319 175.2798 22 A 4.1288 8.5751 121.2414 55.6756 18.0718 179.3253 23 F 3.7100 8.5751 117.4088 61.2750 39.2920 176.8985 24 A 4.2239 8.6023 119.7221 54.7327 19.0435 179.0369 25 S 4.2144 9.0569 112.5941 60.9901 63.4539 175.5059 26 L 4.3506 8.1341 121.3639 53.2524 42.3122 175.3335 27 P 4.2239 0.0000 0.0000 62.6386 31.9476 176.5191 28 K 2.6734 7.6898 118.0357 56.6072 32.3695 177.3044 29 H 4.3554 7.2303 113.5390 56.2877 29.1837 175.7882 30 K 4.2124 7.3409 119.6948 55.4894 31.9055 174.0347 31 P 4.3614 0.0000 0.0000 65.1529 32.4900 177.7794 32 G 3.9829 7.6563 105.9698 43.0272 0.0000 174.2390 33 F 4.1091 8.0596 123.9300 61.0624 39.6890 175.8622 34 W 4.2540 7.9501 118.0188 59.9206 28.7922 178.2985 35 S 4.3513 8.3176 112.2194 62.0036 62.2514 175.9305 36 E 4.0648 8.3788 122.2998 59.0683 29.3494 179.4051 37 V 2.9734 8.1463 112.7079 64.4433 31.7252 178.5565 38 A 4.1354 8.7185 120.4658 54.3901 17.9420 179.3880 39 A 3.8841 8.6305 120.1210 55.5778 18.6199 178.9650 40 A 4.0504 7.8846 118.2344 54.8031 18.8054 178.3491 41 V 4.0941 8.4538 114.4674 63.7114 31.6899 178.9976 42 G 3.9682 7.8930 109.2008 48.6372 0.0000 176.1068 43 S 4.0188 7.8756 114.1658 60.5621 62.8036 173.7068 44 R 4.3815 9.0652 117.3536 53.8287 33.8187 174.8418 45 S 4.6895 8.0402 114.1559 57.1527 65.3493 173.5830 46 P 4.4730 0.0000 0.0000 65.9318 31.3914 178.4016 47 E 3.6024 8.0853 117.6972 58.5890 29.4672 178.4426 48 E 4.2333 7.9181 118.2499 58.9036 29.9387 178.2493 49 C 4.3853 7.9517 116.3815 62.5137 28.0195 176.0889 50 Q 2.6285 6.2577 120.7829 58.7223 28.3872 178.0395 51 R 3.7369 6.8748 116.2056 59.1616 30.3504 178.7535 52 K 3.6586 8.2542 119.6098 59.3104 32.1470 177.9303 53 Y 3.8972 7.7487 119.6070 61.2773 38.4984 178.0843 54 M 4.0851 8.8388 119.7067 58.9183 31.8358 178.8483 55 E 4.0599 7.9207 117.3433 57.9008 31.0311 177.0276 56 N 4.7777 7.3018 117.0276 50.8939 38.7389 171.8310 57 P 3.2890 0.0000 0.0000 64.4180 32.4256 177.3009 58 R 4.7554 7.5427 113.0648 56.0717 37.3074 175.0415 59 G 4.1304 7.2590 104.6074 44.6309 0.0000 173.8884 60 K 3.8744 8.7517 123.3099 58.2244 32.4400 178.5612 61 G 3.8115 9.4131 106.4944 44.7057 0.0000 171.7774 62 S 4.4980 7.5417 115.0808 57.0970 65.6360 174.5241 63 Q 4.7268 8.5518 125.4452 54.2774 30.6885 175.1197 64 K 4.5391 8.2249 118.5763 55.5947 35.6661 174.9219 65 H 4.5643 8.7809 120.6780 56.9961 30.1839 175.4799 66 V 4.1802 7.4939 112.1151 60.9840 33.4653 176.2792 67 T 3.4533 8.4108 114.5996 64.4005 65.3000 172.4384 68 S 4.3517 7.8577 118.0500 58.1219 64.6707 177.7212 69 G 4.0744 8.3139 110.2269 44.4083 0.0000 171.7530 70 P 4.4164 0.0000 0.0000 62.3800 31.9891 175.9299 71 S 4.8725 8.5297 117.8154 56.7072 65.0817 172.7864 72 S 4.3559 8.6856 118.0674 60.3641 65.4679 174.2915 73 G 4.0480 8.2728 111.6710 45.6886 0.0000 172.9648 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 8.35 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 0.00 0.00 0.00 2 S 8.58 4.22 0.00 3.96 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 7.78 4.52 0.00 3.80 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 4 G 7.64 4.34 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 0.00 5 S 7.98 4.48 0.00 3.78 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 6 S 8.96 4.48 0.00 3.95 3.78 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 7 G 8.82 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.65 4.21 0.00 2.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.67 3.88 0.00 1.78 1.84 0.00 2.02 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.49 7.81 10 E 8.27 4.76 0.00 2.20 1.88 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 2.23 2.34 0.00 11 W 8.57 5.00 0.00 3.20 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 12 N 8.75 5.19 0.00 2.99 2.91 0.00 0.00 7.01 6.94 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 13 E 8.70 3.86 0.00 2.07 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 2.40 2.46 0.00 14 K 8.27 3.86 0.00 1.99 1.89 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.64 7.81 15 E 9.66 4.00 0.00 2.37 2.21 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 2.07 2.33 0.00 16 L 8.79 4.24 0.00 1.79 1.68 0.93 1.08 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 17 Q 9.07 3.88 0.00 2.27 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.83 0.00 0.00 0.00 0.00 0.00 2.68 2.48 0.00 18 K 7.97 3.91 0.00 2.05 1.98 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.67 7.81 19 L 8.86 4.15 0.00 2.08 2.10 1.35 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 20 H 9.33 4.25 0.00 3.22 3.44 0.00 5.73 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 21 C 9.21 3.82 0.00 3.03 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 22 A 8.58 4.13 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 23 F 8.58 3.71 0.00 3.16 3.42 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 24 A 8.60 4.22 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.06 4.21 0.00 3.96 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 26 L 8.13 4.35 0.00 1.70 1.74 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.22 0.00 1.20 1.76 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.93 0.00 28 K 7.69 2.67 0.00 1.16 1.01 0.00 1.19 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.37 0.21 7.81 29 H 7.23 4.36 0.00 3.12 3.32 0.00 5.72 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.34 4.21 0.00 1.92 1.81 0.00 2.06 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.42 7.81 31 P 0.00 4.36 0.00 2.20 2.06 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 32 G 7.66 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 33 F 8.06 4.11 0.00 2.79 2.65 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 34 W 7.95 4.25 0.00 3.40 3.15 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 0.00 0.00 0.00 0.00 35 S 8.32 4.35 0.00 4.06 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 36 E 8.38 4.06 0.00 2.10 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 2.33 2.58 0.00 37 V 8.15 2.97 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 -0.18 0.00 0.00 1.11 0.00 0.00 38 A 8.72 4.14 1.43 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 0.00 0.00 39 A 8.63 3.88 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.88 4.05 1.32 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 0.00 0.00 41 V 8.45 4.09 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 1.01 0.00 0.00 1.13 0.00 0.00 42 G 7.89 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.88 4.02 0.00 3.79 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 44 R 9.07 4.38 0.00 1.14 1.24 0.00 2.21 0.00 0.00 2.50 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 45 S 8.04 4.69 0.00 3.85 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 46 P 0.00 4.47 0.00 2.40 2.56 0.00 3.70 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 2.11 2.10 0.00 47 E 8.09 3.60 0.00 1.99 1.96 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 2.37 2.38 0.00 48 E 7.92 4.23 0.00 2.39 2.37 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 2.40 2.39 0.00 49 C 7.95 4.39 0.00 3.17 3.38 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 50 Q 6.26 2.63 0.00 0.93 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.52 0.00 51 R 6.87 3.74 0.00 1.77 1.90 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 52 K 8.25 3.66 0.00 0.79 0.93 0.00 1.10 0.00 0.00 0.95 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.89 7.81 53 Y 7.75 3.90 0.00 3.40 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 54 M 8.84 4.09 0.00 2.06 2.37 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.73 0.00 55 E 7.92 4.06 0.00 1.98 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 2.27 2.33 0.00 56 N 7.30 4.78 0.00 2.47 2.44 0.00 0.00 7.19 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 57 P 0.00 3.29 0.00 2.18 2.19 0.00 3.72 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 1.92 1.92 0.00 58 R 7.54 4.76 0.00 1.87 1.98 0.00 3.00 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 59 G 7.26 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.75 3.87 0.00 1.72 1.83 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.49 7.81 61 G 9.41 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 7.54 4.50 0.00 3.83 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.55 4.73 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.46 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 64 K 8.22 4.54 0.00 1.69 1.69 0.00 1.91 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.39 7.81 65 H 8.78 4.56 0.00 3.14 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.49 4.18 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 0.73 0.00 0.00 0.94 0.00 0.00 67 T 8.41 3.45 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 68 S 7.86 4.35 0.00 3.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.31 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.42 0.00 2.21 2.09 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 71 S 8.53 4.87 0.00 3.99 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 72 S 8.69 4.36 0.00 3.85 3.89 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 73 G 8.27 4.05 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 0.00 0.00 0.00