NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5047 8.1633 118.3270 55.2534 33.2832 173.9773 2 Q 4.9683 8.2353 119.3775 52.2344 32.6293 172.9692 3 I 4.6459 8.9003 115.6990 59.1504 41.6800 174.3806 4 F 4.9924 8.6886 123.7847 55.9216 40.1997 175.0215 5 V 4.2715 8.7976 125.1838 62.4402 33.1895 174.9960 6 K 4.9397 8.8355 126.3775 54.7746 34.7371 175.8407 7 T 4.5301 8.5878 116.1760 60.7193 70.6004 175.2415 8 L 4.5074 8.4229 121.8932 55.5795 41.4455 177.7601 9 T 4.4003 7.7763 115.5678 63.1441 69.8627 175.0917 10 G 4.0592 8.5443 109.5624 45.3706 0.0000 172.8500 11 K 4.6484 8.3312 120.1073 54.4410 35.1954 174.5847 12 T 5.1446 8.5717 123.1977 62.0268 70.7209 173.8843 13 I 4.5704 8.6232 125.9503 59.8242 40.7484 174.4470 14 T 4.6891 8.6787 123.7895 62.0250 69.8819 173.8175 15 L 4.6957 8.3445 126.7662 52.7262 45.1362 175.4399 16 E 4.7262 8.6199 123.0783 54.9236 30.7444 174.9591 17 V 4.5728 8.4241 119.6607 59.7476 36.1098 174.0944 18 E 4.6436 8.2972 119.9618 54.5704 32.1930 176.7530 19 S 4.4496 8.5224 112.2544 59.4703 62.3033 174.0594 20 S 4.6293 7.6436 111.5094 58.3972 63.6735 173.4192 21 D 4.5597 7.7923 121.4459 54.6206 41.6345 174.6206 22 T 4.9200 8.2145 111.8717 58.9282 73.1165 175.0029 23 I 3.6593 8.0115 122.3226 64.8584 37.0807 178.0333 24 D 4.7600 8.2004 119.4777 56.9483 40.7934 178.0760 25 N 4.2931 7.9457 117.1799 56.4970 38.9577 176.9684 26 V 3.5544 7.7026 119.7249 65.9169 31.5836 178.0901 27 K 3.9266 8.0041 117.8389 59.5190 31.9968 179.1680 28 S 4.1283 7.7843 114.5469 61.4158 62.7603 176.5854 29 K 3.8998 8.0503 122.0705 59.3559 31.8422 179.3168 30 I 3.7014 7.7458 119.9274 64.2519 36.6907 178.2350 31 Q 3.9351 8.0865 120.4296 59.3403 28.7619 177.7934 32 D 4.4415 7.9322 116.5921 56.6013 41.3252 177.5819 33 K 4.1454 7.8318 119.1597 58.2490 32.2106 177.6855 34 E 4.5436 10.0207 118.3199 57.9665 30.9975 176.3629 35 G 3.6884 7.8550 112.3148 46.0296 0.0000 172.7909 36 I 3.6575 7.3920 122.6059 60.4380 37.4337 173.9748 37 P 4.2007 0.0000 0.0000 62.6139 31.5954 175.5641 38 P 4.2318 0.0000 0.0000 65.4704 31.4920 177.6665 39 D 4.4389 8.0562 115.1680 55.6861 41.8195 175.4876 40 Q 4.6394 7.6431 115.6295 58.1128 31.1424 175.9469 41 Q 4.5572 8.1883 116.2960 57.1087 29.3004 176.2529 42 R 4.6991 8.8047 119.4559 54.5407 34.9101 174.3532 43 L 4.8090 8.5246 123.3800 54.6811 43.2949 175.9502 44 I 5.0401 8.6484 122.9346 59.7746 42.0206 174.3554 45 F 5.1374 9.1973 126.6350 57.7441 42.9391 174.0585 46 A 3.4170 9.5320 127.1872 52.8626 16.0904 176.8560 47 G 3.9841 8.3704 107.8179 46.4703 0.0000 174.5516 48 K 4.2240 7.9544 121.6459 55.2798 32.8433 175.3263 49 Q 4.4852 8.5602 128.2086 55.8765 29.8060 175.2706 50 L 3.4688 8.3980 127.1573 54.1228 42.1567 176.8482 51 E 4.1318 9.0386 125.3932 55.9794 30.6429 176.7806 52 D 4.3786 8.7755 124.1650 55.7077 42.1500 175.4402 53 G 4.1460 9.1356 117.4600 46.5542 0.0000 174.6214 54 R 4.1978 7.6555 117.8173 55.6830 30.7879 176.3362 55 T 5.0378 7.8968 109.0194 60.0077 71.2003 174.2350 56 L 4.3291 8.2542 119.1468 56.6673 42.1944 178.9140 57 S 4.2567 7.6552 112.9210 60.3690 62.5248 175.1705 58 D 4.3498 8.1070 118.1284 56.1246 41.1190 175.8333 59 Y 4.5907 7.7965 114.1871 57.2680 38.6712 174.7057 60 N 4.1448 8.0881 116.0484 54.2680 38.0079 173.6777 61 I 3.2397 7.5337 116.7066 61.1997 36.8307 176.2943 62 Q 4.3378 7.8144 125.8805 55.1609 30.5010 176.0521 63 K 4.2738 8.4605 117.0267 57.4301 33.1482 176.6930 64 E 4.0925 8.7640 119.7525 57.4423 27.9932 175.2387 65 S 4.3997 7.4370 113.8560 59.3942 64.2145 174.2875 66 T 4.7694 8.7522 120.1784 62.8814 68.0664 174.3243 67 L 4.8526 8.8735 126.9567 54.0892 44.0570 175.5774 68 H 5.4290 8.9845 117.5530 54.0038 32.7114 173.1064 69 L 5.0805 8.7447 122.5561 53.5840 44.2460 175.6228 70 V 4.5237 8.4358 126.6532 60.8055 34.3755 175.1511 71 L 4.6688 8.4801 126.7320 54.6209 42.0069 177.1388 72 R 3.9353 8.5389 121.8100 57.2604 30.5343 176.3090 73 L 3.7063 8.0946 122.0611 53.9263 42.4972 172.7862 74 R 4.6553 8.3306 120.8452 54.6942 32.1800 176.2016 75 G 4.1587 8.4976 111.3966 46.0785 0.0000 172.7832 76 G 3.7192 8.1653 114.4295 45.5130 0.0000 174.1715 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 8.16 4.50 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 2 Q 8.24 4.97 0.00 1.95 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.69 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 3 I 8.90 4.65 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.70 0.78 0.00 0.00 4 F 8.69 4.99 0.00 3.01 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 5 V 8.80 4.27 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 0.90 0.00 0.00 0.91 0.00 0.00 6 K 8.84 4.94 0.00 1.77 1.70 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.45 7.81 7 T 8.59 4.53 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 8 L 8.42 4.51 0.00 1.67 1.73 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.78 4.40 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 10 G 8.54 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.33 4.65 0.00 1.83 1.63 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.39 7.81 12 T 8.57 5.14 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 13 I 8.62 4.57 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.88 0.90 0.00 0.00 14 T 8.68 4.69 4.22 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 0.92 0.00 0.00 15 L 8.34 4.70 0.00 1.49 1.46 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.62 4.73 0.00 1.87 1.80 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 2.16 2.33 0.00 17 V 8.42 4.57 2.03 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 0.72 0.00 0.00 0.88 0.00 0.00 18 E 8.30 4.64 0.00 1.94 1.83 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 2.26 2.17 0.00 19 S 8.52 4.45 0.00 3.82 3.86 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 20 S 7.64 4.63 0.00 3.96 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 21 D 7.79 4.56 0.00 2.85 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 22 T 8.21 4.92 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 23 I 8.01 3.66 1.86 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.97 0.93 0.00 0.00 24 D 8.20 4.76 0.00 3.03 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.95 4.29 0.00 2.84 3.11 0.00 0.00 7.19 7.52 0.00 0.00 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 V 7.70 3.55 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.02 0.00 0.00 27 K 8.00 3.93 0.00 1.79 1.83 0.00 1.72 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.72 1.43 7.81 28 S 7.78 4.13 0.00 3.98 4.12 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 29 K 8.05 3.90 0.00 2.01 1.88 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.71 7.81 30 I 7.75 3.70 1.99 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 1.39 0.94 0.91 0.00 0.00 31 Q 8.09 3.94 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 32 D 7.93 4.44 0.00 2.70 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 4.15 0.00 1.93 1.77 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.60 7.81 34 E 10.02 4.54 0.00 1.91 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 2.26 2.34 0.00 35 G 7.85 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.39 3.66 2.06 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 1.42 0.85 0.92 0.00 0.00 37 P 0.00 4.20 0.00 2.22 2.06 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 38 P 0.00 4.23 0.00 2.17 2.09 0.00 3.59 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 39 D 8.06 4.44 0.00 2.61 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 40 Q 7.64 4.64 0.00 2.32 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 41 Q 8.19 4.56 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.76 0.00 0.00 0.00 0.00 0.00 2.66 2.36 0.00 42 R 8.80 4.70 0.00 1.85 1.79 0.00 3.12 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.84 0.00 43 L 8.52 4.81 0.00 1.52 1.50 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.65 5.04 1.93 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 1.12 1.25 0.91 0.00 0.00 45 F 9.20 5.14 0.00 3.00 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 46 A 9.53 3.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.37 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 48 K 7.95 4.22 0.00 1.91 1.91 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.61 1.57 7.81 49 Q 8.56 4.49 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 50 L 8.40 3.47 0.00 1.36 1.12 0.73 0.11 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 51 E 9.04 4.13 0.00 2.14 1.97 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 2.41 2.42 0.00 52 D 8.78 4.38 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.14 4.15 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 0.00 0.00 0.00 54 R 7.66 4.20 0.00 2.25 1.98 0.00 3.21 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 55 T 7.90 5.04 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 56 L 8.25 4.33 0.00 1.71 1.69 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.66 4.26 0.00 3.99 3.85 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 58 D 8.11 4.35 0.00 2.56 2.41 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 59 Y 7.80 4.59 0.00 2.96 3.07 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 60 N 8.09 4.14 0.00 2.86 3.01 0.00 0.00 7.14 9.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.53 3.24 1.85 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.67 0.49 0.00 0.00 62 Q 7.81 4.34 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 63 K 8.46 4.27 0.00 1.88 1.73 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.50 7.81 64 E 8.76 4.09 0.00 2.28 2.43 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 2.34 2.56 0.00 65 S 7.44 4.40 0.00 3.76 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 66 T 8.75 4.77 4.33 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 1.17 0.00 0.00 67 L 8.87 4.85 0.00 1.57 1.58 0.91 0.71 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 68 H 8.98 5.43 0.00 3.07 3.18 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.74 5.08 0.00 1.61 1.55 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.44 4.52 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 0.88 0.00 0.00 0.94 0.00 0.00 71 L 8.48 4.67 0.00 1.58 1.58 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.54 3.94 0.00 1.94 1.95 0.00 3.39 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 73 L 8.09 3.71 0.00 1.79 1.64 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.33 4.66 0.00 1.76 1.75 0.00 3.29 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 75 G 8.50 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.17 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