NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2861 8.3044 120.3156 55.6691 33.6955 174.4230 2 I 2.6242 7.1437 115.4583 60.2482 38.0016 167.8698 3 V 2.6889 8.2400 127.1592 61.8174 32.7467 173.1673 4 P 4.0715 0.0000 0.0000 63.2956 31.4380 177.0671 5 V 3.7999 8.4054 120.7170 61.8336 31.5822 175.6958 6 R 4.4426 7.2508 117.9184 55.8347 33.9358 173.5856 7 C 3.6385 8.3461 127.6488 60.8908 32.8333 172.2981 8 F 4.5391 9.1810 124.9150 59.4051 38.2506 179.0244 9 S 3.9331 8.4395 118.1093 61.1693 65.4273 175.6290 10 C 4.3260 7.5728 114.8513 58.9393 30.5305 174.4533 11 G 3.9730 7.7401 104.2287 44.6848 0.0000 174.0132 12 K 3.7896 8.1998 121.4360 56.6062 32.5636 175.9092 13 V 3.9820 8.2979 118.7273 61.7611 31.6538 176.4090 14 V 4.3316 8.2599 116.8390 60.6589 32.9354 177.6486 15 G 3.6956 8.2488 109.8941 48.3946 0.0000 174.2758 16 D 4.6309 7.9528 116.3184 53.7715 40.4023 176.7782 17 K 4.3607 7.8035 119.9154 56.5905 32.0316 178.1005 18 W 4.4613 8.0892 129.8823 59.3206 30.1175 178.9140 19 E 3.6941 7.5542 117.1989 59.0431 29.6321 179.9405 20 S 4.1500 8.0412 114.9528 61.6906 62.9356 175.9971 21 Y 4.0213 7.8576 121.6593 60.4182 38.3882 178.0717 22 L 3.6471 7.4492 119.9371 57.2659 41.7086 178.9996 23 N 4.2901 7.5495 115.6172 56.0930 38.2509 177.4731 24 L 4.5026 7.4372 120.9763 57.1216 41.6975 179.3399 25 L 3.9122 7.1204 118.5830 57.1700 41.6925 178.6277 26 Q 4.2348 7.7031 116.7513 58.2236 29.2904 177.5949 27 E 4.0512 8.0259 121.0292 57.6201 30.1760 176.8346 28 D 4.8669 7.6248 117.8651 52.8873 39.8761 178.1879 29 E 3.8795 7.5311 117.6168 58.0040 29.1609 174.9748 30 L 3.9482 7.4674 118.8108 54.7323 42.7197 176.5945 31 D 4.8879 8.1954 119.3276 51.7114 42.6582 177.0373 32 E 4.0382 8.8011 121.7443 59.9472 29.5565 180.1146 33 G 3.6241 8.0912 104.6789 48.1421 0.0000 175.2476 34 T 3.8856 7.5770 118.5140 66.3670 68.3768 176.3149 35 A 4.0069 8.1278 121.1062 55.2589 18.6775 179.4050 36 L 4.2377 8.1949 117.5253 57.9743 41.7212 179.8303 37 S 4.1196 8.1036 115.1077 61.7156 62.6619 176.7527 38 R 4.1986 7.8261 119.4960 58.7989 29.8112 177.4783 39 L 4.4154 7.6544 116.4789 54.5377 41.9539 177.3006 40 G 3.9040 8.3426 107.4106 46.1428 0.0000 175.1605 41 L 4.3638 7.6204 121.2819 53.2782 40.2350 176.3913 42 K 4.2124 8.0814 121.0959 58.6728 34.1569 178.6731 43 R 4.1662 7.6790 117.4436 54.7247 30.4289 176.6469 44 Y 4.3916 8.4960 120.8360 59.3390 37.5814 178.4510 45 C 4.2040 7.6748 117.2197 61.8242 29.9390 175.4710 46 C 4.2367 7.8691 116.9510 61.2978 27.6502 175.3042 47 R 4.1167 7.9082 120.8177 58.8981 29.9188 178.1374 48 R 3.8422 8.2264 116.1164 58.9237 29.4142 178.0617 49 M 3.7991 7.5013 118.3625 58.6355 32.1995 177.5331 50 I 4.1226 7.4924 118.2169 62.8481 37.8518 177.6806 51 L 4.0205 7.2443 120.6530 58.0621 42.0742 177.6563 52 T 4.2417 7.6471 112.1614 64.3498 68.7486 174.4533 53 H 4.2806 7.7043 122.3122 55.7555 30.3935 174.4869 54 V 4.0917 7.5791 124.8812 61.1669 34.1771 175.8772 55 D 4.4174 8.1590 130.8229 52.5290 40.1242 176.6379 56 L 3.6313 7.4411 122.5142 58.1323 42.0838 179.2291 57 I 3.5285 7.4957 117.3783 63.6030 37.6411 177.5058 58 E 4.0671 7.8228 118.8746 59.1374 29.5292 178.8244 59 K 4.1576 8.1173 118.9846 59.1197 32.2550 179.3763 60 F 4.9530 7.9080 117.8124 60.5351 38.7301 177.4593 61 L 4.3180 7.9342 117.5582 57.3833 41.4275 179.2222 62 R 3.9771 7.5532 117.3070 58.2284 30.3064 177.0962 63 Y 4.2092 6.8475 114.8512 57.8757 38.6166 175.5876 64 N 4.2167 9.4717 123.3652 57.3584 39.5310 173.0401 65 P 4.4486 0.0000 0.0000 62.6310 31.2510 174.7926 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 4.29 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.74 0.00 2 I 7.14 2.62 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.80 0.88 0.00 0.00 3 V 8.24 2.69 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 0.65 0.00 0.00 0.72 0.00 0.00 4 P 0.00 4.07 0.00 1.89 1.59 0.00 3.27 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.97 0.00 5 V 8.41 3.80 2.06 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 0.68 0.00 0.00 0.92 0.00 0.00 6 R 7.25 4.44 0.00 1.77 1.78 0.00 3.30 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.58 0.00 7 C 8.35 3.64 0.00 2.93 2.70 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 8 F 9.18 4.54 0.00 3.08 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 9 S 8.44 3.93 0.00 4.02 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 10 C 7.57 4.33 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 11 G 7.74 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 12 K 8.20 3.79 0.00 1.76 1.67 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.47 7.81 13 V 8.30 3.98 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 0.80 0.00 0.00 0.92 0.00 0.00 14 V 8.26 4.33 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 0.79 0.00 0.00 0.85 0.00 0.00 15 G 8.25 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 0.00 0.00 0.00 16 D 7.95 4.63 0.00 2.80 2.81 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 17 K 7.80 4.36 0.00 1.84 1.90 0.00 1.66 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.51 7.81 18 W 8.09 4.46 0.00 3.36 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 19 E 7.55 3.69 0.00 2.08 1.93 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 0.00 2.55 2.48 0.00 20 S 8.04 4.15 0.00 3.88 3.90 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 21 Y 7.86 4.02 0.00 3.06 2.91 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 22 L 7.45 3.65 0.00 1.61 1.48 0.24 0.26 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 23 N 7.55 4.29 0.00 2.86 3.17 0.00 0.00 6.93 6.62 0.00 0.00 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 L 7.44 4.50 0.00 1.42 1.61 0.93 1.03 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 25 L 7.12 3.91 0.00 1.39 1.49 0.55 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.70 4.23 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 27 E 8.03 4.05 0.00 1.92 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 2.28 2.21 0.00 28 D 7.62 4.87 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.53 3.88 0.00 2.16 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 2.20 2.22 0.00 30 L 7.47 3.95 0.00 1.59 1.60 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.20 4.89 0.00 2.84 2.75 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 32 E 8.80 4.04 0.00 2.13 2.23 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 2.51 2.51 0.00 33 G 8.09 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.58 3.89 4.55 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 1.20 0.00 0.00 35 A 8.13 4.01 1.19 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 0.00 0.00 36 L 8.19 4.24 0.00 1.99 1.79 1.06 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.10 4.12 0.00 4.07 3.93 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 0.00 0.00 0.00 0.00 38 R 7.83 4.20 0.00 1.82 1.98 0.00 3.23 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 39 L 7.65 4.42 0.00 1.89 1.73 1.13 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.34 3.90 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 0.00 41 L 7.62 4.36 0.00 1.88 1.65 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.08 4.21 0.00 1.87 1.93 0.00 1.56 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.41 7.81 43 R 7.68 4.17 0.00 1.85 2.02 0.00 2.87 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.41 0.00 44 Y 8.50 4.39 0.00 3.20 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.67 4.20 0.00 3.20 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.24 0.00 2.93 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 47 R 7.91 4.12 0.00 1.92 2.04 0.00 3.28 0.00 0.00 3.46 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 48 R 8.23 3.84 0.00 2.18 2.23 0.00 2.95 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 49 M 7.50 3.80 0.00 1.83 2.18 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 50 I 7.49 4.12 1.67 0.00 0.00 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 1.44 1.48 0.25 0.00 0.00 51 L 7.24 4.02 0.00 1.42 1.80 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.65 4.24 4.36 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 1.24 0.00 0.00 53 H 7.70 4.28 0.00 3.13 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.58 4.09 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 0.80 0.00 0.00 0.93 0.00 0.00 55 D 8.16 4.42 0.00 2.77 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 56 L 7.44 3.63 0.00 1.23 0.79 0.86 0.55 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 57 I 7.50 3.53 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.50 0.89 0.00 0.00 58 E 7.82 4.07 0.00 2.11 2.01 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 2.51 2.57 0.00 59 K 8.12 4.16 0.00 1.79 1.89 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.44 7.81 60 F 7.91 4.95 0.00 3.25 3.04 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 61 L 7.93 4.32 0.00 1.71 1.79 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.55 3.98 0.00 1.63 1.78 0.00 3.30 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 63 Y 6.85 4.21 0.00 3.08 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 64 N 9.47 4.22 0.00 2.71 2.87 0.00 0.00 7.27 7.69 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 65 P 0.00 4.45 0.00 2.18 2.33 0.00 3.91 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00