NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1656 8.2644 123.5814 51.4567 19.8115 176.3467 2 K 3.6818 8.4546 123.1283 56.6692 31.5059 171.1693 3 G 3.9528 8.8532 122.4183 44.6610 0.0000 171.1558 4 I 3.8206 8.1611 124.7694 61.6151 36.0752 174.2248 5 R 4.7965 7.3428 122.1557 57.4929 37.7400 176.7470 6 E 4.2071 7.7244 117.7885 55.2582 30.6683 176.5994 7 K 4.0222 8.3533 118.9796 56.8034 31.6591 177.1630 8 I 3.9286 7.6071 124.1671 60.4073 38.7988 176.9668 9 K 4.3224 8.2670 128.2137 54.9690 30.1896 175.7192 10 L 3.9396 7.8375 121.1105 54.8338 42.4957 178.8944 11 V 3.3112 8.7618 122.7199 64.8412 31.4404 176.3181 12 S 3.4112 7.3771 106.6560 59.6541 59.6677 171.6853 13 S 4.5861 8.1288 121.4893 57.3441 65.2853 173.5876 14 A 3.6138 7.2171 124.7137 50.8270 18.1344 178.2100 15 G 3.9890 7.9293 104.3505 48.5100 0.0000 173.5493 16 T 3.4102 8.6382 108.1884 62.2838 65.6159 171.6177 17 G 4.0857 6.9051 122.4478 44.4319 0.0000 171.4897 18 H 4.6414 8.2483 120.9210 54.5016 29.7092 173.2710 19 F 3.8453 7.5602 121.8219 58.3911 39.8766 173.2434 20 Y 4.3274 8.1809 118.5287 59.0867 40.1411 172.9360 21 T 3.2770 8.2827 129.2850 62.9833 65.7856 172.0712 22 T 3.9305 9.1573 117.0865 65.9282 69.2203 177.4993 23 T 3.6356 6.7548 117.9618 61.5459 64.2295 172.3660 24 K 4.3764 7.7523 122.4426 56.7942 34.7850 177.0970 25 N 5.0324 8.2743 117.3154 52.2950 42.7906 172.9305 26 K 4.8701 8.8242 119.4654 55.7867 35.1579 176.4630 27 R 5.3114 8.2221 116.2933 55.3773 30.4445 176.6599 28 T 3.9875 8.0395 117.9312 66.6120 68.6794 176.0713 29 K 4.2948 7.9762 119.1640 56.9231 33.4716 174.5377 30 P 5.1037 0.0000 0.0000 61.0944 34.4150 173.6716 31 E 4.7263 8.4180 115.5549 57.1308 31.2091 172.6912 32 K 4.0516 8.6523 119.9701 57.7752 30.4362 176.1230 33 L 4.3322 7.5656 122.0614 54.4294 41.7568 177.3024 34 E 4.7611 8.2849 123.7793 55.1879 30.8431 173.0295 35 L 5.8153 7.7705 121.1399 51.9501 44.8031 176.7366 36 K 4.4048 7.8372 117.1389 55.9585 34.6094 173.8267 37 K 4.1750 7.9773 114.6133 54.4568 34.7132 172.3097 38 F 3.1187 7.5755 126.5317 57.3680 40.5246 174.0664 39 D 5.1216 7.6987 125.4399 50.8049 41.2258 174.1825 40 P 4.9034 0.0000 0.0000 62.2024 32.0043 176.6546 41 V 3.8269 9.5505 116.5290 63.9995 31.7109 176.5618 42 V 4.3932 7.6217 116.5479 62.0184 34.1890 177.1478 43 R 3.9304 8.4893 121.3365 57.1195 27.5376 174.9628 44 Q 4.5211 8.3262 114.1891 58.0144 32.1110 174.4953 45 H 4.5843 8.0022 117.4011 54.4763 31.9278 173.7334 46 V 3.2597 9.1199 127.3864 62.5772 32.5408 173.5538 47 I 3.0457 8.4899 117.2939 63.0467 34.6819 171.2844 48 Y 4.0716 8.8198 117.0978 59.0761 33.7988 169.1552 49 K 5.0729 7.9517 117.3336 54.5494 33.6091 174.4722 50 E 3.8282 8.0750 124.3746 55.7614 30.6460 174.3468 51 A 4.6865 8.1600 127.0815 51.2664 20.3265 176.2502 52 K 4.6469 8.3243 114.7004 55.1257 35.5563 176.4915 53 I 4.4692 7.9883 124.4999 59.2177 39.4701 175.7550 54 K 4.1183 8.4510 122.7988 56.8123 32.0582 176.6991 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 A 8.26 4.17 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.45 3.68 0.00 1.79 1.78 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.56 7.81 3 G 8.85 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.16 3.82 1.87 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 1.41 0.85 0.91 0.00 0.00 5 R 7.34 4.80 0.00 1.79 1.81 0.00 3.31 0.00 0.00 3.88 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 6 E 7.72 4.21 0.00 1.96 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 2.31 2.33 0.00 7 K 8.35 4.02 0.00 1.75 1.90 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.43 7.81 8 I 7.61 3.93 1.87 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 1.18 1.01 0.96 0.00 0.00 9 K 8.27 4.32 0.00 1.75 1.73 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.46 7.81 10 L 7.84 3.94 0.00 1.74 1.61 0.98 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.76 3.31 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 0.73 0.00 0.00 0.90 0.00 0.00 12 S 7.38 3.41 0.00 4.37 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 13 S 8.13 4.59 0.00 3.81 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.22 3.61 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.93 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 0.00 0.00 0.00 16 T 8.64 3.41 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 17 G 6.91 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 0.00 0.00 0.00 18 H 8.25 4.64 0.00 3.10 3.25 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.56 3.85 0.00 2.86 2.52 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 0.00 0.00 0.00 0.00 20 Y 8.18 4.33 0.00 3.03 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.28 3.28 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 1.19 0.00 0.00 22 T 9.16 3.93 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 23 T 6.75 3.64 4.30 0.00 0.00 0.00 0.00 0.00 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 24 K 7.75 4.38 0.00 1.96 1.98 0.00 1.42 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.54 7.81 25 N 8.27 5.03 0.00 2.69 2.71 0.00 0.00 6.40 7.68 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 26 K 8.82 4.87 0.00 1.71 1.77 0.00 1.40 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.30 1.46 7.81 27 R 8.22 5.31 0.00 1.89 2.00 0.00 2.81 0.00 0.00 3.88 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 28 T 8.04 3.99 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 29 K 7.98 4.29 0.00 1.74 1.84 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.35 7.81 30 P 0.00 5.10 0.00 2.24 2.09 0.00 3.46 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 31 E 8.42 4.73 0.00 2.05 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 2.18 2.27 0.00 32 K 8.65 4.05 0.00 1.94 1.99 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.45 7.81 33 L 7.57 4.33 0.00 1.62 1.64 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.28 4.76 0.00 2.01 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 2.44 2.40 0.00 35 L 7.77 5.82 0.00 1.68 1.58 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.84 4.40 0.00 1.83 1.74 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.61 7.81 37 K 7.98 4.17 0.00 1.66 1.65 0.00 1.85 0.00 0.00 1.61 0.00 0.00 2.70 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.25 7.81 38 F 7.58 3.12 0.00 2.87 1.62 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 39 D 7.70 5.12 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.90 0.00 2.67 2.41 0.00 3.64 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 41 V 9.55 3.83 2.08 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 0.72 0.00 0.00 0.71 0.00 0.00 42 V 7.62 4.39 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 0.85 0.00 0.00 0.95 0.00 0.00 43 R 8.49 3.93 0.00 2.09 1.94 0.00 3.39 0.00 0.00 3.25 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 44 Q 8.33 4.52 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.49 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 45 H 8.00 4.58 0.00 3.07 3.00 0.00 5.91 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 9.12 3.26 2.12 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 0.74 0.00 0.00 0.96 0.00 0.00 47 I 8.49 3.05 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.78 0.95 0.00 0.00 48 Y 8.82 4.07 0.00 3.17 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 49 K 7.95 5.07 0.00 1.81 1.87 0.00 1.20 0.00 0.00 2.28 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.40 7.81 50 E 8.07 3.83 0.00 2.12 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 2.18 2.28 0.00 51 A 8.16 4.69 1.22 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 0.00 0.00 0.00 52 K 8.32 4.65 0.00 1.64 1.62 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.48 7.81 53 I 7.99 4.47 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 1.28 0.73 0.90 0.00 0.00 54 K 8.45 4.12 0.00 1.68 1.68 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.48 7.81