NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5082 8.3044 118.1944 55.2094 32.4048 173.6189 2 K 4.4205 8.5534 122.1558 56.5971 39.1123 174.6117 3 R 4.3946 8.5455 120.4536 56.5038 30.7833 176.1514 4 Q 5.1863 7.7520 115.1724 55.5710 29.2240 177.1590 5 K 4.0779 7.3716 120.5362 59.6297 32.3882 178.9967 6 R 3.8860 7.8294 118.4531 59.2426 30.0809 177.3863 7 D 4.5042 8.1784 118.4203 57.9636 40.9401 179.1610 8 R 3.9702 7.8160 115.3328 58.6260 29.5626 178.2415 9 L 3.8770 7.4389 119.3685 56.7682 40.5498 178.1875 10 E 3.9576 8.6366 120.2216 59.0621 29.4675 178.7051 11 R 4.2996 7.7349 116.7073 57.8853 30.5874 178.5742 12 A 3.8382 7.3654 120.3454 54.7985 18.3452 179.3430 13 Q 4.0634 8.5099 118.7779 59.6411 29.1587 178.8028 14 S 4.2953 7.5310 113.9113 61.3089 63.0007 176.3356 15 Q 4.2128 8.6638 122.9496 59.2395 28.9959 178.6097 16 G 2.3540 8.4110 107.0540 47.2957 0.0000 174.9568 17 Y 3.8996 7.4889 120.5149 60.4401 38.7869 178.2217 18 K 4.0032 8.2951 120.2825 59.4439 32.4025 178.5428 19 A 3.8398 8.6004 121.3898 54.6203 17.9891 179.8919 20 G 2.8995 7.4614 104.1693 47.4579 0.0000 175.6489 21 L 4.1002 7.3933 119.6497 57.0134 41.8820 178.1067 22 N 4.7982 8.9261 116.6610 54.7297 39.2042 177.2483 23 G 3.6857 7.8820 106.6041 45.6879 0.0000 173.2373 24 R 4.1180 7.4654 123.3585 56.7471 30.0990 176.2702 25 S 5.2975 7.6496 110.2453 56.7707 66.3286 174.5643 26 Q 4.1630 8.1279 118.2306 56.8692 28.6937 177.1562 27 E 3.8875 8.1172 118.3400 58.2080 29.8933 176.4697 28 A 4.6713 7.2559 121.6039 52.2767 19.4973 177.7852 29 C 3.3448 7.2342 116.7798 56.7786 28.6671 171.8220 30 P 4.6961 0.0000 0.0000 63.8209 33.5205 177.0611 31 Y 4.2464 7.9764 116.0425 59.4700 38.3731 178.6311 32 Q 4.3708 9.3079 129.9078 56.0429 30.9059 172.9920 33 Q 4.2671 7.5798 116.9573 57.5986 29.3042 178.3193 34 V 3.6008 7.3949 118.3595 66.5508 32.4099 178.4621 35 D 4.5149 8.1289 117.7080 56.9772 40.6523 178.2221 36 A 4.3064 8.0334 120.8679 54.3366 18.4216 179.3506 37 R 3.9593 8.0075 118.0742 59.9021 30.0309 178.9710 38 S 4.2588 7.9188 112.1968 61.4259 63.4201 174.4574 39 Y 4.2243 8.0646 119.8737 59.5292 38.2117 177.4564 40 W 4.3775 8.9707 128.9221 60.8000 31.2206 178.3043 41 L 4.4881 8.3963 119.9552 57.3954 41.6483 179.1484 42 G 3.7096 8.1439 105.9097 47.9384 0.0000 175.9350 43 G 3.7165 8.0402 108.2917 46.7643 0.0000 175.5377 44 W 4.3043 7.9293 131.9688 59.9959 30.7330 178.3554 45 R 3.8014 8.3995 117.8938 59.0197 29.5313 178.7025 46 D 4.2037 7.9739 117.2087 57.2092 41.3400 177.9605 47 A 3.3649 7.7822 121.5207 55.0034 18.1725 179.7628 48 R 3.4827 7.0946 115.8120 59.4185 30.1741 178.8268 49 D 4.3277 7.8823 116.7595 56.2708 41.0521 177.6405 50 E 3.9247 7.7972 120.0265 59.0682 29.5593 177.8794 51 K 3.9851 7.5589 117.2592 58.2058 32.5634 178.0667 52 Q 4.0955 8.0765 120.4445 59.0993 28.7895 177.8195 53 S 4.3255 8.1499 114.6779 61.0541 63.1189 176.4370 54 G 3.7164 7.4517 108.2993 46.6441 0.0000 174.2909 55 L 4.6003 7.3462 121.7100 53.9336 42.3617 178.0503 56 Y 4.5463 7.5844 119.9593 56.9727 37.5833 174.2189 57 K 3.9395 7.7914 125.0466 58.4125 33.3504 176.6877 58 L 4.4830 7.3360 116.7874 53.1789 43.1593 176.5399 59 E 4.2840 8.3908 118.0962 58.3288 30.4344 176.1199 60 H 4.2708 8.1305 123.4824 56.3784 29.9262 174.5061 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 4.51 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 2 K 8.55 4.42 0.00 1.76 1.78 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.49 7.81 3 R 8.55 4.39 0.00 1.92 1.83 0.00 3.26 0.00 0.00 3.33 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 4 Q 7.75 5.19 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.29 0.00 5 K 7.37 4.08 0.00 1.81 1.83 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.58 7.81 6 R 7.83 3.89 0.00 1.84 1.87 0.00 3.24 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 7 D 8.18 4.50 0.00 2.69 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 8 R 7.82 3.97 0.00 2.11 2.20 0.00 2.95 0.00 0.00 3.56 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 9 L 7.44 3.88 0.00 1.04 0.20 0.67 0.79 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 10 E 8.64 3.96 0.00 2.02 2.10 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 2.30 2.38 0.00 11 R 7.73 4.30 0.00 1.77 1.91 0.00 3.21 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 12 A 7.37 3.84 1.20 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 0.00 0.00 13 Q 8.51 4.06 0.00 2.55 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 14 S 7.53 4.30 0.00 4.00 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 15 Q 8.66 4.21 0.00 2.46 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.00 0.00 0.00 0.00 0.00 0.00 3.17 3.04 0.00 16 G 8.41 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.49 3.90 0.00 3.02 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 18 K 8.30 4.00 0.00 1.98 2.03 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.62 7.81 19 A 8.60 3.84 1.57 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 0.00 0.00 20 G 7.46 2.90 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 21 L 7.39 4.10 0.00 1.57 1.67 0.71 0.71 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 22 N 8.93 4.80 0.00 2.90 2.89 0.00 0.00 7.01 8.38 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 23 G 7.88 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 24 R 7.47 4.12 0.00 2.21 2.14 0.00 3.28 0.00 0.00 3.30 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 25 S 7.65 5.30 0.00 4.00 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 26 Q 8.13 4.16 0.00 1.76 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.97 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 27 E 8.12 3.89 0.00 1.90 1.99 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 2.25 2.26 0.00 28 A 7.26 4.67 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.23 3.34 0.00 1.65 1.18 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 0.00 0.00 0.00 0.00 30 P 0.00 4.70 0.00 1.84 1.92 0.00 3.31 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.74 0.00 31 Y 7.98 4.25 0.00 2.89 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 32 Q 9.31 4.37 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 33 Q 7.58 4.27 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 34 V 7.39 3.60 2.10 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 1.19 0.00 0.00 0.94 0.00 0.00 35 D 8.13 4.51 0.00 2.82 2.74 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 36 A 8.03 4.31 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.01 3.96 0.00 1.95 2.21 0.00 3.12 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 38 S 7.92 4.26 0.00 4.01 4.04 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 39 Y 8.06 4.22 0.00 3.32 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.97 4.38 0.00 3.48 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.49 0.00 1.97 1.88 0.95 1.38 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 42 G 8.14 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 0.00 0.00 0.00 43 G 8.04 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 44 W 7.93 4.30 0.00 2.79 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 45 R 8.40 3.80 0.00 1.99 2.02 0.00 3.31 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 46 D 7.97 4.20 0.00 2.99 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 47 A 7.78 3.36 0.22 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 48 R 7.09 3.48 0.00 1.42 1.58 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.78 0.00 49 D 7.88 4.33 0.00 2.79 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.80 3.92 0.00 2.21 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 2.29 2.31 0.00 51 K 7.56 3.99 0.00 1.69 1.69 0.00 1.78 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.39 7.81 52 Q 8.08 4.10 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 53 S 8.15 4.33 0.00 4.02 4.03 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 0.00 0.00 0.00 0.00 54 G 7.45 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 55 L 7.35 4.60 0.00 1.76 1.68 0.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 7.58 4.55 0.00 2.99 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 57 K 7.79 3.94 0.00 1.70 1.73 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.35 7.81 58 L 7.34 4.48 0.00 1.64 1.54 0.90 0.84 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 59 E 8.39 4.28 0.00 2.15 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 0.00 2.26 2.24 0.00 60 H 8.13 4.27 0.00 3.12 3.22 0.00 5.95 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00