NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4551 8.2893 120.3489 55.1981 33.5289 175.3509 2 V 3.5480 8.5962 125.7336 63.0743 31.7356 174.7731 3 I 4.5035 7.9950 121.5100 58.5548 41.0066 175.3156 4 A 4.7660 9.0576 130.5609 50.4164 21.5861 177.3968 5 T 3.8618 8.3586 115.6225 67.0027 68.1473 176.6592 6 D 4.5473 8.1929 119.3997 57.4726 40.8562 178.0260 7 D 4.5626 8.1928 117.9409 55.7203 41.1762 176.8213 8 L 4.6154 8.1759 119.4200 55.5041 43.9351 176.4408 9 E 5.2003 8.1215 115.2501 54.4158 33.2512 175.8135 10 V 4.5247 8.7440 121.2227 60.6372 35.1697 174.6203 11 A 4.2995 8.8149 129.1270 52.4944 19.2371 176.5011 12 C 4.2729 9.0287 123.9925 58.5821 31.8953 172.8044 13 P 4.2987 0.0000 0.0000 65.6318 31.2495 177.8235 14 K 4.0378 8.2238 119.5395 59.1937 32.4436 177.0482 15 C 4.5249 8.0944 110.9117 56.9563 29.9773 173.1410 16 E 3.8630 8.8754 117.7461 57.7315 27.1870 175.7366 17 R 4.2811 8.3732 115.9564 56.2791 29.2914 176.4921 18 A 3.9942 8.2934 120.0674 56.0592 18.5169 179.3209 19 G 4.0574 8.9619 103.3240 45.1141 0.0000 172.6937 20 E 4.9959 7.5989 117.2650 54.6144 32.8059 175.6454 21 I 4.2249 9.0326 124.6260 60.3069 36.9829 175.4826 22 E 3.6914 9.5513 126.2220 57.7988 27.1647 175.4505 23 G 4.1233 7.4346 107.8988 46.5427 0.0000 175.8347 24 T 4.1528 7.8711 112.0453 59.5157 69.7537 172.1335 25 P 4.6935 0.0000 0.0000 62.6408 32.0018 175.7286 26 C 4.1451 8.7666 122.6972 59.3158 32.1918 172.5385 27 P 4.1256 0.0000 0.0000 65.7821 31.3971 178.1310 28 A 4.0267 8.1495 119.5649 55.6131 18.1834 178.6077 29 C 4.1835 7.9936 108.0281 58.8867 30.6014 173.2729 30 S 3.6370 8.2985 116.4980 59.7271 59.5498 172.8559 31 G 4.0327 8.0437 104.6428 46.0909 0.0000 173.9137 32 K 4.0941 7.7424 118.6095 56.3269 32.7760 179.5049 33 G 4.0933 8.3468 106.4890 45.4291 0.0000 173.0605 34 V 4.8394 7.4440 117.9124 61.1401 34.6049 174.7904 35 I 4.6257 8.8609 127.4357 59.6906 39.9424 174.5579 36 L 5.1307 8.4759 124.9605 53.7469 43.3295 176.7180 37 T 4.3416 8.7983 113.2263 61.0352 70.3645 175.4649 38 A 4.0176 8.8789 123.7549 55.6901 18.0981 179.5560 39 Q 4.0294 8.3165 117.4376 59.3097 28.9587 178.8451 40 G 3.6126 7.8666 106.6317 48.0499 0.0000 175.1088 41 Y 3.9316 8.2179 119.8858 60.9835 38.0692 178.7485 42 T 4.0479 8.1951 116.7185 66.9647 68.6291 176.3802 43 L 4.0901 7.7688 120.2724 57.7314 41.7878 179.0541 44 L 3.9127 8.0315 120.2690 58.3663 42.0118 178.6465 45 D 4.3555 8.8577 119.4467 57.4438 40.9542 178.2734 46 F 4.2674 8.1087 120.4285 61.6926 39.2782 177.1269 47 I 3.3192 8.3967 119.1648 64.4603 36.7849 177.9369 48 Q 3.8618 8.1614 119.3034 59.3385 28.7634 178.7736 49 K 3.9548 7.8003 119.1712 59.7046 32.4824 178.0153 50 H 4.5304 7.3680 112.8481 55.2300 29.4609 175.5721 51 L 3.9551 7.4432 123.8228 55.9624 42.4174 176.0773 52 N 4.2125 8.6502 121.9590 54.6952 35.9701 174.4000 53 K 4.1760 8.1066 121.8143 56.5787 32.5181 176.5438 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 8.29 4.46 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 2 V 8.60 3.55 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 0.71 0.00 0.00 0.93 0.00 0.00 3 I 8.00 4.50 1.87 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 1.35 0.96 0.91 0.00 0.00 4 A 9.06 4.77 1.24 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 0.00 0.00 0.00 5 T 8.36 3.86 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 6 D 8.19 4.55 0.00 2.63 2.76 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 7 D 8.19 4.56 0.00 2.87 2.73 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 8 L 8.18 4.62 0.00 1.66 1.67 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.12 5.20 0.00 1.80 1.81 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 2.17 2.25 0.00 10 V 8.74 4.52 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 0.97 0.00 0.00 0.95 0.00 0.00 11 A 8.81 4.30 1.24 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 0.00 0.00 0.00 12 C 9.03 4.27 0.00 3.03 2.96 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 13 P 0.00 4.30 0.00 2.22 2.18 0.00 3.83 0.00 0.00 3.74 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 14 K 8.22 4.04 0.00 1.74 1.88 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.43 7.81 15 C 8.09 4.52 0.00 3.13 3.12 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 16 E 8.88 3.86 0.00 2.11 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 0.00 2.26 2.22 0.00 17 R 8.37 4.28 0.00 1.93 2.18 0.00 3.24 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 18 A 8.29 3.99 1.29 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 0.00 0.00 0.00 19 G 8.96 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 20 E 7.60 5.00 0.00 1.91 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 2.20 2.30 0.00 21 I 9.03 4.22 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 1.30 1.24 0.91 0.00 0.00 22 E 9.55 3.69 0.00 2.11 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 0.00 2.21 2.29 0.00 23 G 7.43 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 0.00 0.00 0.00 24 T 7.87 4.15 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 25 P 0.00 4.69 0.00 2.20 2.10 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 26 C 8.77 4.15 0.00 2.96 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 27 P 0.00 4.13 0.00 2.22 2.07 0.00 3.68 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 2.11 2.08 0.00 28 A 8.15 4.03 1.30 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 0.00 0.00 0.00 29 C 7.99 4.18 0.00 3.11 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 30 S 8.30 3.64 0.00 4.03 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 31 G 8.04 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 0.00 0.00 0.00 32 K 7.74 4.09 0.00 2.03 1.96 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.50 7.81 33 G 8.35 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 34 V 7.44 4.84 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 0.89 0.00 0.00 0.98 0.00 0.00 35 I 8.86 4.63 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.68 0.98 0.00 0.00 36 L 8.48 5.13 0.00 1.62 1.58 0.38 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.80 4.34 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 1.24 0.00 0.00 38 A 8.88 4.02 1.35 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 39 Q 8.32 4.03 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 40 G 7.87 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.22 3.93 0.00 3.25 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 42 T 8.20 4.05 4.49 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 1.21 0.00 0.00 43 L 7.77 4.09 0.00 1.81 1.76 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.03 3.91 0.00 1.67 1.78 0.86 0.93 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 45 D 8.86 4.36 0.00 2.89 2.80 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 46 F 8.11 4.27 0.00 3.23 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 47 I 8.40 3.32 1.85 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.74 0.86 0.00 0.00 48 Q 8.16 3.86 0.00 2.03 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 49 K 7.80 3.95 0.00 1.76 1.93 0.00 1.79 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.84 1.28 7.81 50 H 7.37 4.53 0.00 2.78 3.13 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.44 3.96 0.00 1.67 1.51 0.88 0.90 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 52 N 8.65 4.21 0.00 2.87 2.88 0.00 0.00 6.90 7.61 0.00 0.00 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 K 8.11 4.18 0.00 1.71 1.67 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.39 7.81