NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4215 8.3049 120.3541 55.1646 33.3967 174.5678 1 K 4.1809 8.5497 125.7099 53.6802 33.2160 176.1127 2 S 4.5030 9.2404 120.4550 57.2667 66.3746 173.1925 3 P 4.2986 0.0000 0.0000 65.6283 31.1468 178.8830 4 E 3.9995 8.1328 117.1003 59.3140 29.3980 178.7843 5 E 3.9859 8.1273 118.9206 59.4108 29.7622 178.9075 6 L 4.1364 8.0975 119.0036 57.5993 41.5438 179.4169 7 K 4.1447 8.3367 119.9213 59.5062 32.1181 179.1416 8 G 3.6453 8.1346 105.6887 47.8256 0.0000 175.7945 9 I 3.9044 8.1613 122.3282 64.0309 37.0618 178.1641 10 F 4.1729 8.4902 121.4740 61.6166 39.1756 177.0841 11 E 3.9293 8.7026 118.3179 59.0552 28.9978 179.1968 12 K 3.7196 8.2001 119.2392 59.9290 32.5276 178.1996 13 Y 4.0775 7.9122 116.4806 60.6123 37.2920 177.8816 14 A 3.9973 8.0754 121.9841 54.7960 18.1686 179.0271 15 A 4.2862 7.3944 118.5472 53.2125 18.5371 179.0164 16 K 4.0563 7.6226 116.7083 58.7097 32.3342 177.2482 17 E 4.7533 8.7050 115.9229 54.8953 33.9449 177.9701 18 G 3.5597 8.5825 109.2939 46.1921 0.0000 174.4512 19 D 4.3198 8.6380 123.5845 54.0476 41.5609 175.2253 20 P 4.6331 0.0000 0.0000 63.6492 31.8820 176.9206 21 N 4.9649 8.4076 115.4557 53.3147 39.3167 174.3072 22 N 5.2666 7.6975 114.2506 51.2792 42.4906 173.5184 23 L 4.6327 8.4204 120.5958 53.5682 43.0639 177.8786 24 S 4.5536 9.1668 119.9914 57.2621 65.8875 175.0818 25 K 3.9626 8.4054 121.2038 59.6262 31.8407 178.4305 26 E 4.0030 8.1244 118.6107 59.3351 29.4267 178.9521 27 E 4.0706 8.3553 118.8114 59.1056 29.4006 179.0704 28 L 3.9227 8.1752 120.7616 57.7415 42.0369 178.8210 29 K 3.8580 8.1708 119.7047 59.6124 32.1716 178.7832 30 L 3.9241 7.6936 118.7115 57.4761 41.4285 179.1576 31 L 2.4400 7.5907 120.1753 57.7055 42.0094 179.0985 32 L 4.0577 7.9702 118.9380 58.0470 41.3883 179.5308 33 Q 4.0118 8.0124 116.8395 59.1203 28.6371 179.0365 34 T 4.0372 7.5232 115.7442 66.5193 68.8292 176.3233 35 E 4.0042 7.8985 118.4244 57.0132 31.3743 176.8399 36 F 5.0505 7.7621 116.2055 55.5252 39.5898 174.3035 37 P 4.3945 0.0000 0.0000 65.6714 31.8942 178.2343 38 S 4.3973 8.0299 113.7492 59.6292 63.5325 175.7979 39 L 3.9364 7.9358 122.4886 58.1610 42.1554 178.2966 40 L 4.1764 7.9754 117.9645 57.6227 41.8884 179.5842 41 K 3.9815 8.1708 117.2261 59.2611 32.0632 178.2089 42 G 3.7816 7.9511 105.9649 47.0016 0.0000 173.7506 43 M 4.3976 7.5784 119.8811 54.6282 33.2162 176.2315 44 S 4.8829 8.0940 115.9011 56.7772 67.1260 175.4964 45 T 3.8729 8.2729 119.6217 66.6469 68.2039 176.6954 46 L 3.9919 7.8920 121.7663 58.3140 42.1954 178.5406 47 D 4.4217 7.9738 118.3107 57.6562 40.7037 178.8033 48 E 4.0523 8.2901 119.0111 59.0341 29.4290 179.0912 49 L 3.9424 8.4381 121.0893 58.0324 42.0750 178.7239 50 F 3.9928 8.6708 120.9973 61.4939 39.1008 177.0052 51 E 3.9714 8.3096 116.9806 59.2541 29.2928 178.5348 52 E 4.0304 8.2630 118.9497 59.3388 29.7570 178.5922 53 L 4.1757 7.5438 117.8647 56.6019 43.1531 178.0444 54 D 4.4461 7.8085 119.9206 53.0298 38.2014 176.5254 55 K 3.9448 8.0340 122.7037 58.5056 32.0869 177.7985 56 N 4.6067 8.3522 114.5934 51.8825 37.6555 175.3967 57 G 3.8462 7.7065 106.7799 47.0800 0.0000 174.1707 58 D 4.5746 7.9481 114.1211 52.4945 39.8567 177.0329 59 G 4.1900 8.9940 108.0083 46.1691 0.0000 173.3531 60 E 4.8470 8.4445 117.6252 54.1758 32.9839 175.3158 61 V 4.3196 8.4550 122.4804 61.2670 32.7620 176.3299 62 S 4.6277 9.0820 123.5425 57.2043 65.6146 174.8281 63 F 4.3393 8.7249 123.1968 61.4668 38.7923 176.6391 64 E 3.8338 8.1978 115.8501 59.5078 29.3010 178.5427 65 E 4.0350 8.2041 119.5393 59.0530 29.5284 179.0860 66 F 4.2788 8.4995 120.8556 61.0311 39.3798 177.0211 67 Q 3.7555 7.6483 117.7837 58.7576 28.1384 178.8521 68 V 3.4639 6.9988 117.3253 66.1094 31.6308 177.5707 69 L 3.9321 7.6740 119.6553 57.6325 41.8835 178.9503 70 V 3.3911 7.0608 117.9775 65.7548 31.2788 177.8921 71 K 4.0522 7.7515 117.0388 58.6041 31.9656 178.7807 72 K 4.1476 7.5869 119.7068 57.7858 32.2476 177.0447 73 I 4.4387 7.5417 108.8288 60.1102 38.7535 174.7740 74 S 4.7451 7.8629 114.3919 56.6700 65.4480 173.5437 75 Q 4.2515 8.5435 122.3380 56.0970 28.9853 175.6685 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 0 M 8.30 4.42 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 1 K 8.55 4.18 0.00 1.97 1.83 0.00 1.81 0.00 0.00 2.06 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.54 1.78 7.81 2 S 9.24 4.50 0.00 4.21 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 3 P 0.00 4.30 0.00 2.19 2.14 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 4 E 8.13 4.00 0.00 2.07 2.02 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 2.41 2.44 0.00 5 E 8.13 3.99 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 6 L 8.10 4.14 0.00 2.03 1.78 1.14 0.69 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 7 K 8.34 4.14 0.00 1.87 2.02 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.53 7.81 8 G 8.13 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.16 3.90 2.22 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 1.70 0.79 1.16 0.00 0.00 10 F 8.49 4.17 0.00 3.22 3.30 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 11 E 8.70 3.93 0.00 2.12 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 2.58 2.77 0.00 12 K 8.20 3.72 0.00 1.61 1.80 0.00 1.57 0.00 0.00 1.31 0.00 0.00 2.78 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.60 1.15 7.81 13 Y 7.91 4.08 0.00 3.00 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 14 A 8.08 4.00 0.92 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 0.00 0.00 15 A 7.39 4.29 1.31 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 0.00 0.00 16 K 7.62 4.06 0.00 1.74 1.87 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.60 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.59 7.81 17 E 8.70 4.75 0.00 1.98 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 18 G 8.58 3.56 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 0.00 0.00 0.00 19 D 8.64 4.32 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.63 0.00 2.25 2.26 0.00 3.90 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 21 N 8.41 4.96 0.00 2.91 2.98 0.00 0.00 6.72 7.50 0.00 0.00 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 N 7.70 5.27 0.00 2.71 2.74 0.00 0.00 6.89 7.73 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 23 L 8.42 4.63 0.00 1.70 1.61 1.07 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 24 S 9.17 4.55 0.00 4.00 4.02 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 25 K 8.41 3.96 0.00 1.85 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.53 7.81 26 E 8.12 4.00 0.00 2.02 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 2.40 2.34 0.00 27 E 8.36 4.07 0.00 2.25 2.02 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 2.40 2.32 0.00 28 L 8.18 3.92 0.00 1.76 1.82 0.95 0.61 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 29 K 8.17 3.86 0.00 1.86 1.96 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 30 L 7.69 3.92 0.00 1.92 1.79 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.59 2.44 0.00 1.24 1.59 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.97 4.06 0.00 1.84 1.73 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.01 4.01 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 34 T 7.52 4.04 4.19 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 1.26 0.00 0.00 35 E 7.90 4.00 0.00 1.26 1.12 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 2.15 2.38 0.00 36 F 7.76 5.05 0.00 3.14 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 37 P 0.00 4.39 0.00 2.18 2.37 0.00 3.75 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 38 S 8.03 4.40 0.00 3.94 3.96 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 39 L 7.94 3.94 0.00 1.87 1.73 0.81 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.98 4.18 0.00 1.76 1.71 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.17 3.98 0.00 1.95 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 42 G 7.95 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.58 4.40 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.47 0.00 44 S 8.09 4.88 0.00 4.02 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 45 T 8.27 3.87 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 1.22 0.00 0.00 46 L 7.89 3.99 0.00 1.78 1.68 0.98 1.27 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 47 D 7.97 4.42 0.00 2.96 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 48 E 8.29 4.05 0.00 2.02 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 2.57 2.47 0.00 49 L 8.44 3.94 0.00 1.79 1.94 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.67 3.99 0.00 3.20 3.22 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 51 E 8.31 3.97 0.00 2.17 2.02 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 2.50 2.54 0.00 52 E 8.26 4.03 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 53 L 7.54 4.18 0.00 1.56 1.59 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.81 4.45 0.00 2.11 2.36 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 0.00 55 K 8.03 3.94 0.00 1.74 1.82 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.52 7.81 56 N 8.35 4.61 0.00 2.81 3.03 0.00 0.00 6.82 7.15 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 57 G 7.71 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 0.00 0.00 0.00 58 D 7.95 4.57 0.00 2.81 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.99 4.19 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 0.00 60 E 8.44 4.85 0.00 2.11 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 61 V 8.45 4.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.41 0.00 0.00 62 S 9.08 4.63 0.00 4.35 4.02 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 63 F 8.72 4.34 0.00 3.09 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.20 3.83 0.00 2.14 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 0.00 2.30 2.37 0.00 65 E 8.20 4.04 0.00 2.29 2.15 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 2.28 2.29 0.00 66 F 8.50 4.28 0.00 3.09 3.11 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 0.00 0.00 0.00 67 Q 7.65 3.76 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.52 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 68 V 7.00 3.46 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 0.71 0.00 0.00 0.85 0.00 0.00 69 L 7.67 3.93 0.00 1.54 1.12 0.82 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.06 3.39 2.02 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 0.99 0.00 0.00 0.75 0.00 0.00 71 K 7.75 4.05 0.00 1.70 1.80 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.44 7.81 72 K 7.59 4.15 0.00 1.64 1.95 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.40 7.81 73 I 7.54 4.44 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.82 0.87 0.00 0.00 74 S 7.86 4.75 0.00 3.80 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 75 Q 8.54 4.25 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.42 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00