NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3505 8.1233 123.5821 51.6976 20.1054 177.4344 5 L 3.7891 8.6462 123.9465 57.5595 41.5971 178.0653 6 L 3.9185 8.6860 119.7378 57.7355 42.0342 179.3899 7 R 4.0413 7.8823 117.4217 59.5562 30.1887 178.7192 8 Q 4.0573 8.3707 117.8288 59.0937 28.5992 179.1029 9 A 3.6479 8.5317 122.2256 55.3669 18.2346 178.9903 10 Y 3.7795 8.4032 117.3974 60.7121 38.8698 178.3389 11 S 4.1809 8.4803 113.5101 61.2191 62.8298 175.4826 12 A 4.2749 7.8906 120.7735 53.1864 18.8803 176.8670 13 L 4.4126 8.0957 114.8526 55.1937 44.5700 177.7161 14 F 4.7192 7.7276 123.1374 59.6989 39.0766 176.3306 15 R 3.7905 6.8544 121.4182 57.7508 30.5497 176.6249 16 R 3.9488 7.6656 115.4719 56.7902 31.2473 177.6887 17 T 3.8750 8.7501 121.6516 66.5777 68.3933 176.6432 18 S 4.1674 8.0314 116.1073 61.7207 63.0040 176.3768 19 T 4.1174 7.8365 111.4676 63.3078 69.1822 176.0682 20 F 4.1736 8.5261 124.2068 61.5493 39.4320 176.3566 21 A 4.1541 8.1857 120.2426 55.3776 18.0947 179.2054 22 L 3.8777 7.9634 117.7364 58.3696 41.9731 179.7997 23 T 3.9600 7.8220 115.5687 66.5543 68.6141 176.8109 24 V 3.2047 7.4978 120.0106 66.9584 31.3488 177.3747 25 V 3.7694 7.8497 117.7987 65.2072 30.8942 177.2234 26 L 4.1157 8.2385 120.8754 58.6122 42.0963 179.1070 27 G 3.6851 9.2063 107.3408 46.3293 0.0000 175.2945 28 A 4.0333 9.0310 123.2862 55.1234 18.5315 179.5734 29 V 3.4156 7.8807 115.5947 66.6017 31.5281 177.9167 30 L 4.0014 7.8991 116.9779 57.8708 41.5945 179.1606 31 F 4.1281 8.1458 120.4105 62.3030 39.2595 175.9324 32 E 3.7895 9.4746 117.8740 58.6271 28.5239 179.5964 33 R 3.6791 7.9047 117.3473 58.9806 31.2634 178.3222 34 A 3.9200 8.4351 121.2259 55.0985 18.4893 178.8360 35 F 3.8852 8.5392 119.9437 61.8046 39.2072 176.8102 36 D 4.1715 8.1272 117.9315 57.7305 40.7307 179.0818 37 Q 4.0309 7.6839 117.1298 59.5895 28.7320 179.2675 38 G 3.5863 7.9346 105.7414 48.0463 0.0000 174.9513 39 A 3.8040 7.6788 122.8209 54.5773 18.3489 179.4386 40 D 4.2939 8.2902 117.1461 57.4760 40.9631 178.9590 41 A 3.9907 8.3707 121.3617 55.4322 18.1950 179.7675 42 I 3.6789 8.6193 119.3564 64.0869 36.8904 178.4259 43 F 4.3163 8.2555 121.5787 61.1939 39.3156 177.4786 44 E 3.9025 8.8223 117.0440 59.2636 29.2278 178.6612 45 H 4.3527 8.0240 117.8762 58.9846 30.1846 176.8951 46 L 4.2237 7.5152 118.4402 56.1111 41.9788 176.7430 47 N 4.9854 7.6024 116.8114 52.1705 39.2651 174.4746 48 E 3.9739 8.0987 117.1254 57.6965 30.4031 177.6229 49 G 4.0300 8.8685 109.4733 46.3437 0.0000 174.1555 50 K 4.5183 7.7923 117.1171 55.6094 34.3244 176.5098 51 L 4.5278 7.4521 119.1217 53.0094 43.0208 177.2955 52 W 3.8447 8.8763 131.1278 60.6516 30.2308 178.1945 53 K 3.8818 8.0966 117.9532 58.9029 31.6865 177.5343 54 H 4.5899 8.5084 116.4974 58.0984 29.4708 177.1205 55 I 3.7902 7.7478 121.0145 63.8683 37.1086 178.8609 56 K 3.2178 7.3893 121.5703 59.1786 32.0123 177.5605 57 H 4.3707 7.7859 113.6403 57.4956 28.7088 176.6081 58 K 3.9873 8.1130 119.1412 57.9794 32.0264 177.0683 59 Y 4.6375 7.5634 113.2985 58.0726 40.6733 175.9272 60 E 4.1755 8.0945 118.7953 55.7094 27.2131 174.5473 61 A 4.0542 8.2703 124.6568 52.4306 18.8149 177.9979 62 S 4.1810 8.3787 116.5325 59.1087 62.9774 174.0377 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 4 A 8.12 4.35 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 5 L 8.65 3.79 0.00 1.78 1.73 0.92 0.35 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 6 L 8.69 3.92 0.00 1.71 1.77 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.88 4.04 0.00 2.01 2.00 0.00 3.14 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 8 Q 8.37 4.06 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 9 A 8.53 3.65 1.05 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 0.00 0.00 10 Y 8.40 3.78 0.00 3.05 3.20 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 11 S 8.48 4.18 0.00 4.02 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.89 4.27 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 13 L 8.10 4.41 0.00 1.08 1.22 0.66 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.73 4.72 0.00 2.94 3.13 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 0.00 0.00 0.00 15 R 6.85 3.79 0.00 1.42 1.60 0.00 3.34 0.00 0.00 3.21 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 16 R 7.67 3.95 0.00 1.90 1.88 0.00 3.18 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 17 T 8.75 3.87 4.23 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 1.12 0.00 0.00 18 S 8.03 4.17 0.00 4.06 4.13 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 0.00 0.00 0.00 19 T 7.84 4.12 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 20 F 8.53 4.17 0.00 3.14 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 21 A 8.19 4.15 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 22 L 7.96 3.88 0.00 1.77 1.91 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.82 3.96 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 24 V 7.50 3.20 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 0.98 0.00 0.00 0.90 0.00 0.00 25 V 7.85 3.77 2.24 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 0.99 0.00 0.00 0.95 0.00 0.00 26 L 8.24 4.12 0.00 1.77 1.66 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 27 G 9.21 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 28 A 9.03 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.88 3.42 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 1.05 0.00 0.00 1.01 0.00 0.00 30 L 7.90 4.00 0.00 1.96 1.77 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.15 4.13 0.00 3.15 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 9.47 3.79 0.00 2.11 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 2.56 2.40 0.00 33 R 7.90 3.68 0.00 2.03 2.01 0.00 3.15 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 34 A 8.44 3.92 1.36 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 0.00 0.00 35 F 8.54 3.89 0.00 1.87 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 36 D 8.13 4.17 0.00 2.82 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 37 Q 7.68 4.03 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 38 G 7.93 3.59 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 0.00 0.00 0.00 39 A 7.68 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.29 4.29 0.00 2.87 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 41 A 8.37 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.62 3.68 1.88 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 1.38 0.86 0.93 0.00 0.00 43 F 8.26 4.32 0.00 3.18 3.24 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 44 E 8.82 3.90 0.00 1.98 2.05 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 2.48 2.65 0.00 45 H 8.02 4.35 0.00 3.24 3.48 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.52 4.22 0.00 1.79 1.62 1.00 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 47 N 7.60 4.99 0.00 2.21 2.51 0.00 0.00 6.85 8.46 0.00 0.00 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 8.10 3.97 0.00 1.87 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 2.38 2.10 0.00 49 G 8.87 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 50 K 7.79 4.52 0.00 1.81 1.81 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.53 7.81 51 L 7.45 4.53 0.00 1.40 1.53 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.88 3.84 0.00 3.35 3.09 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 53 K 8.10 3.88 0.00 1.81 1.77 0.00 1.84 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.54 7.81 54 H 8.51 4.59 0.00 3.18 3.24 0.00 5.72 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.75 3.79 1.72 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 1.53 1.04 1.00 0.00 0.00 56 K 7.39 3.22 0.00 1.40 1.43 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.19 0.85 7.81 57 H 7.79 4.37 0.00 3.33 3.50 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.11 3.99 0.00 1.75 1.26 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.38 7.81 59 Y 7.56 4.64 0.00 2.74 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 60 E 8.09 4.18 0.00 2.05 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 0.00 2.47 2.37 0.00 61 A 8.27 4.05 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.38 4.18 0.00 3.93 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