NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6852 8.3249 119.4584 57.4284 40.3741 173.6971 2 E 4.6172 8.4213 120.7094 53.3822 33.1116 173.9365 3 N 4.5907 9.5162 121.3056 53.8542 40.1856 174.6695 4 R 4.7186 8.4118 124.6737 55.6386 31.8684 178.0165 5 V 3.5680 8.2888 118.8261 66.2464 31.4711 177.1417 6 A 4.3016 8.0877 121.3431 54.7680 17.9161 179.3653 7 E 3.8897 8.1083 116.0538 59.6672 29.7062 179.6161 8 K 4.0059 7.8291 118.3861 59.4874 31.9062 179.5507 9 Q 4.1098 8.8530 119.3935 58.7731 28.4321 178.5339 10 K 3.9474 8.0505 119.7869 59.2706 32.4085 178.3487 11 L 3.9341 8.1033 120.8979 58.2615 41.8310 178.9709 12 F 4.3563 8.0043 115.7094 59.5606 39.0034 176.7596 13 Q 4.5598 7.7713 115.6591 54.5078 29.0816 175.2212 14 E 3.8460 7.2421 122.3060 56.3496 30.2670 177.3490 15 D 4.6976 8.6270 129.0805 54.6971 39.0109 175.4129 16 N 4.6593 7.8634 115.0168 51.8950 38.7535 176.1326 17 G 3.8916 8.0045 106.3543 46.6225 0.0000 173.1640 18 L 4.5700 7.5264 118.9801 51.7994 43.3313 175.1895 19 P 4.4310 0.0000 0.0000 62.2336 32.3369 177.5606 20 V 3.8061 8.6424 120.6949 65.3093 31.0195 177.5505 21 H 4.5623 8.1768 113.4990 56.8206 28.7922 175.4020 22 L 4.6612 8.1272 119.1449 54.1083 43.0575 178.0130 23 K 4.0747 7.7054 118.9280 58.6568 32.3118 178.0400 24 G 3.8053 8.4749 107.3299 46.9521 0.0000 174.3759 25 G 3.6235 6.9991 106.6535 44.9460 0.0000 173.5026 26 A 3.8178 8.4056 121.0645 55.1300 18.3412 180.2033 27 T 3.8220 7.8858 114.2135 66.9664 68.6279 175.9576 28 D 4.4589 8.2511 120.2273 57.8378 40.9113 178.7706 29 N 4.4834 7.7937 116.2896 56.3081 38.4115 177.5791 30 I 3.6978 7.6142 120.9773 64.2205 37.2241 177.7990 31 L 3.9258 8.1054 121.2911 58.6335 41.8047 178.2509 32 Y 4.1223 8.1271 118.8953 61.1496 38.7183 178.4181 33 R 3.5775 8.0210 118.5185 59.0969 30.0270 179.2402 34 V 3.5004 8.0733 118.3019 66.2343 31.6160 177.9247 35 T 3.7958 8.0592 115.6393 67.1104 68.4057 176.2021 36 M 3.9011 8.2544 120.0042 58.7593 32.0869 178.3662 37 T 3.7772 7.8852 115.8872 66.5463 68.6073 176.4172 38 L 3.9478 8.0167 120.9815 58.0817 41.5949 179.3740 39 C 4.1418 8.0780 116.2641 62.9274 28.0572 176.2216 40 L 4.0891 8.3995 120.8971 57.6849 41.1390 179.9197 41 G 3.6518 8.7354 106.0862 47.8869 0.0000 175.7744 42 G 3.8657 8.6459 109.4822 47.8518 0.0000 175.7520 43 T 3.9339 8.3381 118.1940 66.4709 68.3616 176.8217 44 L 4.1059 8.2214 121.1139 57.7421 41.4972 179.1115 45 Y 4.3893 8.3785 120.1758 60.9128 38.7918 177.9358 46 S 3.9308 8.3886 115.4247 61.4754 62.8406 176.4869 47 L 3.9837 7.9431 122.1735 57.6576 41.4030 178.6778 48 Y 4.1477 7.8868 119.2814 61.1110 38.7625 177.9252 49 C 3.8913 8.1304 117.5744 62.7437 28.2461 175.9849 50 L 4.0443 8.3412 122.3269 58.1351 41.4605 179.2949 51 G 3.7242 7.9180 104.7064 47.3340 0.0000 175.3565 52 W 4.3250 8.1160 130.3607 60.4297 30.6830 178.0415 53 A 3.7654 8.1155 118.6026 54.3195 17.8160 179.2994 54 S 3.9664 7.8320 112.7679 59.5596 63.1249 174.3305 55 F 4.6575 7.0994 118.7226 54.4486 41.3673 173.3794 56 P 4.3617 0.0000 0.0000 62.9624 31.9975 175.9857 57 H 4.7544 8.2773 117.6187 56.4820 29.5304 174.6921 58 K 4.2118 8.1417 124.3235 57.0388 32.1061 174.6830 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 F 8.32 4.69 0.00 2.95 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 2 E 8.42 4.62 0.00 2.02 1.84 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 2.22 2.39 0.00 3 N 9.52 4.59 0.00 2.71 2.76 0.00 0.00 6.80 7.65 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 4 R 8.41 4.72 0.00 1.87 1.87 0.00 3.59 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.56 0.00 5 V 8.29 3.57 2.18 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 1.04 0.00 0.00 0.98 0.00 0.00 6 A 8.09 4.30 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 7 E 8.11 3.89 0.00 2.14 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 2.41 2.42 0.00 8 K 7.83 4.01 0.00 2.02 2.11 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.68 1.76 7.81 9 Q 8.85 4.11 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 10 K 8.05 3.95 0.00 1.81 2.00 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.43 7.81 11 L 8.10 3.93 0.00 1.57 1.46 0.66 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.00 4.36 0.00 3.24 3.10 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 13 Q 7.77 4.56 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 14 E 7.24 3.85 0.00 2.01 1.95 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 2.30 2.23 0.00 15 D 8.63 4.70 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.86 4.66 0.00 2.82 2.88 0.00 0.00 6.34 7.00 0.00 0.00 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 G 8.00 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 0.00 0.00 0.00 18 L 7.53 4.57 0.00 1.74 1.57 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.43 0.00 2.24 2.18 0.00 3.66 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 1.81 1.87 0.00 20 V 8.64 3.81 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 0.83 0.00 0.00 0.82 0.00 0.00 21 H 8.18 4.56 0.00 3.30 3.44 0.00 5.46 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.13 4.66 0.00 1.50 1.59 0.75 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.71 4.07 0.00 2.04 2.22 0.00 1.95 0.00 0.00 1.84 0.00 0.00 3.33 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.90 1.52 7.81 24 G 8.47 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.00 3.62 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 0.00 0.00 0.00 26 A 8.41 3.82 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.89 3.82 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 1.25 0.00 0.00 28 D 8.25 4.46 0.00 3.02 2.97 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 29 N 7.79 4.48 0.00 2.94 2.93 0.00 0.00 7.08 7.18 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 30 I 7.61 3.70 2.05 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 1.44 0.95 0.93 0.00 0.00 31 L 8.11 3.93 0.00 1.94 1.77 0.94 0.92 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 32 Y 8.13 4.12 0.00 3.23 3.29 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 33 R 8.02 3.58 0.00 2.10 1.94 0.00 3.30 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 34 V 8.07 3.50 2.26 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 1.09 0.00 0.00 0.92 0.00 0.00 35 T 8.06 3.80 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 1.19 0.00 0.00 36 M 8.25 3.90 0.00 1.64 1.43 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 37 T 7.89 3.78 4.35 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 1.17 0.00 0.00 38 L 8.02 3.95 0.00 1.83 1.71 0.91 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.08 4.14 0.00 3.11 2.97 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 40 L 8.40 4.09 0.00 1.62 1.72 0.91 0.87 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 41 G 8.74 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 42 G 8.65 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.34 3.93 4.48 0.00 0.00 0.00 0.00 0.00 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 44 L 8.22 4.11 0.00 1.89 1.78 0.98 1.07 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 45 Y 8.38 4.39 0.00 2.95 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 46 S 8.39 3.93 0.00 4.04 4.10 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 47 L 7.94 3.98 0.00 2.05 1.83 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.89 4.15 0.00 3.16 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.13 3.89 0.00 3.01 2.89 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 50 L 8.34 4.04 0.00 1.75 1.92 0.93 0.97 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 51 G 7.92 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 52 W 8.12 4.32 0.00 2.95 3.27 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 53 A 8.12 3.77 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 54 S 7.83 3.97 0.00 4.11 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.10 4.66 0.00 2.88 2.86 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 56 P 0.00 4.36 0.00 2.11 1.95 0.00 3.82 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 57 H 8.28 4.75 0.00 3.04 3.33 0.00 6.02 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.14 4.21 0.00 1.82 1.78 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.36 7.81