NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4615 8.2893 118.1892 55.0885 33.3831 174.5780 2 K 4.0572 7.6821 120.2945 56.2679 37.1702 172.6964 3 P 4.4706 0.0000 0.0000 61.9691 32.6005 178.4294 4 S 4.3166 8.6986 110.4452 60.3565 62.2054 175.4189 5 E 4.8367 8.0362 117.9175 56.4067 29.9251 175.6682 6 M 4.4507 8.4983 118.9500 57.2514 33.8771 177.6377 7 R 4.5203 8.3851 114.8132 59.4970 30.0928 178.8648 8 N 3.9492 7.5831 116.4931 56.1721 39.5096 174.4418 9 L 4.4413 7.4719 116.8385 53.6785 43.6283 176.5634 10 Q 4.1625 8.2974 117.3114 55.4518 30.8728 176.7333 11 A 3.5847 8.3756 125.8460 55.6520 18.3576 180.2337 12 T 3.8549 7.8880 107.5359 65.2944 67.9534 176.0275 13 D 4.4082 8.0061 121.0939 56.9322 40.6449 178.2259 14 F 4.3758 8.2829 117.5181 60.8180 39.2133 177.0391 15 A 4.1955 7.9877 119.4603 55.4441 17.9674 179.4752 16 K 4.5511 8.0455 118.0185 59.1819 32.3269 177.9809 17 E 4.2822 9.3379 115.7918 57.9250 29.6275 177.1468 18 I 4.2634 8.5064 119.3782 61.7456 39.4154 176.4046 19 D 4.3901 7.9540 120.3228 55.7814 39.5026 177.9673 20 A 4.3684 8.1783 122.4316 53.6847 19.8899 179.3504 21 R 3.7702 7.7185 115.9380 59.6086 30.3274 178.8853 22 K 4.1387 7.9931 112.5395 57.6013 31.7244 177.8881 23 K 4.2067 7.6895 120.6957 57.4939 32.6159 177.9265 24 E 3.9459 9.0411 120.7876 58.9552 29.7356 178.0024 25 L 4.1480 7.8474 119.6379 58.1991 41.8470 177.9259 26 M 3.9807 7.6754 117.6018 58.1083 32.5136 177.2741 27 E 3.8715 7.7081 117.3876 59.9552 29.6191 179.3124 28 L 4.0388 8.5445 119.5439 57.1848 41.2755 178.9969 29 R 3.9092 8.0821 118.3691 60.4230 29.9494 178.2056 30 F 4.4746 9.3867 117.9164 60.3312 38.6673 177.8657 31 Q 3.8070 8.5536 117.7375 59.7058 28.2550 179.5874 32 A 3.6365 8.6074 119.2152 55.9322 18.2020 178.9477 33 A 4.4977 7.9672 119.7705 54.8055 18.8558 179.0265 34 A 4.4040 8.0643 116.5224 50.7532 19.0713 173.4877 35 G 3.7427 8.9272 115.2874 45.6353 0.0000 173.6654 36 Q 5.2170 8.5965 135.0000 56.0953 28.8517 172.9460 37 L 3.9911 7.5413 119.1545 56.5750 40.6944 175.7216 38 A 4.6177 8.3592 126.3933 51.8517 20.0791 176.8605 39 Q 4.6814 7.3862 115.6837 55.2673 29.7349 176.1247 40 P 4.2150 0.0000 0.0000 66.1274 32.2158 178.7711 41 H 4.1753 8.3516 113.9429 58.4778 28.3142 177.0874 42 R 3.7945 8.5489 122.1612 60.2648 29.8314 177.4858 43 V 3.3688 7.5820 114.9449 66.5115 31.2555 177.6768 44 R 3.9184 8.0118 116.0091 60.4577 30.3388 177.6183 45 Q 4.0628 9.1308 119.8214 57.1914 28.5327 178.6101 46 L 3.7905 8.1037 123.0088 58.1029 42.5174 179.3422 47 R 3.9194 8.5679 118.6131 59.0205 29.8838 178.7381 48 R 3.8411 8.7979 118.3785 59.8969 30.0251 178.4662 49 E 3.8374 8.4460 118.2747 59.5315 29.3259 179.1631 50 V 3.4045 7.4191 116.4986 66.2571 31.6078 177.3592 51 A 4.0692 8.0194 119.5612 55.5635 18.1765 179.2596 52 Q 3.9914 7.7543 116.6222 58.3490 28.6802 179.2875 53 L 3.6584 7.9975 115.3740 55.8242 41.7064 177.0964 54 N 4.8555 8.5509 116.1671 54.6451 42.0090 176.5794 55 T 3.9804 8.2413 115.1513 67.5961 67.8988 175.8040 56 V 4.1889 8.0010 120.6052 64.7098 31.0454 177.5935 57 K 4.6472 8.2508 118.1047 59.9599 32.6165 178.4843 58 A 4.1688 8.9779 121.9179 54.9678 18.3713 179.4589 59 E 4.0292 9.6367 117.6881 59.2036 29.4257 179.5986 60 L 4.0090 7.7419 117.9457 57.6480 41.6088 179.0716 61 A 4.0524 7.1849 117.9099 54.2134 18.9062 177.9527 62 R 4.4063 7.8178 113.1588 55.0256 32.5349 174.9147 63 K 4.2041 8.7169 117.7516 58.7615 31.5769 174.6694 64 G 3.7187 8.5130 114.4888 44.8114 0.0000 171.8659 65 E 4.8382 8.4160 128.9824 54.7386 32.4548 176.1846 66 Q 4.0998 8.2048 122.0817 56.2720 29.2028 173.0143 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 2.12 2.24 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 2 K 7.68 4.06 0.00 1.89 1.86 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.19 1.51 7.81 3 P 0.00 4.47 0.00 2.20 2.06 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 4 S 8.70 4.32 0.00 3.89 3.90 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 5 E 8.04 4.84 0.00 1.93 1.94 0.00 0.00 0.00 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 2.26 0.00 6 M 8.50 4.45 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 7 R 8.39 4.52 0.00 2.15 2.34 0.00 3.17 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 8 N 7.58 3.95 0.00 2.53 2.90 0.00 0.00 7.26 7.66 0.00 0.00 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 L 7.47 4.44 0.00 1.90 1.69 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.30 4.16 0.00 2.27 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 11 A 8.38 3.58 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 12 T 7.89 3.85 4.25 0.00 0.00 0.00 0.00 0.00 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 13 D 8.01 4.41 0.00 3.06 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 14 F 8.28 4.38 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 15 A 7.99 4.20 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 16 K 8.05 4.55 0.00 1.76 1.99 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.36 7.81 17 E 9.34 4.28 0.00 2.12 1.92 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 2.61 2.53 0.00 18 I 8.51 4.26 1.98 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 1.52 1.03 0.90 0.00 0.00 19 D 7.95 4.39 0.00 2.86 2.95 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 20 A 8.18 4.37 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 21 R 7.72 3.77 0.00 2.04 1.95 0.00 3.16 0.00 0.00 3.45 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 22 K 7.99 4.14 0.00 1.72 1.83 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.41 7.81 23 K 7.69 4.21 0.00 1.87 1.96 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.37 7.81 24 E 9.04 3.95 0.00 1.88 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 2.26 2.28 0.00 25 L 7.85 4.15 0.00 1.87 1.65 0.91 0.81 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 26 M 7.68 3.98 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.73 0.00 27 E 7.71 3.87 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 28 L 8.54 4.04 0.00 1.82 1.67 0.93 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 29 R 8.08 3.91 0.00 2.03 2.23 0.00 3.15 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 30 F 9.39 4.47 0.00 3.14 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 31 Q 8.55 3.81 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.83 0.00 32 A 8.61 3.64 1.34 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 0.00 0.00 33 A 7.97 4.50 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 4.40 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 35 G 8.93 3.74 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 0.00 0.00 0.00 36 Q 8.60 5.22 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.17 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 37 L 7.54 3.99 0.00 1.75 1.63 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.36 4.62 1.26 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 0.00 0.00 0.00 39 Q 7.39 4.68 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 40 P 0.00 4.21 0.00 2.16 2.12 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 41 H 8.35 4.18 0.00 3.33 3.54 0.00 5.52 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.55 3.79 0.00 2.00 2.14 0.00 3.15 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 43 V 7.58 3.37 2.25 0.00 0.00 0.00 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 0.98 0.00 0.00 44 R 8.01 3.92 0.00 2.00 2.01 0.00 3.19 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 45 Q 9.13 4.06 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.53 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 46 L 8.10 3.79 0.00 1.78 1.68 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.57 3.92 0.00 2.00 1.92 0.00 3.32 0.00 0.00 3.09 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 48 R 8.80 3.84 0.00 1.79 2.10 0.00 3.08 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 49 E 8.45 3.84 0.00 2.23 1.92 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 2.28 2.28 0.00 50 V 7.42 3.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.96 0.00 0.00 51 A 8.02 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.75 3.99 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 53 L 8.00 3.66 0.00 1.55 1.49 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.55 4.86 0.00 2.76 2.76 0.00 0.00 6.97 7.08 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 55 T 8.24 3.98 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 1.21 0.00 0.00 56 V 8.00 4.19 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 1.66 0.00 0.00 0.98 0.00 0.00 57 K 8.25 4.65 0.00 2.50 2.19 0.00 2.04 0.00 0.00 1.97 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.75 7.81 58 A 8.98 4.17 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 59 E 9.64 4.03 0.00 2.18 2.04 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 2.35 2.75 0.00 60 L 7.74 4.01 0.00 1.89 1.69 0.76 0.78 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 61 A 7.18 4.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 4.41 0.00 1.97 1.91 0.00 3.11 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 63 K 8.72 4.20 0.00 1.69 1.78 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.51 7.81 64 G 8.51 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 65 E 8.42 4.84 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 66 Q 8.20 4.10 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.32 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00