NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.1052 8.4293 121.4508 55.7866 31.5286 176.0798 20 I 4.3735 7.5535 107.3083 59.5493 40.7666 172.9276 21 D 4.9732 7.7420 119.0383 52.2950 44.0026 175.8015 22 Y 4.4900 7.7653 120.6981 58.6009 39.2020 178.1027 23 K 4.0440 7.1124 119.4298 59.1661 32.7694 177.6545 24 D 4.6814 7.4931 116.8784 53.7924 38.7860 176.8105 25 I 3.7987 7.5414 115.7247 63.3009 37.7098 178.1757 26 A 3.9926 7.8569 122.1397 55.6806 18.2249 179.2834 27 T 4.1564 9.0891 114.7448 66.5558 68.5002 177.1917 28 L 4.3115 7.8294 121.3414 57.3494 41.5126 178.8411 29 K 4.1550 7.7068 118.3826 58.6568 32.1051 177.7310 30 N 4.4310 7.7308 114.7109 55.2497 39.4788 175.0565 31 Y 4.6826 8.3765 119.3433 56.6796 38.2703 176.1103 32 I 4.8073 7.3115 119.9084 60.2361 41.3227 175.7157 33 T 4.2485 8.3640 115.8253 61.1617 69.4462 175.0190 34 E 4.5385 8.4006 119.8320 56.7583 28.5494 178.0266 35 S 4.5655 9.1301 112.2751 57.9004 65.9485 174.9707 36 G 4.2560 8.3842 113.2541 45.4559 0.0000 174.8785 37 K 3.9914 7.8520 119.1262 56.6798 32.8918 175.7073 38 I 4.5151 7.9901 113.9018 60.6497 38.7961 175.8434 39 V 3.9141 8.0907 118.3688 60.6517 31.6546 174.6313 40 P 4.4349 0.0000 0.0000 62.9494 32.1721 177.2230 41 S 4.5990 8.9910 114.6180 59.9551 62.7515 176.4384 42 R 4.0460 8.0502 115.8242 58.2720 29.5261 176.7687 43 I 4.5302 6.8727 119.9093 60.6884 37.3825 176.3026 44 T 4.4453 8.1001 107.5775 61.3382 73.0826 175.1333 45 G 4.1520 7.3648 115.4075 47.1326 0.0000 174.2490 46 T 3.6977 8.2425 112.2770 59.6653 67.9638 173.8016 47 R 4.0775 8.9124 127.7205 56.1759 32.1002 177.6527 48 A 3.8786 8.3172 122.1141 55.3357 18.1704 179.7197 49 K 3.6903 7.9533 117.5602 60.2342 32.0499 178.2422 50 Y 4.3831 7.5399 116.0301 61.1103 37.9309 177.4877 51 Q 3.9838 8.5589 120.9350 59.4095 29.1037 179.0842 52 R 3.8356 8.0881 118.6947 59.3746 30.0735 178.6715 53 Q 3.9633 7.7373 118.8362 59.1270 29.0955 178.2113 54 L 3.8802 8.4193 121.3648 57.9570 42.0165 178.5674 55 A 3.9356 7.8333 120.6846 55.4447 18.2748 179.5898 56 R 3.7471 7.7542 115.5901 59.4800 30.1408 179.0204 57 A 4.0347 7.6952 120.3342 55.4444 18.3740 179.8345 58 I 3.6977 7.6473 117.9078 64.2090 36.6858 178.8365 59 K 3.6850 8.1480 120.0119 59.4191 31.6936 179.7111 60 R 3.3096 7.8299 115.9801 58.8356 29.2047 178.6932 61 A 4.0142 7.8377 121.8024 55.1034 18.4110 179.7620 62 R 4.1990 7.8138 117.9576 59.0921 29.8197 178.8222 63 Y 4.3952 7.7110 115.0711 60.3522 38.0885 176.1091 64 L 4.3289 7.5824 119.6947 54.2774 42.0258 176.0567 65 S 3.8830 7.8108 109.0530 59.6861 61.2042 172.6988 66 L 4.3951 7.9168 118.0666 55.4711 41.5400 176.7020 67 L 4.7666 7.3980 117.6273 52.4457 45.7821 173.0196 68 P 4.7555 0.0000 0.0000 62.2929 32.5838 176.1078 69 Y 4.0508 8.9438 119.2642 60.9435 38.0100 175.6112 70 T 4.9849 7.4728 106.3669 59.6010 72.0479 173.1210 71 D 4.5874 8.5560 119.7012 55.8680 41.3138 178.0885 72 R 4.1025 7.9667 118.8178 58.9538 30.6744 175.6196 73 H 4.3977 8.1365 119.5844 56.6481 30.7539 173.7006 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 19 E 8.43 4.11 0.00 1.77 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 1.93 1.90 0.00 20 I 7.55 4.37 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.78 0.77 0.00 0.00 21 D 7.74 4.97 0.00 2.50 2.42 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 22 Y 7.77 4.49 0.00 3.25 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 23 K 7.11 4.04 0.00 1.60 1.79 0.00 1.66 0.00 0.00 1.37 0.00 0.00 2.74 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 0.21 7.81 24 D 7.49 4.68 0.00 2.60 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.54 3.80 1.90 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 1.72 0.95 1.05 0.00 0.00 26 A 7.86 3.99 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 27 T 9.09 4.16 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 1.35 0.00 0.00 28 L 7.83 4.31 0.00 1.71 1.78 1.00 0.77 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 29 K 7.71 4.16 0.00 1.93 1.84 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 30 N 7.73 4.43 0.00 2.35 2.39 0.00 0.00 6.86 7.34 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 31 Y 8.38 4.68 0.00 3.01 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 32 I 7.31 4.81 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 1.02 0.00 0.00 33 T 8.36 4.25 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 1.28 0.00 0.00 34 E 8.40 4.54 0.00 1.97 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 2.31 2.39 0.00 35 S 9.13 4.57 0.00 3.79 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 36 G 8.38 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 0.00 0.00 0.00 0.00 37 K 7.85 3.99 0.00 1.97 2.01 0.00 1.52 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.47 7.81 38 I 7.99 4.52 1.91 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 1.37 0.88 0.92 0.00 0.00 39 V 8.09 3.91 2.12 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 0.70 0.00 0.00 1.07 0.00 0.00 40 P 0.00 4.43 0.00 2.09 2.01 0.00 3.61 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 2.13 2.12 0.00 41 S 8.99 4.60 0.00 4.08 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 42 R 8.05 4.05 0.00 1.97 2.06 0.00 3.08 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 43 I 6.87 4.53 1.89 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 1.37 0.63 0.92 0.00 0.00 44 T 8.10 4.45 4.39 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 1.25 0.00 0.00 45 G 7.36 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.24 3.70 4.40 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 1.34 0.00 0.00 47 R 8.91 4.08 0.00 1.63 1.60 0.00 3.12 0.00 0.00 3.08 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 48 A 8.32 3.88 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 49 K 7.95 3.69 0.00 1.65 1.43 0.00 1.54 0.00 0.00 1.40 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.49 7.81 50 Y 7.54 4.38 0.00 3.17 2.81 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 51 Q 8.56 3.98 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 52 R 8.09 3.84 0.00 2.04 1.95 0.00 3.18 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 53 Q 7.74 3.96 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 54 L 8.42 3.88 0.00 1.59 1.67 -0.41 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.83 3.94 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 56 R 7.75 3.75 0.00 2.03 1.96 0.00 3.11 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 57 A 7.70 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.65 3.70 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.69 0.88 0.00 0.00 59 K 8.15 3.68 0.00 1.71 1.45 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.52 7.81 60 R 7.83 3.31 0.00 1.62 1.85 0.00 2.78 0.00 0.00 2.81 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.35 0.00 61 A 7.84 4.01 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.20 0.00 1.89 1.31 0.00 2.82 0.00 0.00 2.67 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 63 Y 7.71 4.40 0.00 3.00 3.02 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 64 L 7.58 4.33 0.00 1.74 1.72 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.81 3.88 0.00 4.10 3.94 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 0.00 0.00 0.00 66 L 7.92 4.40 0.00 1.87 1.76 1.11 0.96 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 67 L 7.40 4.77 0.00 1.66 1.51 0.95 1.04 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 68 P 0.00 4.76 0.00 2.53 2.10 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 69 Y 8.94 4.05 0.00 2.94 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 70 T 7.47 4.98 4.30 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 1.31 0.00 0.00 71 D 8.56 4.59 0.00 2.72 2.78 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 72 R 7.97 4.10 0.00 1.78 1.96 0.00 3.27 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 73 H 8.14 4.40 0.00 3.11 3.06 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00