NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2813 8.1227 123.5843 52.6027 18.6999 176.0882 3 R 3.8988 8.2821 118.4285 55.6147 29.9344 174.8156 4 K 4.4004 7.6199 116.2495 57.8157 35.2761 176.8611 5 A 4.2722 7.8696 121.0592 54.8699 18.3645 178.4969 6 L 4.4305 7.2638 114.2950 55.4610 42.3098 177.7254 7 I 4.3549 8.1409 114.2798 62.5334 38.6849 177.1042 8 E 3.8692 8.0637 120.5392 58.8158 29.4377 178.3358 9 K 3.5244 8.0868 119.4052 59.0226 32.3673 177.7860 10 A 3.6219 7.6515 118.6554 53.2638 18.4192 177.8468 11 K 4.1949 8.5676 116.8907 58.1855 33.3357 178.3523 12 R 4.2413 7.6331 119.6766 56.5682 27.9087 176.3048 13 T 3.7844 8.6319 118.8452 66.6579 69.2293 176.8110 14 P 3.6839 0.0000 0.0000 64.6916 32.0329 175.8445 15 K 3.7663 8.1820 116.7297 56.9822 33.2281 178.2020 16 F 3.4832 6.9735 117.1227 57.5500 36.2422 176.9509 17 K 4.0260 8.8021 129.3504 59.2778 32.4573 178.0497 18 V 4.0287 7.8165 112.5632 63.3845 32.1620 177.8097 19 R 4.2153 7.9669 116.5975 57.4139 29.9582 176.6450 20 A 4.1326 7.6516 122.9974 51.9050 18.8577 176.6147 21 Y 4.9196 7.6141 120.2458 54.7701 41.1338 175.0378 22 T 4.1447 8.6568 112.0838 62.0710 69.6859 172.7020 23 R 4.9332 8.4239 125.0055 56.1154 32.1932 173.1922 24 C 4.0530 8.3795 126.8015 60.3655 32.2431 174.6297 25 V 3.6616 8.9729 126.1033 66.1290 31.6088 177.8317 26 R 4.0755 8.1150 115.2058 58.9645 29.5904 177.1858 27 C 4.5107 7.9601 110.8597 57.1835 29.8496 173.6232 28 G 4.0370 8.0206 106.4210 47.2614 0.0000 175.8023 29 R 4.1836 8.1328 120.9859 54.9896 28.1547 175.6914 30 A 3.9665 7.5657 123.2858 55.1232 19.5729 178.8395 31 R 4.0475 7.7441 113.8652 56.3204 31.6021 176.5347 32 S 3.6145 8.2572 112.0825 59.7663 60.6047 172.6268 33 V 4.8641 7.3442 112.9109 59.6346 33.4723 176.1529 34 Y 4.2793 8.8965 124.4921 57.9604 38.4082 177.7035 35 R 4.1026 8.8004 121.2302 58.9786 30.2904 177.4014 36 F 4.1197 8.5882 119.6843 60.6650 39.5068 175.5835 37 F 4.5722 8.7376 117.0559 59.8490 39.8650 177.0454 38 G 4.2140 9.2757 108.0576 45.0476 0.0000 172.5217 39 L 5.1124 7.8269 118.8301 51.8478 45.2357 175.8648 40 C 4.5733 8.6492 117.7295 58.2838 31.2745 175.0766 41 R 3.5659 8.6066 121.3250 60.0798 29.1549 178.5366 42 I 3.7102 7.8115 119.8798 63.9013 37.2247 177.5523 43 C 3.8680 8.0522 116.9428 63.0720 27.7424 176.0201 44 L 4.0488 7.5603 118.2757 56.9337 39.8392 178.3715 45 R 3.6200 8.0894 120.1814 58.7124 30.5161 177.7390 46 E 4.0698 7.8407 118.0574 59.2989 29.8554 178.5366 47 L 3.9122 7.7205 118.4570 57.9846 41.4256 179.6488 48 A 3.9008 7.0727 119.3337 55.5367 18.4823 178.9900 49 H 4.4802 7.5726 111.4228 57.2987 28.9889 177.4796 50 K 4.2449 7.6939 120.1570 57.5562 32.7043 177.8000 51 G 4.1152 8.7431 106.8008 46.6856 0.0000 173.7234 52 Q 4.5910 8.0454 114.0536 55.0022 29.6382 176.3630 53 L 4.6825 7.5893 117.9437 51.8254 43.4596 173.9549 54 P 4.0866 0.0000 0.0000 64.3882 31.6933 176.7997 55 G 3.9964 8.9015 108.4281 46.4558 0.0000 174.5025 56 V 3.9282 7.4922 120.0975 61.5753 29.6177 175.0842 57 R 4.1037 7.6204 124.1019 54.9930 31.2850 175.9228 58 K 4.1510 8.3614 120.9957 54.8427 30.9840 175.8811 59 A 4.2560 8.2978 129.1135 52.2641 18.9496 176.6576 60 S 4.8455 8.7128 113.7022 57.9956 65.0834 177.2375 61 W 4.4899 8.1922 123.9845 57.2296 27.2378 174.0333 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 2 A 8.12 4.28 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 3 R 8.28 3.90 0.00 1.88 1.94 0.00 3.21 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 4 K 7.62 4.40 0.00 1.88 1.64 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.53 7.81 5 A 7.87 4.27 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 6 L 7.26 4.43 0.00 1.89 1.80 0.95 0.83 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 7 I 8.14 4.35 1.91 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 1.63 0.68 1.03 0.00 0.00 8 E 8.06 3.87 0.00 2.23 1.97 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 2.38 2.42 0.00 9 K 8.09 3.52 0.00 1.87 2.01 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.51 7.81 10 A 7.65 3.62 1.24 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 0.00 0.00 11 K 8.57 4.19 0.00 1.64 1.81 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.59 7.81 12 R 7.63 4.24 0.00 1.75 1.89 0.00 3.25 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 13 T 8.63 3.78 4.21 0.00 0.00 0.00 0.00 0.00 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 14 P 0.00 3.68 0.00 2.06 2.26 0.00 3.56 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 15 K 8.18 3.77 0.00 1.77 1.93 0.00 1.96 0.00 0.00 1.38 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.62 7.81 16 F 6.97 3.48 0.00 3.21 3.43 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 17 K 8.80 4.03 0.00 1.88 1.99 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.53 7.81 18 V 7.82 4.03 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 1.02 0.00 0.00 0.99 0.00 0.00 19 R 7.97 4.22 0.00 2.13 2.13 0.00 3.42 0.00 0.00 3.36 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 20 A 7.65 4.13 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 21 Y 7.61 4.92 0.00 3.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.66 4.14 4.33 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 1.28 0.00 0.00 23 R 8.42 4.93 0.00 1.98 1.93 0.00 3.54 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 24 C 8.38 4.05 0.00 3.10 3.03 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 25 V 8.97 3.66 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 0.86 0.00 0.00 1.08 0.00 0.00 26 R 8.11 4.08 0.00 1.97 2.05 0.00 3.06 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 27 C 7.96 4.51 0.00 3.10 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 28 G 8.02 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.13 4.18 0.00 1.80 1.92 0.00 3.35 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 30 A 7.57 3.97 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 31 R 7.74 4.05 0.00 1.83 1.90 0.00 3.35 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 32 S 8.26 3.61 0.00 3.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.34 4.86 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.07 0.00 0.00 34 Y 8.90 4.28 0.00 3.16 3.19 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 35 R 8.80 4.10 0.00 1.98 2.12 0.00 3.10 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 36 F 8.59 4.12 0.00 2.97 2.98 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 0.00 0.00 0.00 37 F 8.74 4.57 0.00 3.20 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 38 G 9.28 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 5.11 0.00 1.62 1.52 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.65 4.57 0.00 3.19 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 41 R 8.61 3.57 0.00 1.98 2.32 0.00 3.10 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 42 I 7.81 3.71 1.86 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 1.64 0.73 0.90 0.00 0.00 43 C 8.05 3.87 0.00 3.04 2.98 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 0.00 0.00 0.00 44 L 7.56 4.05 0.00 1.37 1.55 0.37 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.09 3.62 0.00 1.76 2.15 0.00 3.24 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 46 E 7.84 4.07 0.00 2.14 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 2.39 2.36 0.00 47 L 7.72 3.91 0.00 1.62 1.71 0.91 0.84 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 48 A 7.07 3.90 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 49 H 7.57 4.48 0.00 3.17 3.32 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.69 4.24 0.00 1.89 1.85 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.75 7.81 51 G 8.74 4.12 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 0.00 0.00 0.00 52 Q 8.05 4.59 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.38 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 53 L 7.59 4.68 0.00 1.59 1.70 0.71 1.13 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 54 P 0.00 4.09 0.00 2.24 2.06 0.00 3.87 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 55 G 8.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.49 3.93 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 0.78 0.00 0.00 1.24 0.00 0.00 57 R 7.62 4.10 0.00 1.85 1.88 0.00 3.31 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 58 K 8.36 4.15 0.00 1.79 1.78 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.39 7.81 59 A 8.30 4.26 1.59 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 60 S 8.71 4.85 0.00 3.87 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.19 4.49 0.00 3.37 3.08 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 0.00 0.00 0.00 0.00