NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7238 8.1633 120.6345 55.7215 33.8372 174.0267 2 L 4.8494 9.4598 126.9367 52.1425 45.7892 174.3058 3 Q 4.5043 9.5497 123.2377 54.6408 30.7734 173.2785 4 L 4.6416 8.6075 126.9915 53.0363 43.3118 177.0707 5 N 4.1431 8.8394 123.9054 53.0185 36.8134 174.6248 6 G 4.1261 8.2345 107.0325 45.4753 0.0000 174.6470 7 K 4.0356 7.5422 119.9577 56.3264 32.7183 175.4977 8 D 5.0687 8.4361 124.0659 53.2437 41.2558 175.9138 9 V 4.4696 8.1717 117.0507 59.0925 34.4831 175.5845 10 K 4.3395 8.6707 125.7918 56.1890 32.6285 175.8797 11 W 4.9064 8.9586 135.0000 56.3397 31.4636 176.2922 12 K 3.6856 7.4340 130.2619 59.3739 31.7141 176.2076 13 K 4.5648 5.9145 115.1577 51.8527 35.4263 177.3412 14 D 4.5840 8.8678 115.5770 58.5139 40.9171 176.0831 15 T 4.7705 7.4164 105.4062 59.4668 71.9237 172.3541 16 G 4.1956 7.6026 109.6929 44.7289 0.0000 172.1516 17 T 4.9809 7.6467 109.2360 58.9797 73.0146 174.9603 18 I 3.4352 7.9803 123.7624 64.7486 37.0606 178.5941 19 Q 3.8276 8.0042 117.6763 59.6040 28.6759 177.8803 20 D 4.4652 7.7586 121.9706 56.8716 40.3577 179.2842 21 L 3.5249 7.6435 119.9708 58.0519 42.1226 178.8509 22 L 3.9629 7.6367 118.5450 58.1030 41.5504 178.7544 23 A 4.1254 8.2521 120.4490 55.7716 18.0205 179.5415 24 S 4.3783 8.3577 112.4858 61.1372 62.9824 175.4964 25 Y 4.4584 7.5082 116.3305 56.8870 38.3083 175.3469 26 Q 3.7359 8.5434 118.1888 57.5036 26.3291 173.9522 27 L 4.7102 8.2559 115.1550 54.6366 42.1713 177.8158 28 E 4.1862 8.3000 120.7095 58.9962 29.5175 177.3718 29 N 5.0763 7.9394 114.8370 52.7523 39.3545 174.7505 30 K 4.6784 7.7625 115.6832 54.4968 36.1875 176.4180 31 I 4.0736 8.4100 123.9796 61.4227 37.5491 175.7542 32 V 4.7666 8.1614 117.2156 60.0616 36.2678 174.0766 33 I 4.6215 8.9186 123.3189 59.6843 40.1768 175.0996 34 V 4.9334 8.4453 118.9635 59.4418 34.5200 174.2834 35 E 5.1399 8.9166 123.4533 54.4981 32.9985 175.2025 36 R 4.7257 8.7614 121.9632 54.6676 33.1028 174.9140 37 N 4.3651 9.8092 127.2068 54.5026 36.5420 175.5865 38 K 3.9333 8.0444 113.1425 56.4736 30.5612 176.0591 39 E 4.4240 7.6501 120.9986 54.6142 30.4233 174.8708 40 I 4.2652 8.2693 127.4718 61.2317 38.1895 175.3948 41 I 4.3392 8.8265 128.5890 59.2314 38.4582 175.9930 42 G 4.1535 8.6063 115.2751 45.6688 0.0000 173.5463 43 K 2.4800 8.8134 125.7377 58.7980 32.4691 177.4880 44 E 4.2908 7.8074 114.8836 56.4538 29.5168 177.5971 45 R 4.6034 7.8149 115.2392 56.0378 32.3636 176.1988 46 Y 4.3045 7.1855 115.3291 61.2846 38.3716 178.3519 47 H 3.9614 7.8414 124.0616 58.6716 31.0441 175.4592 48 E 4.5469 8.3111 117.5655 57.6807 31.5091 176.9810 49 V 3.8399 8.3833 120.0020 61.5430 32.5609 174.9336 50 E 4.6036 8.6917 126.6481 54.8392 30.6380 175.9913 51 L 4.0930 8.4650 128.4789 54.8863 39.8707 177.3016 52 C 4.4931 8.5197 122.3262 62.2942 27.3762 175.0854 53 D 3.6154 7.6010 115.1491 53.6537 43.7919 179.2751 54 R 5.0008 9.2077 112.0660 55.2946 28.5232 174.9631 55 D 4.5302 7.5892 119.8919 52.6152 43.1227 174.3183 56 V 4.6697 8.9071 119.8022 61.8998 33.4306 175.0365 57 I 4.9775 8.5156 129.3165 59.4898 39.7988 174.8102 58 E 4.9155 8.9235 125.0408 54.6817 32.4661 174.8250 59 I 4.6082 9.2803 126.3921 59.7908 39.0797 175.4504 60 V 4.6205 8.1941 124.6224 62.0954 35.4317 172.9858 61 H 4.7546 8.2415 118.2994 54.8334 31.0009 173.1268 62 F 4.5032 8.6808 118.3014 57.6323 39.9909 177.4094 63 V 4.3297 8.0675 116.8271 60.2319 32.8879 170.4543 64 G 3.8960 9.0514 116.3351 45.0702 0.0000 172.2309 65 G 3.7367 8.4523 113.0099 46.0104 0.0000 172.3354 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 8.16 4.72 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.67 0.00 2 L 9.46 4.85 0.00 1.63 1.49 0.67 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 9.55 4.50 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 4 L 8.61 4.64 0.00 1.59 1.39 0.80 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.84 4.14 0.00 2.71 2.77 0.00 0.00 7.14 7.68 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 6 G 8.23 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 0.00 0.00 0.00 7 K 7.54 4.04 0.00 1.76 1.82 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.42 7.81 8 D 8.44 5.07 0.00 2.60 2.65 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 9 V 8.17 4.47 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 0.93 0.00 0.00 1.00 0.00 0.00 10 K 8.67 4.34 0.00 1.81 1.76 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.47 7.81 11 W 8.96 4.91 0.00 3.40 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 12 K 7.43 3.69 0.00 1.22 0.88 0.00 1.47 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.11 1.22 7.81 13 K 5.91 4.56 0.00 1.81 1.55 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.20 7.81 14 D 8.87 4.58 0.00 2.63 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.42 4.77 4.31 0.00 0.00 0.00 0.00 0.00 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 16 G 7.60 4.20 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 0.00 17 T 7.65 4.98 4.53 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 1.26 0.00 0.00 18 I 7.98 3.44 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.27 0.44 0.00 0.00 19 Q 8.00 3.83 0.00 2.34 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 20 D 7.76 4.47 0.00 2.93 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.64 3.52 0.00 1.10 1.52 0.57 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.64 3.96 0.00 1.79 1.66 0.35 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.25 4.13 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 24 S 8.36 4.38 0.00 4.11 4.31 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.51 4.46 0.00 3.00 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 26 Q 8.54 3.74 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 7.10 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 27 L 8.26 4.71 0.00 1.56 1.65 0.84 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.30 4.19 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 29 N 7.94 5.08 0.00 2.71 2.84 0.00 0.00 6.65 7.61 0.00 0.00 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 K 7.76 4.68 0.00 1.70 1.68 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.41 7.81 31 I 8.41 4.07 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.54 1.10 0.00 0.00 32 V 8.16 4.77 2.09 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 0.65 0.00 0.00 0.94 0.00 0.00 33 I 8.92 4.62 1.78 0.00 0.00 0.56 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 1.07 0.91 0.00 0.00 34 V 8.45 4.93 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 0.62 0.00 0.00 0.80 0.00 0.00 35 E 8.92 5.14 0.00 2.06 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 2.13 2.17 0.00 36 R 8.76 4.73 0.00 1.77 1.75 0.00 3.21 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 37 N 9.81 4.37 0.00 2.81 2.81 0.00 0.00 7.16 7.41 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 38 K 8.04 3.93 0.00 1.89 1.98 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.45 7.81 39 E 7.65 4.42 0.00 2.18 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 40 I 8.27 4.27 1.87 0.00 0.00 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 1.34 0.64 0.92 0.00 0.00 41 I 8.83 4.34 2.13 0.00 0.00 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 1.20 0.58 1.13 0.00 0.00 42 G 8.61 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 43 K 8.81 2.48 0.00 1.51 1.60 0.00 1.23 0.00 0.00 1.49 0.00 0.00 3.19 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.28 7.81 44 E 7.81 4.29 0.00 2.17 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 2.30 2.31 0.00 45 R 7.81 4.60 0.00 1.98 1.93 0.00 3.15 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 46 Y 7.19 4.30 0.00 2.99 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 47 H 7.84 3.96 0.00 3.18 3.36 0.00 5.69 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 48 E 8.31 4.55 0.00 2.04 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 2.28 2.36 0.00 49 V 8.38 3.84 2.11 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 0.81 0.00 0.00 0.93 0.00 0.00 50 E 8.69 4.60 0.00 2.01 1.90 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 2.27 2.50 0.00 51 L 8.46 4.09 0.00 1.66 1.57 0.19 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 52 C 8.52 4.49 0.00 2.95 2.91 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 0.00 0.00 0.00 53 D 7.60 3.62 0.00 2.73 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.21 5.00 0.00 1.86 1.99 0.00 3.62 0.00 0.00 3.98 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 55 D 7.59 4.53 0.00 2.83 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 V 8.91 4.67 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 0.98 0.00 0.00 0.95 0.00 0.00 57 I 8.52 4.98 1.73 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.46 0.75 0.00 0.00 58 E 8.92 4.92 0.00 1.78 1.75 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 2.15 2.34 0.00 59 I 9.28 4.61 1.71 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.37 0.79 0.00 0.00 60 V 8.19 4.62 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 0.81 0.00 0.00 0.86 0.00 0.00 61 H 8.24 4.75 0.00 3.14 3.13 0.00 5.59 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.68 4.50 0.00 3.02 2.96 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 0.00 0.00 0.00 63 V 8.07 4.33 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 0.48 0.00 0.00 0.91 0.00 0.00 64 G 9.05 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 0.00 0.00 0.00 65 G 8.45 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