NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3112 8.3001 120.3223 52.9089 35.4023 178.6675 2 A 3.4929 7.7827 121.7156 52.0248 16.1741 174.6235 3 T 5.2424 8.0560 111.1867 61.3218 72.4468 172.4620 4 V 4.4498 8.8094 124.0771 59.6717 34.1958 174.1982 5 K 5.0775 8.8105 126.6152 54.8372 33.7232 174.9481 6 F 5.0915 8.9916 121.5673 55.7885 42.1964 172.4901 7 K 5.0266 8.8141 119.5672 54.8111 34.6593 174.8049 8 Y 4.4148 9.3247 128.0750 57.0899 41.8729 174.7702 9 K 3.5181 9.2725 128.4682 57.5880 29.3407 175.9408 10 G 3.9357 8.0047 102.8629 45.6473 0.0000 172.0571 11 E 4.6096 7.8435 119.7983 54.1741 31.9560 174.3592 12 E 4.6953 8.6377 124.4677 55.2924 30.6499 175.3074 13 K 4.5466 8.9585 126.4406 54.3776 36.2569 174.6349 14 E 5.0393 8.2251 121.3812 54.6689 32.6411 174.7144 15 V 4.5061 8.9516 125.8495 60.8991 35.7650 174.2747 16 D 4.8288 8.6553 126.9228 54.2517 41.5382 177.6753 17 I 3.6457 8.5528 125.3519 64.2366 37.3022 178.6266 18 S 4.1975 7.9887 113.6935 60.5563 63.0254 174.9462 19 K 4.3352 7.9739 119.4684 56.5648 32.3598 176.3204 20 I 4.3993 7.4093 121.5299 61.2847 37.4024 175.2615 21 K 4.3911 8.9501 126.0711 57.6712 32.5557 176.4754 22 K 4.8493 8.4135 120.8243 54.6208 35.3680 174.4673 23 V 5.1514 8.5407 125.1395 61.1505 34.6653 174.1963 24 W 5.2925 8.9319 123.0651 55.5451 31.9959 172.9161 25 R 4.9937 8.7804 121.4819 54.6913 31.5676 176.0359 26 V 4.3735 8.5315 125.4305 60.4040 34.0313 177.8599 27 G 3.9295 9.0455 119.6939 46.9051 0.0000 172.7814 28 K 4.7425 9.1693 121.9918 55.7907 34.2280 174.5933 29 M 5.0144 8.3100 118.1558 53.5108 34.7011 174.8100 30 I 4.6035 8.5614 121.6456 60.0435 39.3258 174.9230 31 S 4.5968 8.0545 123.9975 56.8335 65.3080 173.4700 32 F 5.1725 7.6228 116.9069 55.9761 41.7045 172.8502 33 T 5.3120 9.2002 109.9685 60.3088 71.6979 172.6326 34 Y 5.3387 8.4565 120.4911 55.5490 42.4471 173.1817 35 D 4.9548 9.1607 121.0219 52.8825 41.9158 176.0083 36 E 4.6629 8.7695 125.3988 55.8988 29.9950 177.2777 37 G 4.0302 7.7556 103.1861 46.7677 0.0000 175.1732 38 G 3.8880 8.2025 107.0215 47.0435 0.0000 175.1792 39 G 3.9789 8.5736 111.5167 44.8225 0.0000 173.1980 40 K 4.1317 7.7020 121.0410 57.2228 33.7214 176.0425 41 T 4.8006 8.4883 120.3250 61.8374 70.7066 174.2228 42 G 3.4439 8.3237 113.3788 44.4753 0.0000 172.2197 43 R 5.1371 7.5868 117.3557 54.5863 34.3189 174.8597 44 G 3.3153 7.7751 106.3757 45.8918 0.0000 171.9453 45 A 4.7337 7.7232 119.8159 50.7635 22.0836 175.8836 46 V 4.6292 8.6429 112.6205 59.3830 36.9947 175.2218 47 S 4.4827 8.5533 116.1067 57.8353 63.3738 174.2557 48 E 3.9488 8.4553 127.3473 59.2990 29.3760 179.6115 49 K 3.9992 8.0753 115.6414 59.5680 32.5561 176.9922 50 D 4.5759 7.9175 116.9461 54.0682 41.1319 175.9598 51 A 4.2878 7.7860 124.0280 50.4323 19.4317 176.1145 52 P 4.3807 0.0000 0.0000 62.1972 32.3160 177.4423 53 K 3.9011 8.6781 121.5546 59.8744 31.7879 179.0758 54 E 3.9881 8.0474 118.4950 59.0754 29.5345 178.7501 55 L 3.9052 7.7578 120.3906 57.9172 42.1038 178.9657 56 L 4.0807 7.7842 118.5705 57.5780 41.7499 179.1812 57 Q 4.0629 8.1189 118.2962 58.9925 28.4017 178.4357 58 M 4.1219 7.6457 119.4064 58.0462 32.1498 178.2243 59 L 4.1087 7.8002 120.1516 58.3712 42.1616 178.8779 60 E 3.9760 8.0340 117.6324 59.2689 29.6095 178.8049 61 K 4.1847 7.9009 116.4065 57.7815 32.4405 176.8771 62 Q 4.0940 7.8113 117.1804 52.4551 30.1771 175.2350 63 K 3.8884 8.4844 122.1920 58.2158 31.0869 175.4405 64 K 4.2072 7.8512 121.6627 56.7185 32.8961 176.7995 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 8.30 4.31 0.00 1.99 2.09 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 2.48 2.52 0.00 2 A 7.78 3.49 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 3 T 8.06 5.24 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 4 V 8.81 4.45 1.86 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 0.59 0.00 0.00 0.88 0.00 0.00 5 K 8.81 5.08 0.00 1.76 1.77 0.00 1.79 0.00 0.00 1.90 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.62 7.81 6 F 8.99 5.09 0.00 3.24 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 7 K 8.81 5.03 0.00 1.92 1.75 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.40 7.81 8 Y 9.32 4.41 0.00 3.25 2.90 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 9 K 9.27 3.52 0.00 1.92 1.77 0.00 1.85 0.00 0.00 1.79 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.11 0.80 7.81 10 G 8.00 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 0.00 0.00 0.00 11 E 7.84 4.61 0.00 2.21 1.83 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 2.22 2.41 0.00 12 E 8.64 4.70 0.00 1.91 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 13 K 8.96 4.55 0.00 0.79 1.14 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.19 1.10 7.81 14 E 8.23 5.04 0.00 1.82 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 15 V 8.95 4.51 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 0.75 0.00 0.00 0.58 0.00 0.00 16 D 8.66 4.83 0.00 2.74 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.55 3.65 1.75 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.83 0.00 0.00 18 S 7.99 4.20 0.00 3.97 3.99 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 19 K 7.97 4.34 0.00 2.02 1.98 0.00 1.70 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.43 7.81 20 I 7.41 4.40 1.94 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.31 0.84 0.00 0.00 21 K 8.95 4.39 0.00 1.68 1.88 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.44 7.81 22 K 8.41 4.85 0.00 1.98 1.94 0.00 1.55 0.00 0.00 1.44 0.00 0.00 2.69 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.56 1.43 7.81 23 V 8.54 5.15 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 0.91 0.00 0.00 0.96 0.00 0.00 24 W 8.93 5.29 0.00 3.41 3.35 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 25 R 8.78 4.99 0.00 1.87 1.92 0.00 3.21 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 26 V 8.53 4.37 2.30 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 0.78 0.00 0.00 1.01 0.00 0.00 27 G 9.05 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.17 4.74 0.00 1.69 1.77 0.00 1.62 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.40 7.81 29 M 8.31 5.01 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 30 I 8.56 4.60 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 1.21 0.92 0.89 0.00 0.00 31 S 8.05 4.60 0.00 2.72 2.83 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 32 F 7.62 5.17 0.00 3.07 2.92 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 0.00 0.00 0.00 33 T 9.20 5.31 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 1.44 0.00 0.00 34 Y 8.46 5.34 0.00 3.16 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 35 D 9.16 4.95 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.77 4.66 0.00 2.17 2.14 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 1.98 2.24 0.00 37 G 7.76 4.03 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 0.00 0.00 0.00 38 G 8.20 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 39 G 8.57 3.98 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 0.00 0.00 0.00 40 K 7.70 4.13 0.00 1.80 1.94 0.00 1.27 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.65 1.34 7.81 41 T 8.49 4.80 4.18 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 0.00 0.00 0.00 1.19 0.00 0.00 42 G 8.32 3.44 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 0.00 43 R 7.59 5.14 0.00 1.34 1.61 0.00 3.33 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 44 G 7.78 3.32 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 0.00 45 A 7.72 4.73 0.98 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 0.00 0.00 46 V 8.64 4.63 2.15 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 0.91 0.00 0.00 1.02 0.00 0.00 47 S 8.55 4.48 0.00 3.87 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 48 E 8.46 3.95 0.00 2.13 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 2.31 2.43 0.00 49 K 8.08 4.00 0.00 1.90 1.94 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.48 7.81 50 D 7.92 4.58 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.79 4.29 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 52 P 0.00 4.38 0.00 2.12 2.05 0.00 3.53 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.04 0.00 53 K 8.68 3.90 0.00 1.80 1.80 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.53 7.81 54 E 8.05 3.99 0.00 2.10 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 2.46 2.40 0.00 55 L 7.76 3.91 0.00 1.65 1.73 0.59 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.78 4.08 0.00 1.88 1.69 0.98 0.94 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 57 Q 8.12 4.06 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.67 0.00 58 M 7.65 4.12 0.00 1.94 2.26 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 2.76 2.53 0.00 59 L 7.80 4.11 0.00 1.79 1.88 1.00 0.97 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 60 E 8.03 3.98 0.00 2.03 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 2.36 2.43 0.00 61 K 7.90 4.18 0.00 1.86 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.63 7.81 62 Q 7.81 4.09 0.00 2.25 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 63 K 8.48 3.89 0.00 2.03 1.87 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.49 7.81 64 K 7.85 4.21 0.00 1.74 1.61 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.50 7.81