NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6508 8.3049 118.1950 54.6457 34.4331 174.0979 2 K 4.2769 7.5014 123.7831 56.3934 37.6954 176.8415 3 A 4.4781 9.7603 135.0000 53.5823 20.5395 179.7336 4 K 3.6867 8.0715 114.4663 58.8737 32.7844 177.5269 5 E 4.6010 7.3101 120.3116 54.3498 28.1838 176.4948 6 L 4.4220 7.8445 117.9200 54.4778 46.4409 176.7423 7 R 3.8121 8.7805 124.6842 57.9940 28.3648 176.3942 8 E 4.4526 7.7603 111.3927 55.2023 29.5808 174.1204 9 K 3.5203 8.0494 121.9911 57.0563 31.6093 174.8115 10 S 4.2764 8.5620 120.7709 61.4431 61.9807 175.5107 11 V 3.8172 7.6965 118.4028 64.5323 31.5033 176.8329 12 E 4.2374 8.5727 118.4548 59.7191 29.6895 178.1598 13 E 4.3377 7.8943 119.2583 58.4683 28.9921 179.6652 14 L 3.9871 7.8013 118.7150 57.8751 41.9421 178.0776 15 N 4.7502 8.0241 112.7791 54.1711 38.6466 176.6188 16 T 4.2600 7.5184 116.8241 66.1477 69.1537 177.0025 17 E 4.3185 7.9474 120.8154 58.2186 29.3208 178.8176 18 L 4.0174 7.4707 119.6374 57.2640 42.1091 177.8521 19 L 4.6000 7.8488 116.2260 54.7461 42.6001 177.7873 20 N 4.5729 7.9993 118.1680 55.9303 38.6243 176.6085 21 L 4.3589 7.5790 117.3579 55.3221 42.3832 178.9889 22 L 4.2994 7.3460 120.9443 54.6459 42.6856 177.0686 23 R 3.9960 8.8375 113.8540 59.8546 30.0944 178.0685 24 E 4.2574 8.1747 114.9627 57.7846 29.9278 177.0162 25 Q 4.4233 7.8211 118.1004 56.4414 31.6233 176.9799 26 F 4.0785 9.5277 119.8807 61.5304 39.8195 176.8922 27 N 4.4102 8.4846 115.8387 55.7246 38.1837 177.2846 28 L 4.0129 7.8903 121.7964 57.8632 41.9441 177.9331 29 R 4.5329 7.6018 115.9324 56.3037 30.0440 176.3637 30 M 4.5396 7.8062 116.8560 55.2245 32.8946 176.5753 31 Q 4.3648 7.7335 115.5647 55.9252 30.6847 177.0889 32 A 4.1143 7.9849 117.7072 52.8984 18.3145 177.1826 33 A 4.5266 8.2111 119.2412 54.5601 22.6089 178.9787 34 S 4.2514 7.6671 108.7212 58.8834 63.2252 174.5105 35 G 4.0199 7.6086 108.7891 46.5428 0.0000 173.1458 36 Q 4.4082 7.0444 115.1333 54.8984 33.2148 172.2658 37 L 3.5152 8.5141 127.3316 54.8218 41.1412 174.6648 38 Q 4.3287 8.5396 121.2901 56.3783 29.5279 177.2556 39 Q 4.3127 7.6444 118.1312 55.3811 26.6454 176.4028 40 S 4.0812 8.4607 119.4317 61.7186 63.4928 176.2711 41 H 4.4730 8.1887 114.6007 56.9807 27.8217 176.9516 42 L 3.8194 7.6218 123.9720 58.2979 42.0428 178.1089 43 L 4.1054 7.1820 116.1542 57.8298 41.6717 179.0320 44 K 4.0410 8.0737 118.6987 59.1280 32.1578 176.7870 45 Q 4.2585 8.4155 117.6743 55.8712 29.4647 176.5357 46 V 3.3899 8.3983 115.0284 63.6047 30.0401 171.6877 47 R 4.3990 7.0563 115.2576 56.4601 32.9335 177.3092 48 R 3.7104 7.2163 116.1778 60.0136 30.7771 178.4088 49 D 4.4308 8.0697 117.6546 56.9762 41.0372 178.6861 50 V 3.9077 8.6544 119.5258 65.3876 31.4930 177.1809 51 A 4.3104 7.8101 119.2045 53.5495 18.2376 178.7893 52 R 4.2049 8.2707 116.9596 57.5876 30.9305 178.2652 53 V 3.8242 7.2622 114.6683 64.2145 31.6873 176.5220 54 K 4.4107 7.7380 115.7592 59.0977 33.3140 177.8934 55 T 3.8642 7.7414 115.6700 66.9107 68.2999 176.5489 56 L 4.1883 7.7892 118.6877 56.5084 42.1502 178.3208 57 L 4.2923 7.6455 119.4758 56.3081 42.2343 177.5050 58 N 4.6096 8.1338 116.5638 55.8266 38.5735 176.3357 59 E 4.3198 7.6055 115.0571 57.2480 29.6151 176.5380 60 K 4.2113 7.3015 119.3758 56.8479 32.6216 176.2826 61 A 4.2211 7.8311 121.9799 51.9409 18.4148 178.7440 62 G 4.1695 9.9911 113.0720 46.2004 0.0000 172.7187 63 A 4.1597 7.7841 126.0564 52.4350 19.3540 175.5538 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 4.65 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 2 K 7.50 4.28 0.00 1.80 0.87 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.50 7.81 3 A 9.76 4.48 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 4 K 8.07 3.69 0.00 1.74 1.90 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.53 7.81 5 E 7.31 4.60 0.00 1.93 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 2.31 2.44 0.00 6 L 7.84 4.42 0.00 1.69 1.53 0.92 0.87 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 7 R 8.78 3.81 0.00 1.93 1.99 0.00 3.17 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 8 E 7.76 4.45 0.00 2.06 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 2.15 2.19 0.00 9 K 8.05 3.52 0.00 1.97 2.03 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.53 7.81 10 S 8.56 4.28 0.00 3.92 3.86 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 11 V 7.70 3.82 2.08 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 0.93 0.00 0.00 0.93 0.00 0.00 12 E 8.57 4.24 0.00 2.17 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 2.29 2.45 0.00 13 E 7.89 4.34 0.00 2.12 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 2.34 2.37 0.00 14 L 7.80 3.99 0.00 1.70 1.70 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.02 4.75 0.00 2.84 2.84 0.00 0.00 7.05 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 16 T 7.52 4.26 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 1.21 0.00 0.00 17 E 7.95 4.32 0.00 2.01 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 2.40 2.23 0.00 18 L 7.47 4.02 0.00 1.86 1.85 0.90 0.85 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 19 L 7.85 4.60 0.00 1.74 1.66 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.00 4.57 0.00 2.98 2.83 0.00 0.00 7.00 6.49 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 21 L 7.58 4.36 0.00 1.66 1.75 0.94 0.98 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 22 L 7.35 4.30 0.00 1.88 1.59 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.84 4.00 0.00 1.93 2.36 0.00 3.46 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 24 E 8.17 4.26 0.00 1.98 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 2.33 2.31 0.00 25 Q 7.82 4.42 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 26 F 9.53 4.08 0.00 3.05 3.09 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 0.00 0.00 0.00 0.00 27 N 8.48 4.41 0.00 3.09 2.89 0.00 0.00 6.75 6.19 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 28 L 7.89 4.01 0.00 1.72 1.71 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.60 4.53 0.00 1.87 1.79 0.00 3.15 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 30 M 7.81 4.54 0.00 1.95 1.78 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 31 Q 7.73 4.36 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 32 A 7.98 4.11 1.23 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 0.00 0.00 0.00 33 A 8.21 4.53 1.23 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 0.00 0.00 0.00 34 S 7.67 4.25 0.00 3.95 3.91 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 35 G 7.61 4.02 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 0.00 0.00 0.00 36 Q 7.04 4.41 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.85 6.08 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 37 L 8.51 3.52 0.00 1.96 1.67 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.54 4.33 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.39 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 39 Q 7.64 4.31 0.00 2.06 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 40 S 8.46 4.08 0.00 3.90 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 41 H 8.19 4.47 0.00 3.54 3.56 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.62 3.82 0.00 1.90 1.68 0.89 1.25 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 43 L 7.18 4.11 0.00 1.69 1.73 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.07 4.04 0.00 1.88 2.03 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.62 7.81 45 Q 8.42 4.26 0.00 2.40 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 5.90 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 46 V 8.40 3.39 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 0.86 0.00 0.00 1.05 0.00 0.00 47 R 7.06 4.40 0.00 2.06 1.82 0.00 3.19 0.00 0.00 3.17 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 48 R 7.22 3.71 0.00 1.97 2.01 0.00 3.18 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 49 D 8.07 4.43 0.00 2.69 2.72 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 50 V 8.65 3.91 2.18 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 1.06 0.00 0.00 1.02 0.00 0.00 51 A 7.81 4.31 1.33 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 0.00 0.00 0.00 52 R 8.27 4.20 0.00 1.99 1.97 0.00 3.25 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 53 V 7.26 3.82 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.01 0.00 0.00 54 K 7.74 4.41 0.00 1.81 1.79 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.71 7.81 55 T 7.74 3.86 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 1.21 0.00 0.00 56 L 7.79 4.19 0.00 1.80 1.73 0.92 1.07 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 57 L 7.65 4.29 0.00 1.70 1.72 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.13 4.61 0.00 3.12 2.84 0.00 0.00 6.60 7.28 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 59 E 7.61 4.32 0.00 2.16 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 0.00 2.40 2.31 0.00 60 K 7.30 4.21 0.00 1.82 2.05 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.43 1.38 7.81 61 A 7.83 4.22 1.31 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 0.00 0.00 62 G 9.99 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.78 4.16 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