NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3809 8.1633 120.2595 55.3352 34.3118 173.4015 2 Q 4.7825 8.2575 118.9362 54.0493 30.7784 173.6259 3 Y 5.0673 9.7132 122.4833 56.1916 42.1212 174.4482 4 K 4.7836 9.1850 123.1460 55.3665 34.1677 175.2644 5 L 4.5443 8.6672 127.8227 53.4023 43.9220 174.9241 6 I 4.6857 8.7966 128.3098 59.9833 39.0039 174.3492 7 L 4.7182 8.8648 130.5156 53.7666 43.6979 174.7695 8 N 5.2551 9.7748 125.4016 51.0914 39.6017 173.5389 9 G 4.1839 9.6576 112.4483 43.0077 0.0000 170.8216 10 K 3.8460 7.8153 120.2088 57.7475 32.7335 176.0894 11 T 4.1781 8.1994 114.8875 65.8731 69.8676 175.1811 12 L 4.6559 8.0155 119.3650 53.1235 45.9985 174.2475 13 K 4.9859 9.0337 121.8791 53.8682 34.6616 175.7084 14 G 4.0599 7.6839 113.2438 46.6220 0.0000 170.4579 15 E 5.3416 8.5524 118.7190 54.6392 32.6344 175.8215 16 T 4.5394 8.7517 115.0298 60.0085 71.7243 173.2101 17 T 4.7378 8.5916 123.0908 63.1748 69.4514 174.0766 18 T 4.5147 8.8105 124.1014 61.6820 71.3180 174.4092 19 E 4.8226 8.9703 126.1250 56.1769 27.6605 176.3366 20 A 4.2386 8.4703 124.0062 51.0399 19.9231 177.4382 21 V 3.7156 8.1074 119.0556 63.2598 31.9918 171.9104 22 D 4.8749 7.8247 116.1594 52.6377 45.1847 177.4960 23 A 3.0353 8.0060 127.9333 54.1058 20.2554 178.9156 24 A 3.9143 7.8922 117.5453 55.6583 18.4138 179.7655 25 T 3.6389 7.7235 112.5617 66.7698 68.6084 176.5961 26 A 2.9995 7.4397 122.0439 54.6078 18.0240 179.6141 27 E 2.9525 7.3459 116.9447 59.1736 29.1005 179.6735 28 K 3.9187 7.5563 118.0692 59.2774 32.3212 179.4937 29 V 3.5102 7.7181 118.9377 65.9568 31.4190 178.1294 30 F 4.5098 7.6944 117.6016 59.9600 38.6663 177.6705 31 K 4.0613 8.0747 119.8640 59.6577 31.9310 178.3792 32 Q 4.0015 7.7767 119.2981 59.5512 28.9456 177.9571 33 Y 4.0709 8.0894 119.7495 60.4250 38.8373 177.1629 34 A 3.8877 8.1619 121.7058 55.6091 18.3523 179.5315 35 N 4.3416 8.1613 113.2413 56.3591 38.6228 177.1633 36 D 4.4456 8.1897 120.1405 56.9142 40.9697 177.6821 37 N 4.5817 8.2146 114.9546 53.1346 39.2183 174.9094 38 G 3.5971 7.3603 111.3682 45.6290 0.0000 174.9688 39 V 3.9769 7.2892 121.5138 61.3351 29.9322 173.1107 40 D 4.7484 7.9240 121.4513 52.7705 43.0251 176.0929 41 G 4.1243 7.9545 114.9312 46.5577 0.0000 171.6486 42 E 4.5581 8.4223 122.4567 54.8477 31.7908 175.2715 43 W 5.6737 8.6638 123.2387 55.4507 31.0199 175.5465 44 T 4.7449 8.8331 114.3051 60.1336 71.7957 172.2347 45 Y 5.0330 8.1455 122.2732 56.1315 42.3280 173.4030 46 D 4.4763 8.9040 124.8119 52.4932 44.1885 175.9234 47 D 3.9864 8.5098 125.7673 57.4624 41.1700 178.6686 48 A 3.9861 7.7668 120.5978 54.8158 18.3978 178.2528 49 T 4.3283 7.8030 103.0712 60.6675 69.5269 174.4769 50 K 4.1133 7.9666 120.9176 58.3854 30.5877 174.3620 51 T 5.1758 8.2649 114.4962 61.7596 71.6352 173.3814 52 F 5.2265 9.4418 128.9713 56.6497 42.3501 173.8190 53 T 5.1563 8.6956 122.6052 61.8448 71.3697 173.3586 54 V 4.7667 9.0056 127.1366 62.1618 32.8751 174.5159 55 T 4.7906 9.1171 125.5420 61.3952 71.4675 175.1032 56 E 4.1463 8.7002 122.8587 56.8450 29.5245 176.9640 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 4.38 0.00 1.56 1.44 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 2.45 2.44 0.00 2 Q 8.26 4.78 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 3 Y 9.71 5.07 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.18 4.78 0.00 1.81 1.76 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.45 7.81 5 L 8.67 4.54 0.00 0.27 1.09 0.55 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.80 4.69 1.89 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 1.12 0.59 0.93 0.00 0.00 7 L 8.86 4.72 0.00 1.80 1.57 0.95 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 8 N 9.77 5.26 0.00 2.67 2.70 0.00 0.00 7.24 8.33 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 9 G 9.66 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 0.00 0.00 0.00 0.00 10 K 7.82 3.85 0.00 1.85 1.68 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.44 7.81 11 T 8.20 4.18 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 1.21 0.00 0.00 12 L 8.02 4.66 0.00 1.66 1.51 0.91 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 13 K 9.03 4.99 0.00 1.73 1.66 0.00 1.92 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.31 1.53 7.81 14 G 7.68 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.55 5.34 0.00 1.80 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 2.20 2.27 0.00 16 T 8.75 4.54 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 1.15 0.00 0.00 17 T 8.59 4.74 4.24 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 1.23 0.00 0.00 18 T 8.81 4.51 4.49 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 1.20 0.00 0.00 19 E 8.97 4.82 0.00 1.84 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 2.31 0.00 20 A 8.47 4.24 1.21 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 21 V 8.11 3.72 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 0.72 0.00 0.00 0.92 0.00 0.00 22 D 7.82 4.87 0.00 2.74 2.44 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 23 A 8.01 3.04 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 24 A 7.89 3.91 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.72 3.64 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 1.14 0.00 0.00 26 A 7.44 3.00 0.43 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 27 E 7.35 2.95 0.00 1.94 1.70 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 2.05 2.23 0.00 28 K 7.56 3.92 0.00 1.82 1.77 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.41 7.81 29 V 7.72 3.51 1.57 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 0.93 0.00 0.00 0.79 0.00 0.00 30 F 7.69 4.51 0.00 2.16 2.39 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 31 K 8.07 4.06 0.00 2.08 1.90 0.00 1.96 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.64 1.97 7.81 32 Q 7.78 4.00 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.65 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 33 Y 8.09 4.07 0.00 3.18 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 34 A 8.16 3.89 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.16 4.34 0.00 2.86 2.91 0.00 0.00 7.56 7.86 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 36 D 8.19 4.45 0.00 2.74 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.21 4.58 0.00 2.45 2.67 0.00 0.00 6.27 6.98 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 38 G 7.36 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.29 3.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.96 0.00 0.00 40 D 7.92 4.75 0.00 2.86 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 41 G 7.95 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 42 E 8.42 4.56 0.00 1.98 1.87 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 2.24 2.29 0.00 43 W 8.66 5.67 0.00 3.22 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 T 8.83 4.74 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 1.21 0.00 0.00 45 Y 8.15 5.03 0.00 2.04 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 46 D 8.90 4.48 0.00 2.60 2.31 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 47 D 8.51 3.99 0.00 2.61 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.77 3.99 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 49 T 7.80 4.33 4.24 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 1.20 0.00 0.00 50 K 7.97 4.11 0.00 2.03 2.00 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.70 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.37 7.81 51 T 8.26 5.18 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 1.24 0.00 0.00 52 F 9.44 5.23 0.00 3.25 2.68 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 0.00 0.00 0.00 0.00 53 T 8.70 5.16 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 1.31 0.00 0.00 54 V 9.01 4.77 2.20 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 1.21 0.00 0.00 1.12 0.00 0.00 55 T 9.12 4.79 4.42 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 1.29 0.00 0.00 56 E 8.70 4.15 0.00 1.97 1.88 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 2.33 2.46 0.00