NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0226 8.5798 109.1312 44.8837 0.0000 173.7269 2 R 3.8722 7.2402 117.7221 56.1526 30.5274 174.0196 3 L 5.1715 9.1789 120.8243 53.0555 46.3662 176.5495 4 F 5.1027 9.1277 119.7947 55.5637 42.4753 174.5886 5 K 4.9110 9.1957 124.7957 54.9124 33.7094 174.6681 6 I 4.8564 8.3677 121.6075 59.3778 40.7306 174.7769 7 T 5.4314 8.9419 119.6895 60.9651 72.2855 173.0350 8 A 4.7702 7.1371 126.0753 50.5720 23.7245 173.7256 9 C 5.4826 8.5122 117.8754 56.7026 34.7675 172.8878 10 V 4.6256 8.4152 125.3713 60.5765 33.7372 173.8458 11 P 4.5694 0.0000 0.0000 62.1280 32.5115 175.0324 12 S 4.6177 8.1975 114.8719 58.4585 65.4455 174.7709 13 Q 4.5729 8.1564 124.9443 57.2365 27.3171 177.3280 14 T 4.3801 8.4388 105.4408 61.3412 69.5781 175.2955 15 R 4.2120 7.6697 121.7420 55.9036 30.9454 176.6694 16 I 4.1615 7.9095 123.3000 59.2133 36.2735 174.4003 17 R 3.9484 8.3145 123.3032 56.7112 30.1512 177.1098 18 T 4.1814 8.4197 113.7455 63.3087 69.7558 175.3780 19 Q 4.0670 7.8252 122.5630 55.0732 29.7272 175.2739 20 R 3.9258 8.5919 124.4924 57.2075 30.3568 175.8293 21 E 4.6482 8.6575 122.5066 55.7200 31.2894 177.3827 22 L 4.0107 8.0417 121.7875 57.9364 42.1875 178.4666 23 Q 4.3175 8.0733 114.6143 57.6672 29.0638 176.0733 24 N 4.7199 8.1576 115.1851 54.1445 39.7576 176.3874 25 T 4.1377 7.7456 115.5743 65.7324 69.1443 172.9015 26 Y 5.0887 7.8047 121.4777 56.1734 39.9217 174.2406 27 F 5.2027 8.6504 120.8958 55.7166 42.3461 173.9564 28 T 5.7070 8.6870 115.1383 60.9997 71.0519 173.3689 29 K 4.8012 8.7002 125.3659 54.3236 36.3404 175.4097 30 L 4.8688 8.5305 123.2187 53.9453 42.7791 176.1667 31 V 4.4502 8.7844 125.0059 60.1687 33.9309 173.3918 32 P 4.7904 0.0000 0.0000 62.7299 32.2605 176.4128 33 Y 4.5865 9.2638 124.5411 61.0910 38.6591 178.3830 34 E 4.3902 8.5981 114.6696 58.2135 29.8761 176.6149 35 N 5.0521 8.6467 116.1211 52.2355 40.8098 176.0204 36 W 4.6431 8.4354 129.4613 60.6199 30.8334 177.3699 37 F 3.4296 8.1255 120.0951 61.0728 38.6793 176.9723 38 R 3.8319 7.8820 117.6366 59.3773 30.1197 177.9105 39 E 3.8633 8.1166 119.0503 59.3112 29.8483 178.2817 40 Q 3.2081 7.3489 119.7807 59.1637 28.7630 178.6277 41 Q 3.7564 7.3876 118.4883 58.6066 28.6546 178.6971 42 R 3.8119 7.8079 119.7531 59.5401 30.1855 178.4927 43 I 3.7375 7.6844 119.5430 64.5413 37.0857 178.4985 44 Q 3.8947 7.8098 118.1836 59.0636 28.4118 179.0340 45 K 4.0058 7.8435 117.8043 59.5953 32.0672 179.0962 46 M 4.2571 7.8544 118.5258 56.5899 31.8471 177.4512 47 G 4.0191 7.8298 106.4160 45.0553 0.0000 173.6434 48 G 3.8220 7.8609 108.1616 44.5435 0.0000 173.3752 49 K 4.3667 8.5769 123.6227 54.6134 34.0741 175.4103 50 I 4.2296 8.2213 128.8226 60.7248 36.9273 175.9850 51 V 3.7587 8.4544 128.5676 65.2243 31.8171 176.1882 52 K 4.7407 7.7309 119.8891 54.7599 36.2135 174.9618 53 V 4.6442 8.2381 124.3132 61.7352 34.3105 173.6117 54 E 4.7666 9.2593 127.0209 54.6159 34.0098 175.1252 55 L 4.4601 8.2999 123.7629 53.1840 41.5934 176.0354 56 A 4.1119 8.4548 127.1709 55.0549 18.3543 179.0221 57 T 3.7702 7.8737 102.6257 62.7651 68.8759 174.4326 58 G 3.7725 7.6482 116.2462 45.2199 0.0000 173.8528 59 K 3.8583 8.1154 118.8990 56.1834 33.0304 176.7324 60 Q 4.4401 8.5146 122.0189 55.7058 30.5733 175.4438 61 G 3.8722 8.7155 106.2793 46.3156 0.0000 173.7121 62 I 3.8852 7.6074 119.9732 61.1317 37.7784 175.5907 63 N 4.6540 8.7531 121.9448 54.8878 39.5728 175.4957 64 T 4.4944 7.5485 109.6314 61.6604 70.9756 173.4769 65 G 3.9997 8.9213 114.5074 46.3384 0.0000 173.6682 66 L 4.2710 7.5560 116.2206 54.4419 42.9096 177.5734 67 A 4.1530 8.0123 127.1561 52.6312 18.2351 177.1994 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 G 8.58 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 2 R 7.24 3.87 0.00 1.68 1.96 0.00 2.68 0.00 0.00 2.86 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 3 L 9.18 5.17 0.00 1.58 1.54 0.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 4 F 9.13 5.10 0.00 2.79 2.25 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 0.00 5 K 9.20 4.91 0.00 1.73 1.65 0.00 1.59 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.34 7.81 6 I 8.37 4.86 1.67 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.54 -0.43 0.00 0.00 7 T 8.94 5.43 4.16 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 1.21 0.00 0.00 8 A 7.14 4.77 0.68 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 0.00 0.00 9 C 8.51 5.48 0.00 2.37 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 10 V 8.42 4.63 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 0.92 0.00 0.00 1.12 0.00 0.00 11 P 0.00 4.57 0.00 2.09 2.02 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 12 S 8.20 4.62 0.00 3.87 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 13 Q 8.16 4.57 0.00 2.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 14 T 8.44 4.38 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 1.21 0.00 0.00 15 R 7.67 4.21 0.00 1.82 1.89 0.00 3.35 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.59 0.00 16 I 7.91 4.16 1.87 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 1.42 0.81 0.92 0.00 0.00 17 R 8.31 3.95 0.00 1.81 1.91 0.00 3.36 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 18 T 8.42 4.18 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 1.21 0.00 0.00 19 Q 7.83 4.07 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 20 R 8.59 3.93 0.00 1.82 1.86 0.00 3.24 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 21 E 8.66 4.65 0.00 2.01 1.93 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 2.51 2.20 0.00 22 L 8.04 4.01 0.00 1.75 1.71 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.07 4.32 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 24 N 8.16 4.72 0.00 2.86 2.88 0.00 0.00 7.01 7.34 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 25 T 7.75 4.14 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 26 Y 7.80 5.09 0.00 3.06 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 8.65 5.20 0.00 3.09 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 28 T 8.69 5.71 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 1.24 0.00 0.00 29 K 8.70 4.80 0.00 1.97 1.76 0.00 1.71 0.00 0.00 2.02 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.53 7.81 30 L 8.53 4.87 0.00 1.53 1.63 0.94 0.84 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 31 V 8.78 4.45 2.04 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 1.36 0.00 0.00 1.02 0.00 0.00 32 P 0.00 4.79 0.00 2.56 2.17 0.00 3.79 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 33 Y 9.26 4.59 0.00 3.09 3.07 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 0.00 0.00 0.00 34 E 8.60 4.39 0.00 2.23 2.24 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 2.40 2.38 0.00 35 N 8.65 5.05 0.00 2.87 2.91 0.00 0.00 6.51 7.22 0.00 0.00 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 W 8.44 4.64 0.00 3.25 2.79 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 0.00 0.00 0.00 37 F 8.13 3.43 0.00 2.95 2.89 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 38 R 7.88 3.83 0.00 2.00 2.01 0.00 3.30 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 39 E 8.12 3.86 0.00 2.28 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 0.00 2.71 2.66 0.00 40 Q 7.35 3.21 0.00 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 41 Q 7.39 3.76 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 1.94 2.11 0.00 42 R 7.81 3.81 0.00 1.86 2.03 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 43 I 7.68 3.74 1.99 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.75 0.93 0.00 0.00 44 Q 7.81 3.89 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 45 K 7.84 4.01 0.00 1.69 1.84 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.50 7.81 46 M 7.85 4.26 0.00 2.01 2.35 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 2.55 0.00 47 G 7.83 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 48 G 7.86 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.58 4.37 0.00 1.75 1.59 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.50 7.81 50 I 8.22 4.23 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.63 0.99 0.00 0.00 51 V 8.45 3.76 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 0.74 0.00 0.00 0.71 0.00 0.00 52 K 7.73 4.74 0.00 1.79 1.52 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.41 7.81 53 V 8.24 4.64 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 0.63 0.00 0.00 1.01 0.00 0.00 54 E 9.26 4.77 0.00 1.89 1.77 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 2.21 2.21 0.00 55 L 8.30 4.46 0.00 1.64 1.46 0.35 0.80 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 A 8.45 4.11 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 57 T 7.87 3.77 4.16 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 1.19 0.00 0.00 58 G 7.65 3.77 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 0.00 0.00 0.00 59 K 8.12 3.86 0.00 1.69 1.75 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.48 7.81 60 Q 8.51 4.44 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.43 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 61 G 8.72 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.61 3.89 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.61 0.93 0.00 0.00 63 N 8.75 4.65 0.00 2.67 2.84 0.00 0.00 6.72 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 7.55 4.49 4.23 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 1.20 0.00 0.00 65 G 8.92 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 66 L 7.56 4.27 0.00 1.66 1.62 0.83 0.72 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 67 A 8.01 4.15 1.25 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 0.00 0.00 0.00