NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6732 8.2827 119.2046 53.5357 41.0654 176.1486 4 L 3.7571 7.7463 119.2467 57.3429 42.1502 177.0077 5 N 4.3160 8.2823 116.4247 56.3139 38.8721 176.4711 6 Q 4.0252 8.0275 120.4543 59.0710 29.1245 178.1896 7 I 3.6594 7.3005 120.5848 64.3462 36.9625 177.8273 8 Q 3.9241 8.0417 119.2275 59.3300 29.2301 177.9486 9 K 3.9274 8.5133 120.5092 60.1227 32.2053 178.4047 10 E 3.9927 8.5251 118.5686 59.2771 29.3691 179.5071 11 V 3.6055 8.0209 118.5600 66.3055 31.4425 178.3600 12 S 4.2157 8.0369 114.5644 61.4316 62.6359 176.2117 13 E 3.9174 8.1414 121.6519 59.1628 29.3905 178.7726 14 I 3.6503 7.8569 119.8421 64.3540 37.3554 178.0557 15 L 3.9651 8.3771 121.7266 58.1937 41.7387 179.2320 16 S 4.1451 8.4028 114.4471 61.4319 63.0132 176.0626 17 D 4.3141 8.1030 122.6917 57.0563 40.5093 178.1868 18 Q 3.9282 7.9364 120.0123 59.5418 28.4133 179.0158 19 K 3.8556 7.9205 118.9307 59.7979 32.0479 179.2839 20 S 4.3005 7.8333 113.7039 61.0570 63.0716 176.5039 21 M 4.0282 8.3644 123.1003 58.0765 31.8156 178.1030 22 K 3.7695 8.3331 119.9571 59.8289 32.2451 178.5319 23 A 4.0087 7.7066 119.7363 55.2887 18.3001 179.4209 24 D 4.3377 7.8641 117.4967 57.3109 40.8759 179.1420 25 I 3.6765 8.0803 120.7221 64.2665 37.0870 178.0287 26 K 3.8072 7.9353 120.0971 59.6427 31.7737 178.3403 27 A 3.9665 8.0140 120.5608 55.4653 18.4106 179.6528 28 I 3.4373 7.8697 118.2296 64.3472 37.0665 178.5708 29 L 3.9344 8.4476 121.5936 58.0621 41.9061 178.5386 30 E 3.8996 8.3336 119.5317 59.3191 29.3423 178.7590 31 L 3.9818 8.4923 118.5674 57.9541 41.7902 179.3063 32 L 4.2652 7.9293 117.8041 57.4786 41.8512 179.4266 33 G 3.7997 8.6857 106.5844 47.3263 0.0000 175.5046 34 S 4.3186 8.0727 112.9818 57.8695 63.1170 173.5948 35 Q 4.4874 7.6213 122.4809 54.3394 31.8942 174.5522 36 N 4.4705 8.7515 122.1432 52.5044 39.3644 173.4600 37 P 4.2615 0.0000 0.0000 63.2672 33.4071 177.8893 38 I 3.8023 8.3656 121.1905 63.9997 37.0475 178.9443 39 K 3.9162 7.9797 119.3655 59.4398 32.0056 178.5921 40 E 3.9482 8.1649 118.0663 59.8136 29.4541 179.2313 41 S 4.0751 7.7690 114.6640 61.8229 62.9301 176.5648 42 L 3.9392 7.8972 121.1783 58.2210 41.4719 179.7121 43 E 3.9700 8.2103 118.1808 59.7143 29.4357 179.6463 44 T 3.9030 7.9334 109.8433 64.6023 68.7727 176.7797 45 V 3.4722 7.8363 120.8379 65.8387 31.6724 177.6235 46 A 4.0066 8.4139 120.6773 55.3314 18.0989 179.4479 47 A 3.9282 8.0040 119.0133 55.2682 18.4857 179.8487 48 K 3.9168 7.9984 118.1743 59.4678 32.3440 178.7975 49 I 3.6594 8.1448 120.6203 64.8024 37.0247 178.7848 50 V 3.6243 7.8496 112.7519 64.4749 31.4411 178.2118 51 N 4.1635 8.1400 116.7955 56.8276 38.6745 176.6479 52 D 4.3834 8.1900 120.3273 57.2016 41.0213 178.7162 53 L 4.0490 7.9191 119.0909 57.6404 41.4918 179.7106 54 T 3.9349 8.6010 116.7974 66.4387 68.2046 176.9268 55 K 3.9278 7.9541 119.4090 59.2242 32.4390 178.8009 56 L 4.0909 8.0790 120.5812 58.3075 42.0833 179.2273 57 I 3.7231 7.7452 119.4965 64.4894 36.9785 178.0856 58 N 4.5833 8.1264 115.0478 55.1942 38.3976 175.9468 59 D 4.4369 7.7666 118.0768 53.8965 43.1213 175.1184 60 C 4.0574 8.4680 116.9667 60.5989 25.8399 172.3399 61 P 4.2884 0.0000 0.0000 65.6008 31.8985 178.0965 62 C 4.4074 7.9278 113.9852 60.9467 29.0230 175.3605 63 N 4.4772 8.1237 117.9485 56.0983 37.6922 177.1483 64 K 3.9887 8.1214 119.5152 59.4206 31.9652 178.7140 65 E 3.9457 8.0664 118.8663 59.5703 29.6730 178.9211 66 I 3.7854 7.4003 118.3551 64.1766 37.0013 178.4132 67 L 3.9846 8.4723 120.4492 57.8890 41.1823 179.4237 68 E 3.8207 7.8025 117.1787 59.2019 29.5000 178.9171 69 A 4.1180 7.6571 119.8056 54.5206 18.4127 179.0768 70 L 4.3973 7.9418 117.1738 56.8760 42.6120 179.2741 71 G 4.0081 8.5711 105.8094 44.1628 0.0000 172.7043 72 T 4.7517 7.2312 112.7669 60.1548 71.1334 171.8736 73 Q 4.7248 8.1372 121.6047 53.0060 32.5208 174.1183 74 P 4.4216 0.0000 0.0000 63.0395 31.3256 176.6583 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 3 N 8.28 4.67 0.00 2.77 2.88 0.00 0.00 6.73 5.78 0.00 0.00 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 L 7.75 3.76 0.00 1.88 1.63 0.92 0.38 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 5 N 8.28 4.32 0.00 2.85 2.85 0.00 0.00 6.79 7.74 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 6 Q 8.03 4.03 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 7 I 7.30 3.66 2.02 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 1.41 0.52 0.91 0.00 0.00 8 Q 8.04 3.92 0.00 2.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 9 K 8.51 3.93 0.00 1.87 2.02 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 10 E 8.53 3.99 0.00 2.10 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 0.00 2.33 2.47 0.00 11 V 8.02 3.61 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 0.95 0.00 0.00 1.02 0.00 0.00 12 S 8.04 4.22 0.00 4.08 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 13 E 8.14 3.92 0.00 2.03 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 2.38 2.40 0.00 14 I 7.86 3.65 2.07 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 1.41 0.56 0.91 0.00 0.00 15 L 8.38 3.97 0.00 1.70 1.82 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.40 4.15 0.00 4.07 4.10 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 0.00 0.00 0.00 0.00 17 D 8.10 4.31 0.00 2.79 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 18 Q 7.94 3.93 0.00 2.37 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 19 K 7.92 3.86 0.00 2.05 1.86 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.72 1.62 7.81 20 S 7.83 4.30 0.00 4.00 4.11 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 21 M 8.36 4.03 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.54 0.00 22 K 8.33 3.77 0.00 1.98 1.98 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 23 A 7.71 4.01 1.36 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 0.00 0.00 0.00 24 D 7.86 4.34 0.00 2.78 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 25 I 8.08 3.68 1.87 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 1.41 0.75 0.91 0.00 0.00 26 K 7.94 3.81 0.00 2.04 2.01 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.63 7.81 27 A 8.01 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.87 3.44 2.00 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 1.41 1.07 0.91 0.00 0.00 29 L 8.45 3.93 0.00 1.80 1.81 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.33 3.90 0.00 2.24 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 0.00 2.31 2.35 0.00 31 L 8.49 3.98 0.00 1.86 1.72 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.93 4.27 0.00 1.83 1.72 0.92 0.71 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 33 G 8.69 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.32 0.00 4.02 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 35 Q 7.62 4.49 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 36 N 8.75 4.47 0.00 2.73 2.87 0.00 0.00 7.02 8.02 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 37 P 0.00 4.26 0.00 2.15 2.01 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 38 I 8.37 3.80 1.87 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 1.64 0.84 0.91 0.00 0.00 39 K 7.98 3.92 0.00 1.79 1.85 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.53 7.81 40 E 8.16 3.95 0.00 2.15 2.01 0.00 0.00 0.00 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 2.42 0.00 41 S 7.77 4.08 0.00 3.95 3.92 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 42 L 7.90 3.94 0.00 1.88 1.75 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.21 3.97 0.00 2.28 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 2.33 2.32 0.00 44 T 7.93 3.90 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 45 V 7.84 3.47 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 1.03 0.00 0.00 0.93 0.00 0.00 46 A 8.41 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 3.93 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 48 K 8.00 3.92 0.00 1.86 1.95 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.53 7.81 49 I 8.14 3.66 2.05 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 1.52 1.15 0.91 0.00 0.00 50 V 7.85 3.62 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 0.84 0.00 0.00 1.01 0.00 0.00 51 N 8.14 4.16 0.00 3.01 2.81 0.00 0.00 7.27 8.54 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 52 D 8.19 4.38 0.00 2.81 2.69 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 0.00 0.00 0.00 53 L 7.92 4.05 0.00 1.85 1.71 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.60 3.93 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 55 K 7.95 3.93 0.00 1.91 1.88 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.55 7.81 56 L 8.08 4.09 0.00 1.82 1.86 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.75 3.72 1.93 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 1.52 0.40 0.91 0.00 0.00 58 N 8.13 4.58 0.00 2.85 2.88 0.00 0.00 7.04 7.99 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 59 D 7.77 4.44 0.00 2.98 2.74 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 60 C 8.47 4.06 0.00 3.11 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 61 P 0.00 4.29 0.00 2.03 2.12 0.00 3.67 0.00 0.00 3.76 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 62 C 7.93 4.41 0.00 2.98 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 N 8.12 4.48 0.00 3.00 2.86 0.00 0.00 6.84 6.97 0.00 0.00 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 K 8.12 3.99 0.00 1.79 1.87 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 65 E 8.07 3.95 0.00 2.03 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 0.00 2.37 2.40 0.00 66 I 7.40 3.79 1.87 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 1.52 0.55 0.91 0.00 0.00 67 L 8.47 3.98 0.00 1.83 1.72 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 68 E 7.80 3.82 0.00 2.09 2.01 0.00 0.00 0.00 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 2.32 0.00 69 A 7.66 4.12 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 70 L 7.94 4.40 0.00 1.61 1.72 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.57 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.23 4.75 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 1.25 0.00 0.00 73 Q 8.14 4.72 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 74 P 0.00 4.42 0.00 2.04 1.96 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00