NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4754 8.3349 115.4123 58.3185 64.1808 174.7700 5 E 3.9186 8.8819 120.0352 57.8413 30.9666 174.2236 6 V 3.5589 8.1396 117.9789 66.1774 32.5910 177.3428 7 R 3.9975 8.2944 117.9008 60.2794 29.5698 177.0408 8 K 4.0652 7.9419 118.9918 58.5235 32.0466 178.1097 9 Q 4.0478 8.0747 119.6387 59.4098 29.0035 178.9062 10 L 4.1270 8.3909 121.7710 58.1735 42.0581 178.5391 11 E 4.0341 8.2276 118.3989 59.0539 29.6921 176.6124 12 E 3.9795 8.8753 120.6283 56.9932 30.1922 176.9848 13 A 4.0455 8.6519 125.8035 55.2611 19.1512 178.9277 14 R 3.8272 7.8966 115.8683 57.5749 30.5021 175.4290 15 K 3.7530 8.6449 126.1506 54.9132 28.7199 175.2317 16 L 5.1861 7.4061 126.1759 54.8347 42.6872 174.0247 17 S 4.3776 7.2211 122.9093 57.3761 67.9860 175.8711 18 P 4.3885 0.0000 0.0000 65.5505 30.9224 178.1770 19 V 3.6711 7.7773 117.2870 65.4683 31.2895 177.7604 20 E 3.9952 8.0869 118.3107 59.1301 29.3873 178.8545 21 L 3.9375 7.8156 118.5173 57.9835 41.7229 178.8229 22 E 4.0296 8.1089 119.0650 59.3161 29.1746 179.3155 23 K 4.0009 7.6915 118.5013 59.3108 32.2603 178.8507 24 L 3.9522 8.1276 120.8295 58.3171 41.8327 179.5229 25 V 3.6041 8.2255 112.5436 64.6210 31.6705 178.7798 26 R 3.7030 7.7429 117.4335 58.8508 29.7725 178.8040 27 E 4.1060 7.8242 118.4081 58.8464 29.7390 178.8580 28 K 4.0327 8.2825 118.8893 59.1952 31.9758 179.5055 29 K 3.9247 8.8224 119.4337 59.4561 31.8192 178.9602 30 R 3.8663 7.4397 116.8021 60.1616 30.1967 177.5466 31 E 3.8841 8.8630 117.7631 59.6752 29.4190 179.2869 32 L 3.8617 8.4036 119.8615 58.5986 42.3528 178.8969 33 M 4.0878 8.2832 118.1912 58.9747 32.0935 177.6982 34 E 3.8856 8.7300 118.7341 59.5232 29.6781 179.1355 35 L 4.0031 8.0043 118.1090 58.2258 41.6123 179.4092 36 R 3.9191 8.3436 117.8494 59.5905 29.9947 178.6662 37 F 4.1270 8.7611 117.0961 61.0183 38.8253 177.8305 38 Q 4.0363 8.1677 115.5313 59.1156 28.7672 178.7306 39 A 4.1285 8.5043 122.0883 54.9847 18.1660 179.4459 40 S 4.0076 8.5806 112.1383 61.5606 62.6302 176.2098 41 I 3.9376 7.8619 112.8076 61.2208 37.4548 176.4125 42 G 3.7581 8.7661 112.0510 45.9164 0.0000 173.1160 43 Q 4.1508 8.2344 121.7460 54.5280 30.5646 177.6969 44 L 4.9944 9.4964 113.8240 54.0497 46.0533 174.7858 45 S 4.5803 7.3330 109.1657 58.1214 65.6342 175.4006 46 Q 4.4455 7.3366 124.6603 55.0834 28.6801 178.0724 47 N 3.7343 8.0588 117.2613 55.3053 40.7749 178.8746 48 H 4.0090 7.3079 113.5649 56.6506 30.7462 176.9540 49 K 4.0814 7.8293 118.8518 58.8880 31.7187 179.2419 50 I 3.7744 8.3615 114.1012 64.1694 37.3296 178.5723 51 R 3.9279 7.9320 117.9316 58.5609 29.2450 177.6655 52 D 4.3584 7.6258 118.0975 57.4147 41.4354 178.0928 53 L 4.2172 8.8109 121.4035 58.0412 42.1831 178.7928 54 K 3.9871 8.4886 118.5023 59.9178 32.0492 178.9225 55 R 3.9668 8.4849 118.3475 59.8022 29.9631 178.7347 56 Q 3.9842 8.6101 118.0174 58.7358 28.3680 178.6593 57 I 3.6316 7.7515 119.7091 64.9908 36.8920 177.3809 58 A 3.9645 8.0450 120.8021 55.8627 18.0258 179.3221 59 R 4.3060 8.3437 116.1389 58.8283 30.2298 178.8382 60 L 3.9468 8.7315 118.2600 58.1800 41.8571 179.9518 61 L 3.9691 8.9665 119.4003 58.0669 41.6464 179.3828 62 T 3.8845 8.9749 110.4720 65.2639 68.3698 176.3266 63 V 3.5855 8.1965 121.2756 65.4494 31.6189 177.6306 64 L 4.0340 8.1657 120.5107 58.0709 41.7374 178.6744 65 N 4.2270 8.6289 117.3462 56.7236 38.7923 176.2006 66 E 3.8351 8.3125 119.6648 60.3911 29.9699 178.3071 67 K 3.9393 8.7958 118.7490 58.0044 31.6183 178.9967 68 R 3.8813 7.9254 121.9749 60.1628 30.6340 178.2176 69 R 3.8674 8.4915 117.0033 61.8600 30.4505 179.0411 70 Q 4.3209 8.1949 120.6390 55.8298 30.2541 173.8425 71 N 3.9502 9.2782 116.4222 54.2054 38.0168 175.7445 72 A 4.1896 8.3311 121.6890 52.1512 18.7745 177.5563 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 4 S 8.33 4.48 0.00 3.99 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.88 3.92 0.00 2.18 2.03 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 2.39 2.41 0.00 6 V 8.14 3.56 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 1.02 0.00 0.00 0.93 0.00 0.00 7 R 8.29 4.00 0.00 2.00 2.10 0.00 3.23 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 8 K 7.94 4.07 0.00 1.89 1.81 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 9 Q 8.07 4.05 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 10 L 8.39 4.13 0.00 1.87 1.77 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.23 4.03 0.00 1.99 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 2.32 2.36 0.00 12 E 8.88 3.98 0.00 1.93 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 2.32 2.30 0.00 13 A 8.65 4.05 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 14 R 7.90 3.83 0.00 2.12 1.86 0.00 3.38 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 15 K 8.64 3.75 0.00 1.95 1.87 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.35 7.81 16 L 7.41 5.19 0.00 1.71 1.68 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.22 4.38 0.00 4.10 3.36 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 18 P 0.00 4.39 0.00 2.28 2.34 0.00 3.70 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 2.07 2.01 0.00 19 V 7.78 3.67 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 1.06 0.00 0.00 0.93 0.00 0.00 20 E 8.09 4.00 0.00 2.24 1.97 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 0.00 2.40 2.39 0.00 21 L 7.82 3.94 0.00 1.91 1.71 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.11 4.03 0.00 2.18 2.12 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 2.32 2.38 0.00 23 K 7.69 4.00 0.00 2.06 1.82 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.74 7.81 24 L 8.13 3.95 0.00 1.84 1.80 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.23 3.60 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 0.82 0.00 0.00 0.99 0.00 0.00 26 R 7.74 3.70 0.00 1.95 1.99 0.00 3.11 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.03 0.00 27 E 7.82 4.11 0.00 2.16 1.98 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 2.29 2.57 0.00 28 K 8.28 4.03 0.00 1.89 1.86 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.63 7.81 29 K 8.82 3.92 0.00 1.91 1.87 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.60 7.81 30 R 7.44 3.87 0.00 1.89 2.16 0.00 3.27 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 31 E 8.86 3.88 0.00 2.20 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 2.33 2.54 0.00 32 L 8.40 3.86 0.00 1.90 2.00 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.28 4.09 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.96 0.00 34 E 8.73 3.89 0.00 2.13 1.98 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 2.46 2.47 0.00 35 L 8.00 4.00 0.00 1.94 1.77 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.34 3.92 0.00 2.24 1.97 0.00 3.12 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 37 F 8.76 4.13 0.00 3.25 3.17 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 38 Q 8.17 4.04 0.00 2.20 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 39 A 8.50 4.13 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 40 S 8.58 4.01 0.00 3.73 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 41 I 7.86 3.94 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.70 1.04 0.00 0.00 42 G 8.77 3.76 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 0.00 0.00 0.00 43 Q 8.23 4.15 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.64 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 44 L 9.50 4.99 0.00 1.63 1.62 0.93 0.73 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 45 S 7.33 4.58 0.00 3.77 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.34 4.45 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.14 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 47 N 8.06 3.73 0.00 3.00 3.12 0.00 0.00 5.90 7.90 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 48 H 7.31 4.01 0.00 3.33 3.57 0.00 5.48 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.83 4.08 0.00 1.86 1.87 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.10 1.52 7.81 50 I 8.36 3.77 1.88 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 1.59 1.18 0.93 0.00 0.00 51 R 7.93 3.93 0.00 2.07 2.24 0.00 3.01 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.70 0.00 52 D 7.63 4.36 0.00 2.87 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 53 L 8.81 4.22 0.00 1.90 1.63 1.01 -0.24 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 54 K 8.49 3.99 0.00 1.99 1.87 0.00 1.74 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 1.48 1.72 7.81 55 R 8.48 3.97 0.00 2.03 2.00 0.00 3.24 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 56 Q 8.61 3.98 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 57 I 7.75 3.63 1.88 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 1.90 1.12 0.92 0.00 0.00 58 A 8.04 3.96 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 59 R 8.34 4.31 0.00 2.16 1.99 0.00 3.18 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 60 L 8.73 3.95 0.00 1.86 1.76 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.97 3.97 0.00 1.78 1.71 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.97 3.88 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 63 V 8.20 3.59 2.23 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 0.93 0.00 0.00 0.97 0.00 0.00 64 L 8.17 4.03 0.00 1.92 1.80 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 65 N 8.63 4.23 0.00 3.03 2.83 0.00 0.00 6.76 7.68 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 66 E 8.31 3.84 0.00 2.11 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 0.00 2.34 2.39 0.00 67 K 8.80 3.94 0.00 2.07 1.70 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.53 7.81 68 R 7.93 3.88 0.00 1.81 2.04 0.00 3.36 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.83 0.00 69 R 8.49 3.87 0.00 1.87 2.13 0.00 3.32 0.00 0.00 3.15 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 70 Q 8.19 4.32 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 71 N 9.28 3.95 0.00 2.70 2.55 0.00 0.00 6.93 7.96 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 72 A 8.33 4.19 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00