NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3669 8.1233 123.5840 51.7438 19.6355 177.4863 5 L 3.8445 8.5543 124.0439 57.7205 41.6015 177.8154 6 L 4.1602 8.7620 119.7670 58.0433 42.0308 179.4506 7 R 4.0210 7.9535 117.3339 59.2958 30.1281 178.9649 8 Q 3.9598 8.1908 117.6405 58.8278 28.7518 178.5515 9 A 3.6559 8.8467 122.9009 55.2755 18.3995 178.8236 10 Y 4.0338 8.2753 118.1063 61.0575 38.6921 178.4391 11 S 3.9154 8.4038 114.8337 61.6529 63.1217 176.4979 12 A 4.0397 8.1936 122.0865 54.3543 18.2301 178.4823 13 L 4.2610 7.5315 115.1137 56.5566 43.0516 178.2562 14 F 5.0501 7.1433 114.1436 59.1187 39.4798 177.2005 15 R 3.6746 7.4352 121.2149 58.9599 30.3233 177.0032 16 R 4.2228 7.6195 116.5721 55.7794 31.8316 177.6475 17 T 3.9636 8.6683 120.7041 66.6556 68.4535 176.8019 18 S 4.1633 8.0375 116.0177 61.8261 63.0963 176.6354 19 T 3.9816 7.9008 113.2699 63.9792 68.7609 176.2157 20 F 4.1337 8.4215 123.6636 61.0763 39.3513 177.0171 21 A 4.1584 8.2373 120.4023 55.0502 18.1511 179.3577 22 L 3.9138 7.9993 118.9331 58.6014 42.0581 179.4125 23 T 3.8243 8.1766 116.0876 66.3494 68.3201 176.9883 24 V 3.4522 7.4721 119.9545 65.9061 31.4934 178.1176 25 V 3.5273 7.9087 118.0535 66.0809 31.5886 177.7166 26 L 4.0357 8.3234 120.2974 58.0827 41.8171 179.3418 27 G 3.6014 8.3780 106.0577 47.4742 0.0000 175.6792 28 A 4.0128 8.4063 123.5467 55.0706 18.0034 179.5895 29 V 3.6003 7.9930 117.0178 66.5537 31.5916 178.2453 30 L 4.1394 7.9504 117.9336 57.4684 41.5231 179.1675 31 F 4.1568 8.5013 120.9791 61.2690 39.3353 176.4778 32 E 3.9164 8.9894 119.3218 59.2059 29.3125 178.3763 33 R 3.8336 7.7667 117.1800 59.6515 30.1280 178.2975 34 A 3.9367 7.8066 119.5764 55.1625 18.4084 179.2282 35 F 3.8146 8.2974 119.4369 61.5063 39.2290 176.9069 36 D 4.1272 8.5071 118.7015 57.4350 40.7134 178.4094 37 Q 4.0397 7.7990 118.5744 59.2245 28.7070 180.0932 38 G 3.4170 8.0574 105.9382 47.6714 0.0000 175.5926 39 A 3.8052 7.5854 123.9901 54.8266 18.3465 179.4015 40 D 4.3895 8.3362 117.5474 57.3611 40.9598 178.9364 41 A 4.0019 7.9644 121.1899 55.2804 18.4022 179.7884 42 I 3.6658 8.0445 118.6092 64.4373 36.9716 178.3724 43 F 4.0873 8.5017 120.5581 61.5724 39.5791 176.8082 44 E 4.0844 8.5523 118.1376 59.3706 28.9734 178.8969 45 H 4.1388 7.9452 117.5054 59.1346 30.1420 176.9392 46 L 4.1732 7.8154 117.8932 55.9386 41.8987 176.6954 47 N 4.9644 7.8117 117.4219 51.9716 39.7388 174.3695 48 E 3.9210 8.3610 117.0986 58.1209 30.0344 177.8350 49 G 3.9847 8.6660 110.0536 46.1866 0.0000 173.9651 50 K 4.3890 7.9037 118.8962 56.8487 33.7889 177.1649 51 L 4.4432 7.4639 118.0532 53.4131 42.9439 177.3026 52 W 4.3350 9.0061 130.7830 60.6954 30.3229 177.9253 53 K 3.7618 8.2971 118.0240 60.2147 31.4820 177.7925 54 H 4.4194 7.9635 115.1170 58.6318 29.1020 177.2737 55 I 3.8438 7.5317 113.1310 61.8559 38.1166 177.4653 56 K 2.4800 7.6305 122.8976 59.5748 31.4358 177.5742 57 H 4.0727 7.8454 114.5562 58.8312 27.8750 177.3887 58 K 3.7081 7.4777 120.0425 58.3331 31.7740 177.0526 59 Y 4.5827 7.3485 113.0578 57.4344 39.4573 176.1387 60 E 4.1842 7.6577 121.1985 55.6589 27.9693 175.2456 61 A 3.8696 8.4964 128.4104 52.8204 16.1332 178.1111 62 S 4.7395 7.9204 112.7147 58.9859 64.4645 173.8432 63 E 4.5405 8.2342 118.6547 55.8499 32.4802 174.1046 64 E 4.1067 8.8658 124.6432 56.8326 30.6832 173.9532 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 A 8.12 4.37 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 5 L 8.55 3.84 0.00 1.81 1.75 0.94 0.35 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 6 L 8.76 4.16 0.00 1.73 1.80 0.95 1.05 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 7 R 7.95 4.02 0.00 2.02 2.02 0.00 3.13 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 8 Q 8.19 3.96 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 9 A 8.85 3.66 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 10 Y 8.28 4.03 0.00 3.26 3.25 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 11 S 8.40 3.92 0.00 3.84 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 12 A 8.19 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.53 4.26 0.00 0.45 1.36 0.59 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.14 5.05 0.00 3.13 3.24 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 0.00 15 R 7.44 3.67 0.00 1.30 1.70 0.00 3.02 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.41 0.00 16 R 7.62 4.22 0.00 1.88 1.84 0.00 3.16 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 17 T 8.67 3.96 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 1.19 0.00 0.00 18 S 8.04 4.16 0.00 4.06 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.90 3.98 4.22 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 0.00 0.00 0.00 1.20 0.00 0.00 20 F 8.42 4.13 0.00 3.22 3.26 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 0.00 21 A 8.24 4.16 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.00 3.91 0.00 1.91 1.79 0.92 0.87 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 23 T 8.18 3.82 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 1.19 0.00 0.00 24 V 7.47 3.45 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 0.93 0.00 0.00 0.79 0.00 0.00 25 V 7.91 3.53 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 1.03 0.00 0.00 1.00 0.00 0.00 26 L 8.32 4.04 0.00 1.82 1.70 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.38 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 28 A 8.41 4.01 1.39 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 0.00 0.00 29 V 7.99 3.60 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 1.05 0.00 0.00 0.98 0.00 0.00 30 L 7.95 4.14 0.00 1.83 1.74 0.94 0.76 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 31 F 8.50 4.16 0.00 3.21 3.24 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 0.00 32 E 8.99 3.92 0.00 2.22 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 2.62 2.42 0.00 33 R 7.77 3.83 0.00 2.07 2.10 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 34 A 7.81 3.94 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 35 F 8.30 3.81 0.00 1.90 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 4.13 0.00 2.65 2.78 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 0.00 0.00 0.00 0.00 37 Q 7.80 4.04 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 38 G 8.06 3.42 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 0.00 0.00 0.00 0.00 39 A 7.59 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.34 4.39 0.00 2.64 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 41 A 7.96 4.00 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 42 I 8.04 3.67 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.74 0.95 0.00 0.00 43 F 8.50 4.09 0.00 3.01 3.26 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 0.00 44 E 8.55 4.08 0.00 2.12 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 2.47 2.75 0.00 45 H 7.95 4.14 0.00 3.18 3.45 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.82 4.17 0.00 1.62 1.58 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 47 N 7.81 4.96 0.00 2.48 2.54 0.00 0.00 6.90 7.64 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 48 E 8.36 3.92 0.00 1.86 1.83 0.00 0.00 0.00 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 2.17 0.00 49 G 8.67 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 0.00 0.00 0.00 50 K 7.90 4.39 0.00 1.82 1.86 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.61 7.81 51 L 7.46 4.44 0.00 1.45 1.58 0.95 0.91 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 52 W 9.01 4.34 0.00 3.38 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.30 3.76 0.00 1.83 1.82 0.00 1.88 0.00 0.00 1.93 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.60 7.81 54 H 7.96 4.42 0.00 3.31 3.29 0.00 5.72 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.53 3.84 1.90 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.56 0.94 0.00 0.00 56 K 7.63 2.48 0.00 0.79 1.49 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.20 1.13 7.81 57 H 7.85 4.07 0.00 3.35 3.49 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.48 3.71 0.00 0.79 1.09 0.00 1.47 0.00 0.00 1.51 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.25 7.81 59 Y 7.35 4.58 0.00 3.07 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 60 E 7.66 4.18 0.00 2.09 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 2.30 2.32 0.00 61 A 8.50 3.87 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 62 S 7.92 4.74 0.00 3.84 3.74 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 63 E 8.23 4.54 0.00 1.90 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 64 E 8.87 4.11 0.00 2.14 1.89 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 2.21 2.30 0.00