NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 S 4.5987 8.3349 115.5546 58.3039 64.7336 172.4837 -2 E 4.6125 8.6994 119.4621 54.0945 33.5692 173.5188 -1 N 5.0309 9.5186 121.8145 52.9181 40.0589 174.2430 0 L 4.8641 8.8006 122.8687 53.0767 46.3762 175.3149 1 Y 4.8348 8.4727 118.6957 55.9660 39.4961 175.5407 2 F 4.1823 9.3083 128.9177 58.0272 40.5634 175.8571 3 Q 4.4028 7.7466 127.1382 55.1887 30.2464 174.9184 4 G 3.8157 5.3800 109.5922 44.3805 0.0000 174.3370 5 S 4.3008 8.4612 115.2824 58.4440 63.4530 175.1445 6 A 4.3518 8.5387 125.7299 54.3328 18.4137 178.9030 7 S 4.3077 8.0568 108.9347 59.4476 63.8076 174.6923 8 A 4.2270 7.7053 125.0556 52.6069 18.6254 176.7938 9 T 4.4132 8.0358 111.1453 59.2853 72.2668 173.2718 10 C 4.4009 8.3201 124.1370 59.1079 32.0692 174.3515 11 E 3.7420 8.5401 128.8247 59.1506 29.3571 178.1168 12 R 4.1350 7.8407 118.1716 58.7472 30.1245 176.5984 13 C 4.3741 7.9198 110.2934 57.2364 30.5464 174.9711 14 K 3.8970 8.1799 118.7614 56.7487 30.4115 176.1687 15 G 3.6601 7.3988 108.0564 44.8418 0.0000 173.8151 16 G 3.6936 7.9234 109.2605 44.0943 0.0000 172.8388 17 F 4.9335 7.6628 116.6472 55.3911 41.6860 175.3057 18 A 4.8025 8.5840 125.5962 49.7900 20.6097 175.3385 19 P 4.6815 0.0000 0.0000 64.1927 31.7645 177.1636 20 A 3.9115 9.6243 125.0420 52.1050 17.6141 177.6327 21 E 4.1220 8.1231 118.6347 56.0628 30.8705 175.9166 22 K 4.1969 8.7263 128.7850 56.3062 32.8201 175.4657 23 I 4.6274 8.8183 120.9130 58.9724 41.7271 173.9982 24 V 4.6696 8.5474 121.4085 60.9786 34.3832 173.5359 25 N 5.1970 9.1086 126.8444 51.9894 40.9631 173.0961 26 S 4.6659 8.9501 121.9740 56.6566 65.0346 173.6564 27 N 4.2709 10.1011 125.7913 54.3152 36.0722 175.5562 28 G 3.9697 8.5819 105.5705 45.2439 0.0000 173.9514 29 E 4.4028 8.2125 120.5810 55.3465 31.3121 175.3446 30 L 5.0139 8.1903 123.5152 53.7003 44.1397 175.1089 31 Y 5.1561 8.8120 119.4639 56.2784 42.6313 175.0261 32 H 4.7189 9.0838 119.2649 55.7911 29.4021 176.4029 33 E 4.0636 9.0370 121.8887 59.7439 29.3903 179.1105 34 Q 4.0149 8.1076 113.7612 57.4763 29.1526 175.9960 35 C 4.5492 8.2984 116.0366 60.4553 29.8301 174.4000 36 F 4.2502 7.4245 123.4007 56.2384 37.1455 174.3642 37 V 3.6346 6.6130 115.2860 58.6166 36.3662 174.6906 38 C 4.2739 7.7340 121.8714 59.3278 31.7225 174.7556 39 A 4.1190 8.6023 130.3206 54.5525 18.3441 178.3219 40 Q 4.2536 8.2644 116.0775 57.8930 29.6473 176.0457 41 C 3.9940 7.7056 110.3190 57.2121 30.7170 174.4687 42 F 4.1294 7.8195 117.6085 58.4109 36.7687 174.6696 43 Q 4.5915 7.0242 120.0590 53.7650 30.6454 175.3971 44 Q 3.9488 8.2094 118.5323 55.9463 29.5151 176.7283 45 F 4.4641 8.0889 119.8682 56.4345 39.6754 173.5323 46 P 4.4954 0.0000 0.0000 64.1022 31.5556 176.5261 47 E 3.5763 9.8074 120.4214 56.9269 27.0272 175.3314 48 G 4.1031 8.4800 105.6362 45.7645 0.0000 173.7089 49 L 4.0784 7.7997 120.4494 53.2756 42.3384 175.9679 50 F 4.7403 6.9936 117.4696 54.8890 41.4121 173.6506 51 Y 4.4909 9.0584 116.5441 56.2086 41.4269 174.5589 52 E 5.1405 8.9386 123.4129 55.4350 31.4357 175.8136 53 F 4.6280 9.4835 125.6632 57.5397 42.1839 174.4552 54 E 3.5714 9.4401 129.7831 57.3826 26.7051 175.9029 55 G 3.9882 8.3154 104.7356 45.1702 0.0000 173.0520 56 R 4.7412 7.9547 118.3040 54.2323 33.8782 174.8192 57 K 5.0166 8.1299 119.9056 55.0159 34.9519 174.9399 58 Y 5.5006 9.1772 121.6043 56.0613 42.3102 175.3024 59 C 5.0101 9.2118 117.1568 57.9168 31.0257 174.1481 60 E 3.9864 9.3992 120.8497 59.9472 29.0173 178.2626 61 H 4.0956 8.4327 117.4236 59.7772 29.9720 176.7837 62 D 4.2548 8.2369 119.9358 57.0178 40.6489 178.4047 63 F 4.0893 8.6933 121.5751 61.4603 39.2229 177.2815 64 Q 3.8370 8.3050 116.9194 59.1185 28.5267 178.3402 65 M 3.9866 7.8327 119.0181 57.5926 32.0158 177.8099 66 L 3.9114 6.9495 116.9027 54.9172 43.0641 177.4217 67 F 4.3133 7.2125 113.7275 56.6532 41.2099 174.7206 68 A 3.8447 7.2375 127.0472 52.1903 18.1153 176.9838 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 S 8.33 4.60 0.00 3.66 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.70 4.61 0.00 1.81 1.80 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 2.19 2.49 0.00 -1 N 9.52 5.03 0.00 2.59 2.58 0.00 0.00 6.75 7.85 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 L 8.80 4.86 0.00 1.41 1.47 0.87 0.58 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 1 Y 8.47 4.83 0.00 2.85 2.97 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 0.00 0.00 0.00 2 F 9.31 4.18 0.00 2.90 3.12 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 3 Q 7.75 4.40 0.00 1.84 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 4 G 5.38 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 5 S 8.46 4.30 0.00 4.00 3.85 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 6 A 8.54 4.35 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 7 S 8.06 4.31 0.00 4.01 4.03 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 0.00 0.00 0.00 8 A 7.71 4.23 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.04 4.41 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 1.17 0.00 0.00 10 C 8.32 4.40 0.00 2.56 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 11 E 8.54 3.74 0.00 1.48 1.12 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 2.25 2.26 0.00 12 R 7.84 4.14 0.00 2.14 2.08 0.00 3.31 0.00 0.00 3.59 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 13 C 7.92 4.37 0.00 3.10 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.18 3.90 0.00 1.89 1.93 0.00 1.65 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.48 7.81 15 G 7.40 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.92 3.69 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 0.00 0.00 0.00 17 F 7.66 4.93 0.00 1.51 2.29 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.58 4.80 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 19 P 0.00 4.68 0.00 2.13 2.07 0.00 3.87 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 20 A 9.62 3.91 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 4.12 0.00 2.25 2.02 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 2.34 2.33 0.00 22 K 8.73 4.20 0.00 1.67 1.62 0.00 1.80 0.00 0.00 1.97 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.12 0.56 7.81 23 I 8.82 4.63 1.57 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.91 0.52 0.00 0.00 24 V 8.55 4.67 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 0.35 0.00 0.00 0.98 0.00 0.00 25 N 9.11 5.20 0.00 2.67 2.59 0.00 0.00 6.33 7.44 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 26 S 8.95 4.67 0.00 3.15 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 27 N 10.10 4.27 0.00 2.96 2.90 0.00 0.00 7.29 7.65 0.00 0.00 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 G 8.58 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.21 4.40 0.00 2.23 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 30 L 8.19 5.01 0.00 1.63 1.27 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.81 5.16 0.00 2.86 2.93 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 0.00 0.00 0.00 32 H 9.08 4.72 0.00 3.36 3.52 0.00 5.83 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 9.04 4.06 0.00 2.06 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 0.00 2.41 2.54 0.00 34 Q 8.11 4.01 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 35 C 8.30 4.55 0.00 3.42 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 36 F 7.42 4.25 0.00 2.60 2.93 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 0.00 0.00 0.00 37 V 6.61 3.63 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 0.65 0.00 0.00 0.91 0.00 0.00 38 C 7.73 4.27 0.00 2.90 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 4.12 1.03 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 0.00 0.00 0.00 0.00 0.00 40 Q 8.26 4.25 0.00 2.38 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 41 C 7.71 3.99 0.00 3.02 3.16 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 0.00 42 F 7.82 4.13 0.00 3.24 3.02 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 43 Q 7.02 4.59 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 44 Q 8.21 3.95 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 45 F 8.09 4.46 0.00 3.10 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 46 P 0.00 4.50 0.00 2.27 2.05 0.00 3.92 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 47 E 9.81 3.58 0.00 2.16 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 2.26 2.27 0.00 48 G 8.48 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 0.00 0.00 0.00 49 L 7.80 4.08 0.00 1.73 1.34 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 50 F 6.99 4.74 0.00 2.10 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 9.06 4.49 0.00 2.42 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 0.00 0.00 0.00 52 E 8.94 5.14 0.00 1.97 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 2.45 2.56 0.00 53 F 9.48 4.63 0.00 3.02 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 9.44 3.57 0.00 1.67 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.47 0.00 55 G 8.32 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.95 4.74 0.00 1.92 1.52 0.00 3.29 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 57 K 8.13 5.02 0.00 1.50 1.25 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.08 1.25 7.81 58 Y 9.18 5.50 0.00 3.44 3.18 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 59 C 9.21 5.01 0.00 3.37 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 9.40 3.99 0.00 2.36 2.15 0.00 0.00 0.00 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 2.19 0.00 61 H 8.43 4.10 0.00 3.33 3.37 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.24 4.25 0.00 2.96 2.81 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 63 F 8.69 4.09 0.00 3.48 3.20 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 0.00 0.00 0.00 0.00 64 Q 8.31 3.84 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 65 M 7.83 3.99 0.00 1.75 1.84 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 66 L 6.95 3.91 0.00 0.27 0.13 0.45 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.21 4.31 0.00 1.61 1.78 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 68 A 7.24 3.84 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00