NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.5654 8.1133 121.1216 56.2269 32.0682 173.7408 2 I 4.7973 8.8495 126.5711 59.2952 40.1647 172.6612 3 C 5.1477 9.7999 124.8755 54.7159 44.7917 173.5612 4 F 5.0438 8.7294 120.6849 57.8382 39.2277 175.1237 5 N 5.4220 9.4432 116.3009 51.7706 39.0552 174.3681 6 H 4.5080 8.4527 114.7172 55.6737 29.7758 174.6715 7 Q 4.4956 8.3900 119.5279 56.1351 31.4013 178.1955 8 S 3.3353 8.0342 117.5135 60.0848 63.4819 173.3810 9 S 4.6501 8.7337 122.0284 59.1489 62.7768 173.7984 10 Q 4.2340 7.8900 120.1147 54.5953 29.0719 174.3987 11 P 4.2027 0.0000 0.0000 62.7976 31.7554 176.8177 12 Q 3.4351 8.3668 121.7888 56.3443 29.2657 175.8219 13 T 5.0165 8.2446 111.2138 60.3624 72.8297 172.3301 14 T 5.3275 8.4716 111.3496 59.9578 72.5922 172.6740 15 K 4.6384 9.2032 122.3634 54.9547 35.9461 174.9530 16 T 4.5644 8.4790 123.5316 62.8520 69.1269 175.5769 17 C 4.6795 9.0206 125.0108 56.1724 42.2537 173.9959 18 S 4.3807 8.5558 116.1081 57.7660 63.0939 172.4830 19 P 4.4528 0.0000 0.0000 64.1830 31.3491 177.5099 20 G 3.9093 8.8288 110.0508 45.5356 0.0000 172.8949 21 E 4.2840 8.0681 121.4869 55.5424 30.0335 176.0610 22 S 4.6515 8.6587 117.9711 57.7614 64.4699 172.9080 23 S 5.1039 8.4619 116.3872 57.1829 65.0777 171.9391 24 C 5.6970 9.1541 120.8084 55.3355 38.4874 172.5804 25 Y 5.5192 9.0070 118.4692 55.7156 42.0980 173.5728 26 H 5.1687 9.4988 119.3698 54.4054 33.2150 171.7387 27 K 5.3292 9.7233 127.6510 54.7593 35.1705 174.4563 28 Q 5.1139 9.3753 127.8795 54.5042 32.9238 173.9613 29 W 5.3819 8.4124 121.3333 56.0260 31.7794 173.0429 30 S 4.9592 8.8707 114.0356 57.2687 66.3229 173.2605 31 D 4.5910 8.4458 121.6241 52.5855 44.9273 175.7923 32 F 4.6928 8.0326 117.9343 57.2571 38.1315 176.8020 33 R 4.5618 7.7089 116.3577 54.8413 34.1146 175.4250 34 G 3.8293 7.4282 103.8160 44.2761 0.0000 172.9032 35 T 4.3404 8.3391 120.3031 63.3175 69.4436 174.3684 36 I 4.1530 8.2847 127.4112 59.2497 40.0322 174.7013 37 I 4.7169 7.9462 126.3241 59.2710 40.8838 173.9460 38 E 4.9777 9.4494 127.3190 54.4793 32.5125 174.8125 39 R 4.8343 7.7882 123.3746 53.1639 35.0476 175.4214 40 G 3.9325 6.6243 106.9898 46.1422 0.0000 172.8136 41 C 4.8028 8.7632 116.6084 57.6809 41.1712 174.6350 42 G 3.7653 10.3921 109.8148 45.1809 0.0000 173.0176 43 C 4.7183 7.9590 116.5628 54.7809 44.1987 172.4419 44 P 4.4435 0.0000 0.0000 62.0076 32.0057 176.6673 45 T 4.3028 7.9883 115.8522 62.8661 69.4431 174.9074 46 V 4.4699 7.8088 117.3608 59.0168 35.4541 175.8421 47 K 4.1821 8.1202 120.8370 55.3552 32.6773 175.1611 48 P 4.4130 0.0000 0.0000 64.4477 31.6727 176.5510 49 G 4.0784 8.9964 110.3996 45.2548 0.0000 173.6959 50 I 4.2100 7.1527 120.3639 60.7756 38.1028 176.0028 51 K 4.3973 8.9461 126.7765 55.8977 33.3157 175.7339 52 L 5.4338 8.5995 126.4447 53.2775 45.0193 175.4580 53 S 4.9774 9.2549 119.7706 56.8421 66.6261 172.2261 54 C 5.6835 8.7852 117.9846 55.5894 44.2031 172.1926 55 C 5.1701 9.4584 116.6088 53.2399 45.4212 173.6766 56 E 4.9224 8.7146 116.9115 54.3556 29.7906 175.2511 57 S 4.6325 7.5999 110.9878 56.5481 66.4596 173.5213 58 E 3.8118 8.6827 120.5282 58.2977 29.8718 178.1826 59 V 2.8253 7.9591 117.8753 62.3427 29.4316 171.9188 60 C 4.6118 7.8803 112.8106 56.1266 42.9904 173.7385 61 N 4.8471 7.8289 118.7099 52.6335 37.4538 174.4049 62 N 4.3976 8.2924 121.6319 54.9927 39.0668 174.0395 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 R 8.11 4.57 0.00 1.95 1.96 0.00 3.10 0.00 0.00 3.54 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 2 I 8.85 4.80 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.41 0.83 0.00 0.00 3 C 9.80 5.15 0.00 2.77 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.73 5.04 0.00 3.08 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 5 N 9.44 5.42 0.00 2.65 2.83 0.00 0.00 6.96 8.39 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 6 H 8.45 4.51 0.00 3.24 3.38 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 7 Q 8.39 4.50 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 5.79 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 8 S 8.03 3.34 0.00 3.79 2.91 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 9 S 8.73 4.65 0.00 3.78 3.79 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 10 Q 7.89 4.23 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.17 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 11 P 0.00 4.20 0.00 2.00 1.96 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 12 Q 8.37 3.44 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 1.65 2.04 0.00 13 T 8.24 5.02 4.28 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 1.28 0.00 0.00 14 T 8.47 5.33 4.29 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 1.10 0.00 0.00 15 K 9.20 4.64 0.00 1.80 1.62 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.44 7.81 16 T 8.48 4.56 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 1.20 0.00 0.00 17 C 9.02 4.68 0.00 2.83 3.04 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 0.00 0.00 0.00 0.00 18 S 8.56 4.38 0.00 3.89 3.79 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 19 P 0.00 4.45 0.00 2.04 2.00 0.00 3.75 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 2.09 0.00 20 G 8.83 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 0.00 0.00 0.00 21 E 8.07 4.28 0.00 1.95 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 2.34 2.31 0.00 22 S 8.66 4.65 0.00 3.99 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 23 S 8.46 5.10 0.00 3.95 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 24 C 9.15 5.70 0.00 2.88 2.98 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 25 Y 9.01 5.52 0.00 3.08 3.23 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 0.00 26 H 9.50 5.17 0.00 3.19 3.20 0.00 5.52 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.72 5.33 0.00 2.19 2.13 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.65 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.71 1.49 7.81 28 Q 9.38 5.11 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.22 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 29 W 8.41 5.38 0.00 3.37 3.23 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 0.00 30 S 8.87 4.96 0.00 3.58 3.65 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 0.00 0.00 0.00 0.00 31 D 8.45 4.59 0.00 2.53 2.35 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 32 F 8.03 4.69 0.00 3.23 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 33 R 7.71 4.56 0.00 1.63 1.83 0.00 3.16 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 34 G 7.43 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.34 4.34 4.13 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 1.09 0.00 0.00 36 I 8.28 4.15 0.56 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.86 0.06 0.00 0.00 37 I 7.95 4.72 1.65 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.65 0.54 0.00 0.00 38 E 9.45 4.98 0.00 2.24 2.13 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 2.44 2.41 0.00 39 R 7.79 4.83 0.00 1.71 1.77 0.00 3.33 0.00 0.00 3.33 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.22 0.00 40 G 6.62 3.93 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 0.00 0.00 0.00 41 C 8.76 4.80 0.00 3.05 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 42 G 10.39 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 43 C 7.96 4.72 0.00 2.93 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 44 P 0.00 4.44 0.00 1.95 1.65 0.00 3.41 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.74 0.00 45 T 7.99 4.30 4.18 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 1.17 0.00 0.00 46 V 7.81 4.47 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 0.69 0.00 0.00 0.99 0.00 0.00 47 K 8.12 4.18 0.00 1.74 1.67 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.33 7.81 48 P 0.00 4.41 0.00 2.03 1.99 0.00 3.61 0.00 0.00 3.63 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 49 G 9.00 4.08 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 0.00 0.00 0.00 50 I 7.15 4.21 1.96 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.69 1.05 0.00 0.00 51 K 8.95 4.40 0.00 1.94 1.80 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.44 7.81 52 L 8.60 5.43 0.00 1.65 1.53 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 53 S 9.25 4.98 0.00 3.93 3.93 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 54 C 8.79 5.68 0.00 2.86 3.03 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 55 C 9.46 5.17 0.00 2.94 3.14 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 56 E 8.71 4.92 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 57 S 7.60 4.63 0.00 3.91 3.79 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 58 E 8.68 3.81 0.00 1.93 1.85 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 2.28 2.24 0.00 59 V 7.96 2.83 1.72 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 0.18 0.00 0.00 0.76 0.00 0.00 60 C 7.88 4.61 0.00 3.10 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 61 N 7.83 4.85 0.00 2.98 2.98 0.00 0.00 6.04 8.04 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 62 N 8.29 4.40 0.00 2.64 2.74 0.00 0.00 7.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00