NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2817 8.3293 121.7120 55.7192 30.1482 174.4713 4 L 4.4086 8.4109 126.0568 54.6269 41.9701 174.8529 5 T 4.3298 9.2586 117.0020 60.7480 68.7003 176.0742 6 E 3.9310 8.7983 125.8457 59.5742 29.2435 179.0905 7 E 4.0555 8.0135 118.6453 59.1717 29.8726 178.1894 8 Q 3.8137 7.7651 117.7555 59.2384 28.6800 179.2938 9 I 3.9323 7.6974 119.7404 64.2199 37.1110 178.2524 10 A 4.0235 7.4410 122.2587 55.0091 18.2027 179.5402 11 E 3.9372 8.0540 117.1029 59.7338 29.6148 179.5811 12 F 4.9707 8.5101 118.2407 60.8098 38.9398 177.6849 13 K 4.0785 8.8080 119.5138 59.4233 32.0380 178.5453 14 E 3.9787 8.4167 119.6329 58.9254 29.4204 178.5689 15 A 4.1741 8.6878 121.4079 55.3449 18.5821 179.4269 16 F 3.2788 8.8266 119.5066 61.1961 39.1615 177.2693 17 S 4.1865 8.2441 112.1818 60.9022 62.1551 175.8171 18 L 4.0577 7.5569 122.3055 58.3215 42.0538 178.7479 19 F 4.0433 7.9167 116.2656 59.4021 40.2315 176.4263 20 D 4.4416 7.7314 119.3050 52.3338 38.0730 176.0235 21 K 3.6848 8.0948 122.0236 59.6744 32.6877 177.6736 22 D 4.4603 8.5054 116.5635 53.3345 39.7537 176.5615 23 G 3.9251 7.8409 108.1772 47.0201 0.0000 173.9778 24 D 4.5832 8.5155 117.1056 52.9877 39.7686 177.2551 25 G 4.1780 9.8945 109.2371 45.7811 0.0000 173.1719 26 T 5.2508 8.0868 108.4639 60.0099 72.4128 173.5354 27 I 4.5661 9.0403 125.2994 60.0608 39.0751 175.5915 28 T 4.5534 8.7138 118.1429 60.7733 70.8053 176.2254 29 T 3.8486 8.5947 118.5166 66.6080 68.2880 176.5909 30 K 3.8918 7.9965 120.8698 59.6714 32.3267 178.4440 31 E 3.8895 7.8777 118.8216 59.2274 29.4001 178.9661 32 L 4.2402 8.2278 120.6267 58.3169 42.1585 179.3885 33 G 3.6077 8.2232 105.4102 48.6178 0.0000 175.1248 34 T 3.7984 8.1616 118.6187 66.0400 68.3388 176.3232 35 V 3.3808 7.9448 120.7968 65.6661 31.6882 177.9729 36 M 3.9335 7.8478 117.4383 59.0646 31.8829 178.5011 37 R 4.8405 8.2001 119.4518 58.6304 30.0038 179.0090 38 S 4.1536 8.2862 113.7816 60.4538 62.5209 175.4027 39 L 4.6206 7.3025 121.1421 54.2973 41.8169 177.5003 40 G 3.9802 8.3566 108.8341 45.3300 0.0000 174.1496 41 Q 4.5906 7.7206 118.8497 54.8760 30.4109 174.7825 42 N 5.1328 8.1858 117.4574 50.7417 39.1161 172.4021 43 P 4.5794 0.0000 0.0000 62.3600 32.8099 177.9818 44 T 4.2959 8.6222 111.6236 60.8020 71.1930 175.5424 45 E 3.8830 8.5843 120.2945 59.5289 29.6481 178.4350 46 A 4.0050 7.9371 120.2596 55.1307 18.6087 179.3404 47 E 3.9600 8.2537 117.3027 59.3454 29.6607 179.2415 48 L 3.9959 8.3697 120.9568 58.1303 42.1468 178.7967 49 Q 3.9921 8.3136 119.6894 59.3517 29.0132 178.0262 50 D 4.4066 8.2484 119.9477 57.4110 40.9090 178.7028 51 M 4.0749 7.9799 119.0348 58.3083 31.9139 178.7545 52 I 3.6988 7.6450 119.5672 64.5496 37.1311 178.0180 53 N 4.2902 7.8451 115.7693 56.5959 38.5009 176.7521 54 E 4.0234 8.1145 119.1818 58.8084 29.8032 178.2329 55 V 4.0901 7.4792 116.0261 63.3307 33.5720 176.9025 56 D 4.6699 8.2692 119.4172 53.2138 37.6942 175.8081 57 A 3.9424 7.9654 126.4944 54.8834 18.8724 178.8875 58 D 4.5176 8.6066 111.9741 53.1223 39.7600 176.4737 59 G 4.0283 7.7974 107.6973 46.8065 0.0000 174.0450 60 N 4.5436 8.9081 115.1418 52.7510 37.5297 175.9572 61 G 4.0274 9.7806 109.1634 45.2304 0.0000 173.2661 62 T 4.8221 7.7365 107.9645 60.0218 72.5889 173.2171 63 I 4.8437 8.5146 123.2239 59.9259 39.2903 175.2266 64 D 5.5767 8.8112 125.9084 50.8171 42.2511 177.2551 65 F 3.4266 8.4510 120.0029 60.7953 39.0049 175.0415 66 P 4.0574 0.0000 0.0000 65.6974 31.1773 178.3875 67 E 3.9123 9.2165 117.6309 59.1917 29.2524 179.1497 68 F 3.9681 8.4876 121.0475 61.2758 39.4826 176.8261 69 L 3.5001 8.1940 120.7895 58.2318 41.7239 178.9528 70 T 3.7020 7.9287 115.9356 66.8926 68.3744 176.2440 71 M 3.8575 7.7120 119.8419 58.8903 32.0429 178.0988 72 M 3.5734 7.4114 117.6704 57.9065 31.8690 178.4798 73 A 4.1385 7.5692 120.4193 55.0303 18.9580 179.4051 74 R 3.8950 7.8898 117.2031 59.1438 31.0281 178.2106 75 K 4.4067 7.9981 119.4309 55.4663 30.7093 177.2814 76 M 4.6794 7.3770 112.6208 56.5880 35.2451 173.9902 77 K 4.1782 8.1876 122.8274 57.0550 33.4453 175.8768 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 Q 8.33 4.28 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 4 L 8.41 4.41 0.00 1.85 1.70 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.26 4.33 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 1.22 0.00 0.00 6 E 8.80 3.93 0.00 2.11 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 2.39 2.46 0.00 7 E 8.01 4.06 0.00 2.05 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 2.51 2.36 0.00 8 Q 7.77 3.81 0.00 2.13 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 9 I 7.70 3.93 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.64 1.16 0.00 0.00 10 A 7.44 4.02 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 11 E 8.05 3.94 0.00 2.00 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 2.31 2.49 0.00 12 F 8.51 4.97 0.00 3.43 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 13 K 8.81 4.08 0.00 1.77 1.95 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.16 1.31 7.81 14 E 8.42 3.98 0.00 2.15 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 0.00 2.38 2.37 0.00 15 A 8.69 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.83 3.28 0.00 2.46 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 17 S 8.24 4.19 0.00 4.05 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 18 L 7.56 4.06 0.00 1.77 2.08 0.86 0.57 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 19 F 7.92 4.04 0.00 2.61 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 20 D 7.73 4.44 0.00 2.12 2.39 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 21 K 8.09 3.68 0.00 1.95 1.81 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.35 7.81 22 D 8.51 4.46 0.00 2.80 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 23 G 7.84 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 24 D 8.52 4.58 0.00 2.83 2.79 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 25 G 9.89 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 0.00 0.00 0.00 0.00 26 T 8.09 5.25 4.31 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 1.29 0.00 0.00 27 I 9.04 4.57 1.83 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.29 0.91 0.00 0.00 28 T 8.71 4.55 4.25 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 1.22 0.00 0.00 29 T 8.59 3.85 4.25 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 1.23 0.00 0.00 30 K 8.00 3.89 0.00 1.82 1.80 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.53 7.81 31 E 7.88 3.89 0.00 2.12 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 2.29 2.30 0.00 32 L 8.23 4.24 0.00 1.92 1.92 1.20 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.22 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.16 3.80 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 35 V 7.94 3.38 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 0.16 0.00 0.00 0.78 0.00 0.00 36 M 7.85 3.93 0.00 2.30 2.44 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.72 0.00 37 R 8.20 4.84 0.00 2.03 1.93 0.00 3.18 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.70 0.00 38 S 8.29 4.15 0.00 3.98 4.05 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 0.00 0.00 0.00 39 L 7.30 4.62 0.00 1.74 1.71 0.79 1.24 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 40 G 8.36 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 41 Q 7.72 4.59 0.00 2.39 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 42 N 8.19 5.13 0.00 2.65 2.70 0.00 0.00 7.00 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 43 P 0.00 4.58 0.00 2.20 2.08 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 44 T 8.62 4.30 4.25 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 1.22 0.00 0.00 45 E 8.58 3.88 0.00 2.06 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 2.38 2.38 0.00 46 A 7.94 4.01 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 47 E 8.25 3.96 0.00 2.28 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 2.33 2.32 0.00 48 L 8.37 4.00 0.00 1.99 1.68 0.97 0.45 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 49 Q 8.31 3.99 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 50 D 8.25 4.41 0.00 2.89 2.70 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 51 M 7.98 4.07 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.58 0.00 52 I 7.64 3.70 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.96 0.93 0.00 0.00 53 N 7.85 4.29 0.00 2.84 2.90 0.00 0.00 7.09 7.82 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 54 E 8.11 4.02 0.00 2.05 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 2.28 2.29 0.00 55 V 7.48 4.09 2.10 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 0.92 0.00 0.00 0.93 0.00 0.00 56 D 8.27 4.67 0.00 2.94 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.97 3.94 1.28 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 0.00 0.00 0.00 58 D 8.61 4.52 0.00 2.78 2.80 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 59 G 7.80 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 0.00 0.00 0.00 60 N 8.91 4.54 0.00 2.84 3.02 0.00 0.00 7.05 6.82 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 61 G 9.78 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 0.00 0.00 0.00 62 T 7.74 4.82 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 1.24 0.00 0.00 63 I 8.51 4.84 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.88 1.18 0.00 0.00 64 D 8.81 5.58 0.00 2.85 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.45 3.43 0.00 2.02 2.80 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 66 P 0.00 4.06 0.00 2.25 2.03 0.00 3.80 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 2.12 2.20 0.00 67 E 9.22 3.91 0.00 2.27 2.19 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 2.33 2.36 0.00 68 F 8.49 3.97 0.00 3.44 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 69 L 8.19 3.50 0.00 0.83 1.34 1.08 -0.41 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 70 T 7.93 3.70 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 1.13 0.00 0.00 71 M 7.71 3.86 0.00 1.77 1.90 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 72 M 7.41 3.57 0.00 0.51 1.20 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.25 0.00 73 A 7.57 4.14 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 74 R 7.89 3.90 0.00 1.83 1.84 0.00 3.05 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 75 K 8.00 4.41 0.00 1.62 1.69 0.00 1.81 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.32 7.81 76 M 7.38 4.68 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 77 K 8.19 4.18 0.00 1.72 1.60 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.37 7.81