NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 62 A 4.2857 8.2644 123.5821 52.6329 19.4312 174.0219 63 E 4.5671 7.4742 121.6125 55.3221 37.4300 175.0054 64 P 4.2544 0.0000 0.0000 65.3991 32.5851 178.2453 65 A 3.9845 7.9731 119.2880 54.7599 18.2598 179.6534 66 L 3.9116 7.6416 117.2679 58.2108 42.0286 179.7080 67 R 4.1541 8.3052 118.1268 58.9894 29.3723 178.7713 68 E 3.9750 8.5057 119.7946 58.9922 29.6335 178.3554 69 Q 4.0953 7.8510 119.2687 58.4966 29.0635 177.6858 70 Q 3.9668 8.4723 121.3948 59.0111 29.1081 178.0722 71 L 3.9731 7.8907 120.0039 57.7324 41.6616 179.2420 72 Q 3.9808 7.6908 116.9507 59.2838 28.7017 179.2784 73 Q 3.9874 7.8763 118.1671 59.0037 28.7660 178.5116 74 E 3.9441 8.4054 119.8819 59.4862 29.5734 179.3195 75 L 3.9253 8.3474 120.4847 58.1715 41.9794 178.8489 76 L 4.0228 8.1627 119.7728 57.6605 42.0192 178.4764 77 A 4.2055 8.1095 120.7957 54.2991 18.5013 179.3059 78 L 3.9090 7.8092 119.4488 58.0174 42.1619 179.0107 79 K 3.9130 7.8977 119.2088 59.5491 31.8839 178.5491 80 Q 3.9533 7.7076 118.4825 58.9298 28.9714 178.1392 81 K 3.9792 7.9715 120.4485 59.7672 32.3143 178.8088 82 Q 4.0094 8.1692 118.2987 59.0548 28.3817 178.6609 83 Q 4.0107 8.1941 120.5328 59.0680 28.9278 178.4655 84 I 3.8099 7.4713 119.7111 64.3411 37.2511 178.2556 85 Q 3.9940 8.1744 118.8375 59.0247 28.3637 179.2627 86 R 4.0075 8.0710 119.2686 59.3054 29.9909 179.0759 87 Q 4.0139 7.7804 117.8047 58.7750 28.5604 178.9179 88 I 3.7132 7.9512 121.2267 64.2833 37.3296 178.0135 89 L 4.6839 8.2314 122.9320 57.8973 41.7629 179.1921 90 I 3.8806 8.2305 119.7364 64.0498 37.0241 178.3388 91 A 4.0039 8.2821 122.0745 55.0865 18.2320 179.2477 92 E 3.9137 8.9292 117.7780 59.8611 29.6108 179.6305 93 F 4.2245 8.2108 119.9179 61.1428 39.4267 176.8154 94 Q 3.8522 8.4711 119.5746 59.1613 28.7912 178.4300 95 R 3.7885 7.8898 119.3887 59.6722 30.1785 178.3853 96 Q 3.9274 7.9150 117.7333 59.1898 28.7052 178.6044 97 H 3.8429 8.2796 119.3462 59.2147 29.9049 177.0421 98 E 3.7430 8.3846 121.5169 58.8836 29.4770 178.4728 99 Q 3.8532 8.0214 119.7990 59.2327 29.1430 178.1757 100 L 3.9107 7.9275 121.2708 58.1377 41.9389 179.0661 101 S 3.9890 7.9267 115.2320 61.3914 62.5732 176.8261 102 R 3.9707 8.0270 120.8968 59.1216 29.8610 178.6259 103 Q 3.9739 8.0183 117.6387 59.1295 28.7379 178.2936 104 H 4.0271 8.4935 117.0883 59.2328 28.8632 177.0939 105 E 3.7926 7.9791 120.5384 59.3544 29.4203 178.7223 106 A 4.0907 8.1400 120.8195 55.3058 18.3193 179.6901 107 Q 4.1791 8.0240 117.9438 58.6186 28.5664 178.9133 108 L 4.0379 7.6152 119.1332 57.9121 41.8437 179.0468 109 H 4.4557 8.6143 116.7498 58.9033 28.4748 177.2374 110 E 3.9770 8.7868 121.4523 59.7020 29.1454 178.5659 111 H 4.1879 8.0309 117.9997 59.1551 30.0185 177.2969 112 I 3.8077 8.1351 122.1651 64.0178 36.6621 177.3859 113 K 4.5940 7.2896 118.1841 56.6584 32.8690 177.0405 114 Q 4.5710 8.0048 115.2293 55.1954 34.4505 176.1982 115 Q 4.2205 8.5525 117.7326 57.7766 28.9975 176.8363 116 Q 4.1742 8.0197 120.4873 59.0368 29.3150 176.7371 117 E 3.9178 8.1096 118.9549 60.1566 29.1998 178.8265 118 M 4.0173 7.9651 117.6488 58.6775 32.1723 177.9845 119 L 4.1301 7.6582 117.6424 56.6530 41.4952 179.0951 120 A 4.1473 8.1042 122.2209 55.0946 18.4100 178.9905 121 M 4.2544 8.4443 115.9771 57.1949 32.4547 177.2262 122 K 4.2448 7.5551 117.6763 58.9828 32.8924 176.7744 123 H 4.9530 7.9076 112.0975 57.2841 33.1136 175.0710 124 Q 4.0416 9.3841 116.8495 58.3197 28.1919 177.0605 125 Q 4.5028 7.8190 116.9233 55.2952 31.0752 176.1103 126 E 3.7440 8.4886 119.0982 59.7545 29.6607 178.5516 127 L 4.2249 7.9205 116.7485 56.6511 41.7388 177.3158 128 L 4.8557 8.8214 118.6955 53.9071 42.7376 176.3632 129 E 4.2386 8.5648 124.9553 56.8102 30.6384 175.1481 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 62 A 8.26 4.29 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.47 4.57 0.00 2.03 1.75 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 2.23 2.39 0.00 64 P 0.00 4.25 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 65 A 7.97 3.98 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 66 L 7.64 3.91 0.00 1.81 1.72 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.31 4.15 0.00 1.87 1.98 0.00 3.17 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 68 E 8.51 3.98 0.00 2.19 2.14 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 2.30 2.31 0.00 69 Q 7.85 4.10 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 70 Q 8.47 3.97 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 71 L 7.89 3.97 0.00 1.76 1.70 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.69 3.98 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.69 0.00 73 Q 7.88 3.99 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 74 E 8.41 3.94 0.00 2.29 2.01 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 2.33 2.33 0.00 75 L 8.35 3.93 0.00 1.83 1.91 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.16 4.02 0.00 1.94 1.73 0.92 1.01 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 77 A 8.11 4.21 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 78 L 7.81 3.91 0.00 1.94 1.78 0.92 0.53 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 79 K 7.90 3.91 0.00 1.87 1.78 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 80 Q 7.71 3.95 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 81 K 7.97 3.98 0.00 1.99 1.97 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 82 Q 8.17 4.01 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 83 Q 8.19 4.01 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 84 I 7.47 3.81 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.67 0.91 0.00 0.00 85 Q 8.17 3.99 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.66 0.00 86 R 8.07 4.01 0.00 2.06 1.97 0.00 3.12 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 87 Q 7.78 4.01 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.72 0.00 88 I 7.95 3.71 2.03 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 1.42 0.98 0.99 0.00 0.00 89 L 8.23 4.68 0.00 1.71 1.84 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.23 3.88 1.90 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 1.74 0.76 0.98 0.00 0.00 91 A 8.28 4.00 1.42 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 92 E 8.93 3.91 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 93 F 8.21 4.22 0.00 3.14 3.22 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 0.00 94 Q 8.47 3.85 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 95 R 7.89 3.79 0.00 1.93 2.11 0.00 3.15 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 96 Q 7.91 3.93 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 97 H 8.28 3.84 0.00 2.19 3.08 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.38 3.74 0.00 2.10 1.84 0.00 0.00 0.00 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 2.30 0.00 99 Q 8.02 3.85 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 100 L 7.93 3.91 0.00 1.70 1.49 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 101 S 7.93 3.99 0.00 3.92 3.78 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 0.00 102 R 8.03 3.97 0.00 1.96 1.94 0.00 3.09 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 103 Q 8.02 3.97 0.00 2.30 2.15 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 2.38 2.50 0.00 104 H 8.49 4.03 0.00 3.16 3.38 0.00 5.82 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.98 3.79 0.00 2.04 2.07 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 2.11 2.20 0.00 106 A 8.14 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 8.02 4.18 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 108 L 7.62 4.04 0.00 1.69 1.66 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 109 H 8.61 4.46 0.00 3.28 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.79 3.98 0.00 2.08 2.14 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 2.32 2.34 0.00 111 H 8.03 4.19 0.00 3.39 3.46 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.14 3.81 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.01 0.93 0.00 0.00 113 K 7.29 4.59 0.00 1.68 1.79 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 114 Q 8.00 4.57 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 115 Q 8.55 4.22 0.00 2.39 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 116 Q 8.02 4.17 0.00 2.38 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 117 E 8.11 3.92 0.00 2.04 2.01 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 2.40 2.39 0.00 118 M 7.97 4.02 0.00 2.06 2.06 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 2.58 2.71 0.00 119 L 7.66 4.13 0.00 1.80 1.70 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.10 4.15 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 0.00 121 M 8.44 4.25 0.00 1.94 2.15 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 122 K 7.56 4.24 0.00 1.92 1.93 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.38 7.81 123 H 7.91 4.95 0.00 3.16 3.21 0.00 5.71 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 9.38 4.04 0.00 2.17 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 125 Q 7.82 4.50 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 126 E 8.49 3.74 0.00 2.30 2.07 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 2.41 2.36 0.00 127 L 7.92 4.22 0.00 1.64 1.70 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.82 4.86 0.00 1.58 1.61 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.56 4.24 0.00 1.86 1.77 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 2.24 2.45 0.00