NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 55 R 4.0206 8.2544 120.8612 56.2843 31.1853 171.5651 56 K 3.5298 8.4959 127.7123 55.8295 31.7678 172.9593 57 R 4.6936 8.3876 130.4077 55.5684 32.7585 176.2418 58 N 4.9137 8.3635 111.6140 52.6897 39.2588 172.7308 59 R 4.6317 8.0536 120.0005 53.8484 32.2804 175.0115 60 I 4.5225 8.1137 125.8164 58.3331 39.4657 173.7006 61 P 4.4085 0.0000 0.0000 63.0218 31.5306 176.5484 62 L 4.2599 8.6744 121.3329 56.1391 42.1203 177.1679 63 G 4.1984 7.7666 107.4600 43.7506 0.0000 173.7204 64 C 3.7446 7.9400 114.9309 57.6228 31.2943 174.4758 65 T 3.8586 8.0158 114.5176 65.4199 68.0308 176.3834 66 I 3.5664 7.5251 122.1653 64.2605 37.2220 177.7574 67 C 3.9302 8.0980 116.7764 63.2685 27.6539 176.3758 68 R 3.9262 7.3952 117.8586 58.9891 29.9848 178.5508 69 K 4.1560 7.7120 118.3369 59.4544 31.9366 179.0679 70 R 4.1805 8.1672 114.1808 55.9771 29.8077 176.6986 71 K 4.0070 7.3076 116.4228 57.3908 30.7845 175.2700 72 V 4.3117 7.4287 115.7004 60.1909 33.1406 175.0035 73 K 4.4259 8.4041 124.2342 55.4154 33.5143 176.1332 74 C 4.3598 8.5476 127.5639 58.8871 32.0345 173.6795 75 D 4.3300 8.7622 126.1922 54.0143 39.4674 176.9217 76 K 4.0988 7.7470 118.1333 56.9385 30.3005 175.4149 77 L 4.2151 8.5642 121.0907 55.3989 42.5213 176.4051 78 R 4.8162 8.0026 119.9315 53.5825 33.8785 174.1372 79 P 4.3303 0.0000 0.0000 64.9482 31.7357 176.0418 80 H 4.9245 7.9620 115.7484 53.4282 30.7006 173.1606 81 C 4.3377 7.9991 119.0999 58.5977 30.1002 175.2229 82 Q 4.0610 9.9094 118.6935 58.9823 27.9231 178.2505 83 Q 3.9939 8.4033 120.0716 59.7804 28.7594 178.5199 84 C 3.9855 7.9652 116.4755 62.3747 28.5862 175.9749 85 T 3.9204 7.4188 116.6879 66.4010 67.7665 176.9840 86 K 4.0621 8.3544 120.2360 59.2093 32.1511 178.5581 87 T 4.3668 7.2260 113.0484 62.8258 68.6486 175.4641 88 G 3.9487 7.6615 108.4280 46.2313 0.0000 174.5558 89 V 4.2947 7.9095 112.3828 60.3100 32.1630 177.9256 90 A 3.7333 7.8319 121.9849 56.7938 18.3719 180.5191 91 H 4.2037 7.6737 107.2754 56.2758 28.1888 176.2731 92 L 4.6132 7.5956 117.3834 54.3585 42.6776 175.7155 93 C 4.4839 8.2992 121.4064 58.6844 32.1696 172.3749 94 H 5.0694 8.1944 120.1068 54.7945 31.6569 171.7766 95 Y 5.0103 8.7828 116.4458 56.4974 40.9892 175.1436 96 M 4.3936 8.5204 120.5595 54.0386 33.2533 176.5263 97 E 3.8847 8.6478 122.7474 56.8293 28.7594 176.8272 98 Q 4.0217 7.9922 122.4332 54.9434 30.1190 177.0533 99 T 3.7588 8.0890 118.6744 66.6641 68.6232 177.1563 100 W 4.6445 7.5750 112.5070 57.0171 27.5074 176.0853 101 A 4.7729 8.1241 120.0027 51.0823 20.3205 178.4479 102 E 3.8593 7.7530 115.0478 59.7787 29.4028 178.6805 103 E 4.0414 8.2831 118.0830 59.4336 29.8233 178.3597 104 A 3.9836 8.0257 119.9936 55.1647 18.4764 179.0549 105 E 3.8050 9.0283 118.5078 59.3147 29.7522 178.6802 106 K 3.8298 8.6811 120.4405 59.9216 32.1404 178.4821 107 E 3.9580 8.4802 118.7473 59.1233 29.2643 179.2682 108 L 3.9260 7.7251 120.0589 58.1015 42.1744 178.6841 109 L 3.9329 7.9206 118.8903 57.7276 41.5861 179.0773 110 K 3.7834 8.2188 119.3558 59.9890 31.9316 178.2427 111 D 4.3594 8.3134 118.8494 57.6290 40.7732 178.7297 112 N 4.3534 8.2970 116.8833 56.2010 38.4895 177.1887 113 E 3.9191 8.8557 121.1622 59.2341 29.8077 178.6735 114 L 3.9520 8.1479 120.4119 57.6429 42.1805 179.0223 115 K 3.9137 7.8210 119.9821 59.5455 32.1795 179.1069 116 K 4.0373 8.0310 118.7782 59.4062 31.9105 179.4485 117 L 4.0140 8.1855 119.5163 57.7105 41.1500 179.7069 118 R 3.9991 7.9250 117.7480 59.0961 29.9781 178.9321 119 E 3.8384 8.1042 118.2587 59.3161 29.4286 179.1381 120 R 4.0831 8.4156 118.8957 58.5822 30.1649 178.6479 121 V 3.6443 7.8908 118.9854 64.1123 31.3781 178.3289 122 K 4.0610 7.5735 119.1053 58.9157 32.3375 178.8591 123 S 4.0997 8.0033 113.4268 61.2450 61.9918 176.3938 124 L 3.9417 7.9632 120.9394 57.7848 41.8735 178.5075 125 E 4.1184 7.8553 118.1019 59.6272 29.4205 179.8170 126 K 3.9640 8.1227 117.8671 59.8690 32.0625 179.3156 127 T 4.0901 7.6211 112.5849 64.8931 68.3643 175.0998 128 L 4.5469 7.5868 121.8065 54.7778 42.5080 175.9515 129 S 4.2265 8.5504 118.2291 59.2363 63.1810 173.6367 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 55 R 8.25 4.02 0.00 1.79 1.91 0.00 3.36 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 1.52 1.63 0.00 56 K 8.50 3.53 0.00 2.00 1.81 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.53 7.81 57 R 8.39 4.69 0.00 1.86 1.87 0.00 3.25 0.00 0.00 3.17 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 58 N 8.36 4.91 0.00 2.63 2.69 0.00 0.00 6.61 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 59 R 8.05 4.63 0.00 1.83 1.82 0.00 3.29 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 60 I 8.11 4.52 2.02 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.75 0.89 0.00 0.00 61 P 0.00 4.41 0.00 2.20 2.09 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 62 L 8.67 4.26 0.00 1.77 1.88 1.07 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.77 4.20 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 0.00 0.00 0.00 64 C 7.94 3.74 0.00 2.66 2.22 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 65 T 8.02 3.86 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 1.16 0.00 0.00 66 I 7.53 3.57 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.50 0.86 0.00 0.00 67 C 8.10 3.93 0.00 3.06 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 68 R 7.40 3.93 0.00 1.82 2.08 0.00 3.25 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 69 K 7.71 4.16 0.00 1.89 1.81 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.56 7.81 70 R 8.17 4.18 0.00 1.73 1.94 0.00 3.24 0.00 0.00 3.20 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 71 K 7.31 4.01 0.00 1.83 1.90 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.50 7.81 72 V 7.43 4.31 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 0.72 0.00 0.00 0.98 0.00 0.00 73 K 8.40 4.43 0.00 1.68 1.69 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.39 7.81 74 C 8.55 4.36 0.00 3.00 2.83 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 75 D 8.76 4.33 0.00 2.84 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 76 K 7.75 4.10 0.00 2.05 2.01 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.65 7.81 77 L 8.56 4.22 0.00 1.88 1.63 0.95 0.89 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 78 R 8.00 4.82 0.00 1.73 1.69 0.00 3.12 0.00 0.00 2.79 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.37 0.00 79 P 0.00 4.33 0.00 2.00 2.13 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 80 H 7.96 4.92 0.00 3.15 3.21 0.00 5.73 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.00 4.34 0.00 3.50 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 82 Q 9.91 4.06 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 83 Q 8.40 3.99 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 84 C 7.97 3.99 0.00 2.97 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 85 T 7.42 3.92 4.33 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 1.20 0.00 0.00 86 K 8.35 4.06 0.00 1.82 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 87 T 7.23 4.37 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 1.19 0.00 0.00 88 G 7.66 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.91 4.29 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 0.70 0.00 0.00 0.95 0.00 0.00 90 A 7.83 3.73 1.09 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 0.00 0.00 0.00 0.00 0.00 91 H 7.67 4.20 0.00 3.14 3.31 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.60 4.61 0.00 1.86 1.61 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.30 4.48 0.00 2.86 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 94 H 8.19 5.07 0.00 3.22 3.37 0.00 5.46 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.78 5.01 0.00 2.79 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 96 M 8.52 4.39 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 97 E 8.65 3.88 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 98 Q 7.99 4.02 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.91 0.00 0.00 0.00 0.00 0.00 1.99 1.47 0.00 99 T 8.09 3.76 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 1.23 0.00 0.00 100 W 7.57 4.64 0.00 3.46 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 0.00 101 A 8.12 4.77 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.75 3.86 0.00 1.96 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 2.54 2.46 0.00 103 E 8.28 4.04 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 104 A 8.03 3.98 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 0.00 105 E 9.03 3.81 0.00 2.21 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 2.41 2.34 0.00 106 K 8.68 3.83 0.00 1.94 1.98 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.50 7.81 107 E 8.48 3.96 0.00 2.18 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 2.33 2.32 0.00 108 L 7.73 3.93 0.00 1.86 1.83 0.92 0.50 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 0.00 109 L 7.92 3.93 0.00 1.92 1.70 0.91 0.63 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 0.00 110 K 8.22 3.78 0.00 1.93 2.01 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.52 7.81 111 D 8.31 4.36 0.00 3.02 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 0.00 112 N 8.30 4.35 0.00 2.88 2.86 0.00 0.00 6.72 7.26 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 0.00 113 E 8.86 3.92 0.00 1.98 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 2.30 2.31 0.00 114 L 8.15 3.95 0.00 1.85 1.65 0.92 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.82 3.91 0.00 1.92 1.92 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 1.56 1.47 7.81 116 K 8.03 4.04 0.00 1.82 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.62 7.81 117 L 8.19 4.01 0.00 1.77 1.71 0.95 0.78 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 0.00 118 R 7.93 4.00 0.00 2.00 1.97 0.00 3.12 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 119 E 8.10 3.84 0.00 2.21 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 2.33 2.31 0.00 120 R 8.42 4.08 0.00 1.86 1.91 0.00 3.09 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 121 V 7.89 3.64 2.17 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 0.80 0.00 0.00 0.99 0.00 0.00 122 K 7.57 4.06 0.00 2.01 1.88 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.53 7.81 123 S 8.00 4.10 0.00 4.02 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 0.00 124 L 7.96 3.94 0.00 1.69 1.70 0.93 1.18 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 0.00 125 E 7.86 4.12 0.00 2.12 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 2.56 0.00 126 K 8.12 3.96 0.00 1.80 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.60 7.81 127 T 7.62 4.09 4.36 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 1.21 0.00 0.00 128 L 7.59 4.55 0.00 1.88 1.84 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 129 S 8.55 4.23 0.00 3.91 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