NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 52 R 4.3147 8.2544 117.2809 56.3382 30.5873 175.5701 53 N 4.7077 8.0599 118.4896 50.9531 39.6569 172.8483 54 D 4.3709 8.8349 126.2596 56.6339 42.1055 177.2661 55 A 3.7289 7.9510 121.0740 54.8532 18.3322 179.1069 56 E 3.8242 8.0446 117.4132 59.5465 29.6806 178.9467 57 R 3.8709 7.4398 117.0555 59.1903 30.4286 177.8139 58 L 4.0648 8.7132 120.9489 58.2055 42.0493 178.6979 59 A 3.9973 8.4941 120.9866 55.2646 18.1668 178.9452 60 D 4.6293 7.8871 117.4170 57.0949 41.2238 177.8239 61 E 3.9049 8.0344 119.3321 59.3434 29.7546 178.4675 62 Q 4.0130 8.1087 117.4269 59.2627 29.0470 179.4469 63 S 4.1390 8.2765 115.0681 61.6088 63.0703 176.2340 64 E 3.9963 8.4453 122.9840 58.6805 29.3206 178.7894 65 L 4.0549 7.8712 119.5056 57.4723 41.5865 179.5315 66 V 3.6318 7.7582 118.1610 65.6602 31.5390 178.1430 67 K 3.9558 8.1853 118.7563 60.0332 32.1913 179.0117 68 K 4.0262 8.0165 120.4891 59.2311 32.1165 178.4886 69 M 4.0076 7.8599 118.0936 58.7175 32.2043 178.3208 70 V 3.5488 8.1747 118.7996 65.8358 31.5420 177.3683 71 F 4.2299 8.2537 120.3800 61.6432 39.1771 176.5963 72 D 4.0107 7.8125 117.7185 58.3037 40.7288 178.6683 73 T 3.7306 7.7684 115.9673 66.3280 68.2492 176.2362 74 L 3.4013 8.6170 120.8835 58.3203 41.9197 179.0075 75 K 3.7335 8.4146 119.8154 60.0208 31.7303 178.0637 76 D 4.2812 8.2475 117.9814 57.1296 41.1068 178.6221 77 L 3.9439 8.0481 120.6799 58.2993 41.9055 178.2629 78 Y 4.5849 8.6600 117.0326 60.2267 36.6014 177.8117 79 K 4.1766 7.9313 120.8212 59.0146 32.0690 178.5646 80 K 4.2104 7.7380 119.7916 59.3520 32.0353 178.7256 81 T 4.0436 7.3071 109.7023 64.5764 69.1697 174.4559 82 T 4.1333 7.3795 119.2313 61.2960 67.4011 173.7604 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 52 R 8.25 4.31 0.00 1.93 2.00 0.00 2.98 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 53 N 8.06 4.71 0.00 2.84 2.67 0.00 0.00 7.17 7.61 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 54 D 8.83 4.37 0.00 2.73 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 55 A 7.95 3.73 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 56 E 8.04 3.82 0.00 2.04 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 2.37 2.36 0.00 57 R 7.44 3.87 0.00 1.82 1.94 0.00 3.37 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 58 L 8.71 4.06 0.00 1.70 1.76 0.98 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.49 4.00 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 60 D 7.89 4.63 0.00 2.87 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 61 E 8.03 3.90 0.00 2.12 1.90 0.00 0.00 0.00 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 2.50 0.00 62 Q 8.11 4.01 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 63 S 8.28 4.14 0.00 4.04 4.15 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 64 E 8.45 4.00 0.00 2.25 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 2.29 2.34 0.00 65 L 7.87 4.05 0.00 1.93 1.70 0.92 0.82 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 66 V 7.76 3.63 2.21 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 1.22 0.00 0.00 0.96 0.00 0.00 67 K 8.19 3.96 0.00 2.03 2.16 0.00 1.36 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.45 7.81 68 K 8.02 4.03 0.00 2.09 1.88 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.47 7.81 69 M 7.86 4.01 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 70 V 8.17 3.55 2.24 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 1.02 0.00 0.00 0.99 0.00 0.00 71 F 8.25 4.23 0.00 3.12 3.33 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 72 D 7.81 4.01 0.00 2.78 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.77 3.73 4.27 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 1.11 0.00 0.00 74 L 8.62 3.40 0.00 1.39 0.69 0.91 0.61 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 75 K 8.41 3.73 0.00 0.99 1.37 0.00 1.48 0.00 0.00 0.94 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.15 1.26 7.81 76 D 8.25 4.28 0.00 2.72 2.56 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 0.00 0.00 0.00 0.00 77 L 8.05 3.94 0.00 1.51 1.63 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.66 4.58 0.00 3.10 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.93 4.18 0.00 2.09 1.80 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 80 K 7.74 4.21 0.00 1.75 1.86 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.46 7.81 81 T 7.31 4.04 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 1.25 0.00 0.00 82 T 7.38 4.13 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 1.27 0.00 0.00