NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 46 A 4.3489 8.2493 123.5852 51.8423 20.4888 177.2673 47 T 4.2517 7.5862 104.7687 60.3620 70.5299 173.3424 48 E 3.7721 8.4007 121.6580 58.9158 30.6202 179.5206 49 L 3.8693 7.9595 121.1287 58.2817 42.0497 178.7881 50 V 3.5013 7.2261 117.4228 66.5135 31.3098 177.8076 51 N 4.3482 8.2129 115.8228 56.1036 38.2402 177.6820 52 K 4.0089 7.8112 119.6077 59.2000 32.1828 179.3202 53 I 3.0761 7.5697 120.0669 64.2426 36.9438 178.3239 54 S 4.1326 7.8972 115.9046 61.8242 62.6408 176.8007 55 E 3.9618 8.2281 120.7493 59.5443 28.8395 179.1329 56 N 4.3977 8.3415 116.5089 56.8494 38.8340 176.9863 57 C 4.4272 9.0576 118.3246 59.5129 34.4399 175.9277 58 F 4.0662 8.7144 122.9834 61.5131 38.8238 176.9094 59 E 4.0794 8.4110 116.7811 59.1620 29.3719 178.8611 60 K 4.3384 7.6991 115.5615 57.0316 32.7758 176.5848 61 C 4.8717 7.9463 114.0840 56.4506 42.1075 173.8060 62 L 4.8758 7.4039 117.9048 53.1126 45.0753 175.8789 63 T 4.2272 7.5203 116.0628 61.1445 72.5905 173.3740 64 S 3.5144 7.7350 117.8140 58.5246 62.5337 172.2207 65 P 4.6956 0.0000 0.0000 62.5331 31.2813 175.2479 66 Y 3.5627 7.3535 114.2199 59.7199 35.8654 171.9993 67 A 4.1054 8.2650 122.7878 55.2784 19.1237 178.7733 68 T 4.3151 7.6106 112.7214 62.0330 69.0689 175.0191 69 R 4.0883 8.4475 127.5046 56.6022 30.7875 176.3516 70 N 4.9797 8.2107 121.8959 51.5206 39.4902 174.0236 71 D 4.5580 8.1963 121.7620 55.8733 41.3132 177.6662 72 A 4.0029 7.8907 121.6684 55.2423 18.3979 179.9683 73 C 4.2622 8.2800 116.7880 59.6890 41.9263 175.8676 74 I 3.6724 7.4453 120.1376 64.4205 36.6603 177.9694 75 D 4.3624 7.9086 119.1643 57.5294 40.6539 178.9389 76 Q 3.9812 7.8285 118.0925 59.2374 28.7207 178.0553 77 C 4.2396 8.4398 119.6175 59.6015 44.4097 175.1621 78 L 3.9126 8.6351 121.8747 58.1939 41.6883 178.4876 79 A 4.0198 8.1621 120.6000 55.4597 18.2112 179.4816 80 K 3.9041 8.7746 118.0628 59.7864 32.1762 178.3634 81 Y 3.9195 8.2849 120.0146 61.0293 38.7938 177.8724 82 M 4.2760 8.4160 119.6695 58.4228 31.8993 178.9625 83 R 4.0395 8.1357 118.3779 59.3130 30.1750 179.3142 84 S 4.1019 7.8490 115.0618 61.0595 62.6962 176.3382 85 W 3.9347 8.1257 131.0713 60.5662 30.4851 177.6211 86 N 4.5516 8.4392 116.3349 56.6323 38.0081 177.5862 87 V 3.6137 7.6348 119.3624 65.9577 31.5518 178.2258 88 I 3.6662 7.7534 119.9002 64.2737 36.9599 178.5316 89 S 4.0030 7.9400 115.4082 61.0371 62.6440 176.5039 90 K 3.8708 8.2015 122.9531 59.3017 31.8227 178.5401 91 A 3.9771 7.8621 119.6652 55.3065 18.6694 178.6699 92 Y 4.1787 8.3856 118.2385 61.1026 38.6770 178.4765 93 I 3.5685 7.9384 120.7135 64.2493 37.0101 178.1965 94 S 4.2462 7.9356 114.0165 60.1580 62.6301 175.3356 95 R 4.3145 7.3857 120.7143 56.6562 31.3112 175.7491 96 I 3.8441 7.1439 112.3650 65.0108 37.8941 175.7952 97 Q 3.4865 7.6558 123.9935 57.4323 28.5359 175.2184 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 46 A 8.25 4.35 1.30 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 0.00 0.00 0.00 47 T 7.59 4.25 4.22 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 1.19 0.00 0.00 48 E 8.40 3.77 0.00 2.22 2.25 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 2.38 2.38 0.00 49 L 7.96 3.87 0.00 1.81 1.92 1.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.23 3.50 2.23 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 0.92 0.00 0.00 0.88 0.00 0.00 51 N 8.21 4.35 0.00 2.90 2.80 0.00 0.00 7.09 7.22 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 52 K 7.81 4.01 0.00 1.90 1.89 0.00 1.72 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.57 1.54 7.81 53 I 7.57 3.08 1.73 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.58 0.62 0.00 0.00 54 S 7.90 4.13 0.00 4.01 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.23 3.96 0.00 2.19 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 2.26 2.52 0.00 56 N 8.34 4.40 0.00 2.99 3.03 0.00 0.00 7.13 8.35 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 57 C 9.06 4.43 0.00 3.05 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 58 F 8.71 4.07 0.00 3.25 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 59 E 8.41 4.08 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 2.54 2.81 0.00 60 K 7.70 4.34 0.00 1.76 1.87 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.79 7.81 61 C 7.95 4.87 0.00 3.05 3.06 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 62 L 7.40 4.88 0.00 1.06 1.36 0.87 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.52 4.23 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 1.03 0.00 0.00 64 S 7.73 3.51 0.00 3.79 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.70 0.00 2.25 2.12 0.00 3.86 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 66 Y 7.35 3.56 0.00 3.17 3.12 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 67 A 8.26 4.11 1.29 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 0.00 0.00 0.00 68 T 7.61 4.32 4.22 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 1.20 0.00 0.00 69 R 8.45 4.09 0.00 1.79 1.84 0.00 3.22 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 70 N 8.21 4.98 0.00 2.68 2.59 0.00 0.00 7.22 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.20 4.56 0.00 2.77 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 72 A 7.89 4.00 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 73 C 8.28 4.26 0.00 2.97 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 74 I 7.45 3.67 1.88 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 1.77 0.88 0.93 0.00 0.00 75 D 7.91 4.36 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.83 3.98 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 77 C 8.44 4.24 0.00 3.11 3.29 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 0.00 78 L 8.64 3.91 0.00 1.74 1.93 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.16 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.77 3.90 0.00 2.06 2.00 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 81 Y 8.28 3.92 0.00 3.35 3.10 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 0.00 0.00 0.00 0.00 82 M 8.42 4.28 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.98 0.00 83 R 8.14 4.04 0.00 2.06 2.01 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 84 S 7.85 4.10 0.00 3.80 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 85 W 8.13 3.93 0.00 3.56 3.39 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 86 N 8.44 4.55 0.00 3.11 2.96 0.00 0.00 6.72 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.63 3.61 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 1.09 0.00 0.00 1.03 0.00 0.00 88 I 7.75 3.67 1.62 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.32 0.67 0.00 0.00 89 S 7.94 4.00 0.00 3.70 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.20 3.87 0.00 1.87 2.08 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.46 7.81 91 A 7.86 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 92 Y 8.39 4.18 0.00 2.99 3.07 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 0.00 0.00 0.00 93 I 7.94 3.57 1.92 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 1.52 0.75 0.87 0.00 0.00 94 S 7.94 4.25 0.00 3.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.39 4.31 0.00 1.99 1.76 0.00 3.35 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 96 I 7.14 3.84 1.71 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.60 0.45 0.00 0.00 97 Q 7.66 3.49 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00