NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 52 S 4.4136 8.1885 115.4138 58.0144 64.7202 175.6575 53 A 3.8810 8.0846 125.0467 55.3020 18.2496 177.8987 54 R 3.8960 8.8189 118.5210 59.3446 30.5627 176.6413 55 D 4.3225 7.9296 118.7198 57.5499 40.8746 178.8321 56 I 3.7119 7.6679 119.6952 64.7381 37.1768 178.1602 57 H 4.4533 8.4980 117.2887 58.6590 28.4713 177.7338 58 Q 3.9781 8.1965 121.6855 59.0738 28.8875 178.1759 59 L 3.9822 8.0798 120.0808 57.8830 41.5987 179.3606 60 E 3.9408 8.6479 118.7231 59.3221 29.3924 179.2222 61 A 3.9777 8.1371 120.8206 55.2214 18.4306 179.7233 62 R 3.8661 8.0026 117.1422 59.5671 30.1212 178.8498 63 I 3.7414 7.9800 119.7768 64.3789 37.0912 178.0679 64 D 4.3647 8.3581 120.0156 57.4486 40.6806 178.7814 65 S 4.1035 8.1147 113.5434 61.4326 62.3448 176.2680 66 L 3.9986 8.0391 121.4633 57.7167 41.3522 179.3079 67 A 4.0365 8.5031 120.9979 55.0796 18.2266 179.5922 68 A 3.9625 8.1805 119.3593 55.3093 18.3602 180.1384 69 R 3.8502 8.1200 116.6818 59.2572 30.1519 178.5552 70 N 4.2580 8.5711 117.3402 57.0301 38.7996 177.0738 71 S 4.1295 8.2281 116.3551 61.2832 62.9172 176.3902 72 K 3.8580 8.2171 122.4608 59.5934 31.8933 178.6775 73 L 3.9907 8.1994 119.3464 58.2167 41.5546 179.5225 74 M 4.1018 8.1028 118.4701 58.3663 31.9338 178.6962 75 E 3.9650 8.4871 119.0161 59.7334 29.6527 179.5189 76 T 3.8745 7.9584 115.6797 66.6979 68.4576 176.7193 77 L 4.0212 8.3927 121.2755 57.6246 41.7031 179.5737 78 K 3.9168 8.2266 118.5355 59.6151 32.0137 179.1738 79 E 4.1270 8.1859 118.3299 59.3707 29.3010 179.2342 80 A 3.9994 8.0383 120.8463 55.0411 18.4401 179.5481 81 R 3.8170 8.1928 117.3009 59.7813 30.1853 178.6962 82 Q 4.0173 7.9578 117.4590 59.2635 28.6722 179.0523 83 Q 4.0502 8.2012 118.9537 58.7723 28.6340 178.6853 84 L 3.9954 8.3003 120.5428 57.6969 41.6286 179.4503 85 L 3.9570 8.0791 118.7625 57.8072 41.5423 179.4992 86 A 4.0183 8.1546 120.7262 54.9115 18.2870 179.4442 87 L 3.8937 8.1597 119.1364 58.2882 42.2679 179.2139 88 R 3.9081 8.3105 118.9760 59.4737 30.0956 178.4040 89 E 4.0283 8.2577 118.5124 59.2579 29.1770 179.2336 90 E 3.9599 8.1516 118.0817 59.3592 29.9590 179.0070 91 V 3.7290 7.9077 118.2991 66.1682 31.2771 177.7981 92 D 4.4479 7.8009 117.1542 57.3318 40.7336 178.2781 93 R 4.0959 7.5218 117.3658 58.6349 30.2447 176.3561 94 L 4.3169 7.3970 121.6990 55.0700 42.3711 175.6182 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 S 8.19 4.41 0.00 4.50 4.08 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 0.00 0.00 0.00 53 A 8.08 3.88 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 54 R 8.82 3.90 0.00 1.91 1.95 0.00 3.19 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 55 D 7.93 4.32 0.00 3.01 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 56 I 7.67 3.71 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.58 0.88 0.00 0.00 57 H 8.50 4.45 0.00 3.23 3.35 0.00 5.81 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.20 3.98 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 59 L 8.08 3.98 0.00 1.88 1.69 0.92 0.79 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 60 E 8.65 3.94 0.00 1.97 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 2.31 2.48 0.00 61 A 8.14 3.98 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 62 R 8.00 3.87 0.00 1.97 2.09 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 63 I 7.98 3.74 1.87 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 0.56 0.91 0.00 0.00 64 D 8.36 4.36 0.00 2.84 2.72 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 65 S 8.11 4.10 0.00 3.90 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 66 L 8.04 4.00 0.00 1.92 1.70 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.50 4.04 1.36 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 0.00 0.00 68 A 8.18 3.96 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 69 R 8.12 3.85 0.00 2.00 1.99 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 70 N 8.57 4.26 0.00 2.71 2.98 0.00 0.00 7.24 7.32 0.00 0.00 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 S 8.23 4.13 0.00 4.03 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 72 K 8.22 3.86 0.00 1.82 1.98 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 73 L 8.20 3.99 0.00 1.87 1.70 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 74 M 8.10 4.10 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.72 0.00 75 E 8.49 3.97 0.00 2.10 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 2.33 2.50 0.00 76 T 7.96 3.87 4.38 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 1.21 0.00 0.00 77 L 8.39 4.02 0.00 1.79 1.71 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.23 3.92 0.00 1.94 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 79 E 8.19 4.13 0.00 2.20 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 2.33 2.50 0.00 80 A 8.04 4.00 1.36 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 0.00 0.00 81 R 8.19 3.82 0.00 1.88 2.11 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 82 Q 7.96 4.02 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 83 Q 8.20 4.05 0.00 2.21 2.14 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 2.39 2.62 0.00 84 L 8.30 4.00 0.00 1.84 1.71 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.08 3.96 0.00 1.86 1.72 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.15 4.02 1.36 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 0.00 0.00 87 L 8.16 3.89 0.00 1.88 1.87 0.92 0.72 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 88 R 8.31 3.91 0.00 1.90 2.04 0.00 3.15 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 89 E 8.26 4.03 0.00 2.07 1.98 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 2.33 2.57 0.00 90 E 8.15 3.96 0.00 2.06 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 2.34 2.31 0.00 91 V 7.91 3.73 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 1.03 0.00 0.00 1.00 0.00 0.00 92 D 7.80 4.45 0.00 2.86 2.72 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 93 R 7.52 4.10 0.00 1.93 2.03 0.00 3.26 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.81 0.00 94 L 7.40 4.32 0.00 1.59 1.47 0.92 0.90 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