NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 46 N 4.6879 8.2833 119.2051 53.1422 40.4469 174.8627 47 I 3.4786 8.2807 125.0138 63.9436 37.1155 176.8781 48 D 4.3588 8.9012 119.5440 57.7222 41.4197 178.0988 49 T 3.8611 7.8402 115.7622 66.8181 68.4422 176.2817 50 M 4.0236 8.4626 120.8026 58.3163 31.9136 178.6657 51 A 3.9868 8.1141 120.7745 55.2084 18.5241 179.8725 52 K 3.8992 8.3372 116.9506 59.3874 32.0053 179.4124 53 A 3.9908 8.6456 121.3777 55.2179 18.3003 179.6369 54 L 3.9415 8.2095 117.7216 58.2274 41.7049 179.7919 55 T 3.8466 8.0987 115.6838 66.9896 68.4641 176.4720 56 T 4.3797 8.1495 116.4049 65.1567 67.3344 176.0528 57 M 4.2192 8.4112 120.8538 58.2699 31.9057 178.6138 58 Q 3.9860 8.2320 119.9982 59.2970 29.3280 178.1259 59 E 4.0536 8.2835 119.6182 59.3740 29.4039 179.4195 60 Q 4.0056 8.5232 118.7345 58.7852 28.7450 178.6340 61 I 3.6423 8.0605 121.1266 64.6527 37.2256 178.2441 62 D 4.4210 8.1889 119.5607 57.4011 40.6350 179.1664 63 S 4.0442 8.1040 115.6442 61.4797 62.8881 176.4583 64 L 3.8213 8.2359 123.1792 58.0479 41.8281 178.6220 65 A 3.3182 8.2505 120.7542 54.9554 18.0431 179.4525 66 A 3.8866 7.6894 119.0655 55.2572 18.4425 180.0758 67 V 3.4770 7.4192 116.2836 65.9899 31.5555 178.4289 68 V 3.4773 8.0374 118.3546 66.0688 31.2979 178.0438 69 L 4.0113 8.2359 119.0915 57.7554 41.3211 179.3568 70 Q 3.9273 8.1608 119.6313 59.1803 28.9540 177.9166 71 N 4.3040 8.5173 118.0666 56.1999 38.4539 177.3743 72 R 3.8574 8.2865 120.6026 59.5196 30.1713 178.8634 73 R 4.0322 8.2968 118.2993 58.9625 29.9152 179.3310 74 G 3.5700 8.3370 106.0763 47.8735 0.0000 175.8684 75 L 3.9992 8.3107 122.1958 57.5117 41.3702 179.3890 76 D 4.3768 8.2707 118.5792 57.2357 41.0196 178.2686 77 M 4.1597 8.1092 118.9407 58.7051 32.1482 178.3658 78 L 4.2009 8.0531 117.7897 56.7143 41.8229 177.8711 79 T 5.0852 7.7453 107.5790 60.0611 69.4653 175.8347 80 A 3.9323 8.0026 127.8606 56.1178 18.4473 180.8974 81 A 4.0071 7.9814 117.0155 54.8401 18.8842 178.0008 82 Q 4.2971 8.0479 113.2442 55.8755 29.1185 176.8744 83 G 3.8164 7.7369 106.7075 45.3272 0.0000 173.9078 84 G 3.9431 8.2754 106.2132 44.3628 0.0000 175.2138 85 I 3.6551 9.2665 118.9222 63.9617 37.7758 177.6151 86 C 4.2840 8.0058 117.1066 60.0390 35.6169 175.8965 87 L 3.9047 7.8724 119.8833 57.6315 41.0412 179.2445 88 A 4.0196 8.0958 120.3743 55.0456 18.4322 179.2466 89 L 4.0410 8.1260 116.0867 54.9451 42.3285 176.3400 90 D 4.3831 7.8927 117.1958 55.4612 39.8362 172.3176 91 E 4.7972 8.1051 115.2958 53.6652 33.7914 175.9829 92 K 4.0926 8.4257 121.5764 56.5173 32.7918 177.2177 93 C 4.5079 8.7224 125.7848 56.4958 44.4166 172.0159 94 C 5.0216 8.3387 122.3110 58.0327 29.7826 173.4170 95 F 4.9010 8.8709 121.9088 55.4688 41.7665 175.2374 96 W 4.8030 8.7107 131.4927 55.4582 31.2526 173.5156 97 V 4.1937 7.6725 123.3156 61.4628 33.3840 175.2196 98 N 4.4205 8.5331 123.0227 53.7401 38.1452 174.0139 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 N 8.28 4.69 0.00 2.82 2.75 0.00 0.00 7.08 7.12 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 47 I 8.28 3.48 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 0.74 0.91 0.00 0.00 48 D 8.90 4.36 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.84 3.86 4.44 0.00 0.00 0.00 0.00 0.00 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 50 M 8.46 4.02 0.00 2.02 2.29 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 2.90 2.57 0.00 51 A 8.11 3.99 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.34 3.90 0.00 1.97 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.30 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.78 7.81 53 A 8.65 3.99 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 54 L 8.21 3.94 0.00 1.90 1.74 0.93 0.86 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 55 T 8.10 3.85 4.41 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 1.22 0.00 0.00 56 T 8.15 4.38 4.25 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 0.00 0.00 1.33 0.00 0.00 57 M 8.41 4.22 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.55 0.00 58 Q 8.23 3.99 0.00 2.26 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 59 E 8.28 4.05 0.00 2.22 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 2.34 2.64 0.00 60 Q 8.52 4.01 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 61 I 8.06 3.64 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.01 1.08 0.00 0.00 62 D 8.19 4.42 0.00 2.75 2.77 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 0.00 0.00 0.00 63 S 8.10 4.04 0.00 3.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.24 3.82 0.00 1.75 1.66 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.25 3.32 0.16 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 0.00 0.00 66 A 7.69 3.89 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 67 V 7.42 3.48 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 0.92 0.00 0.00 0.91 0.00 0.00 68 V 8.04 3.48 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.79 0.00 0.00 69 L 8.24 4.01 0.00 1.66 1.72 1.10 1.13 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 70 Q 8.16 3.93 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 71 N 8.52 4.30 0.00 2.87 2.81 0.00 0.00 6.65 7.51 0.00 0.00 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 R 8.29 3.86 0.00 1.83 2.07 0.00 3.10 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 73 R 8.30 4.03 0.00 2.02 1.95 0.00 3.19 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 74 G 8.34 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.31 4.00 0.00 1.78 1.70 0.89 0.93 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 76 D 8.27 4.38 0.00 2.78 2.71 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 0.00 0.00 0.00 0.00 77 M 8.11 4.16 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 78 L 8.05 4.20 0.00 1.77 1.71 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.75 5.09 4.23 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 0.00 0.00 0.00 1.24 0.00 0.00 80 A 8.00 3.93 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 81 A 7.98 4.01 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 82 Q 8.05 4.30 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.58 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 83 G 7.74 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.28 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.27 3.66 1.84 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 1.49 1.13 0.89 0.00 0.00 86 C 8.01 4.28 0.00 2.96 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 87 L 7.87 3.90 0.00 1.72 1.79 0.96 1.05 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 88 A 8.10 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 89 L 8.13 4.04 0.00 1.80 1.73 0.94 1.00 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 90 D 7.89 4.38 0.00 2.81 2.71 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 0.00 0.00 0.00 0.00 91 E 8.11 4.80 0.00 1.95 1.80 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 2.23 2.22 0.00 92 K 8.43 4.09 0.00 1.74 1.75 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.48 7.81 93 C 8.72 4.51 0.00 3.03 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.34 5.02 0.00 2.99 2.89 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 F 8.87 4.90 0.00 2.95 2.99 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 96 W 8.71 4.80 0.00 3.22 3.17 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 0.00 0.00 0.00 0.00 97 V 7.67 4.19 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 0.86 0.00 0.00 0.99 0.00 0.00 98 N 8.53 4.42 0.00 2.67 2.65 0.00 0.00 6.94 7.56 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