NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 86 F 4.8185 8.3244 122.8286 56.6078 41.6361 174.5547 87 D 4.6302 8.1367 120.1014 53.6271 41.7592 175.5988 88 L 4.7164 8.7656 116.4626 54.1252 44.3748 176.5528 89 M 4.3046 7.8535 117.2589 56.3333 33.2050 176.9229 90 I 3.6810 7.6338 118.6631 61.7003 37.8137 175.9479 91 K 4.0322 8.7156 124.1695 59.4688 33.0629 176.7759 92 E 4.5003 7.7979 117.6585 54.4442 31.7550 174.2043 93 N 3.9565 8.1052 115.1794 51.9612 37.2757 173.0135 94 P 4.3708 0.0000 0.0000 61.1474 32.6766 175.2890 95 S 4.4559 9.0689 114.6662 58.4456 64.1890 174.5615 96 S 4.4418 8.7847 113.0863 62.0306 62.2132 176.1546 97 Q 4.2308 8.1326 119.4076 58.0739 28.4978 177.2623 98 Y 3.8610 7.8818 120.9829 60.8500 38.6519 178.3335 99 W 4.4147 8.2406 119.0134 59.6913 28.9556 178.2563 100 K 3.7470 8.2878 119.3556 59.3414 31.4976 178.5126 101 E 3.9129 8.2466 119.7708 59.1402 29.6242 178.8024 102 V 3.5014 7.7645 118.1558 65.7172 31.5535 177.7441 103 A 4.0584 8.8140 121.3393 55.1580 18.2560 179.2526 104 E 3.8655 7.9193 117.3118 59.3466 29.7604 178.7758 105 K 3.8470 8.0667 118.6105 59.8259 32.1313 179.3863 106 R 3.8803 8.3850 118.1621 59.2484 29.8401 178.7535 107 R 3.9110 7.7557 117.0531 59.6456 30.2578 178.0867 108 K 4.0436 8.1975 117.5809 59.5456 32.0332 178.7541 109 A 3.9964 7.9396 120.7160 55.5352 18.4053 179.3297 110 L 3.8814 8.6364 118.7840 58.4353 41.8954 178.7366 111 Y 3.8809 8.0074 119.4099 60.8469 38.9381 177.4321 112 E 3.9961 8.5125 118.7301 59.6597 29.4714 178.7405 113 A 3.9763 8.3945 121.4381 54.8478 18.4549 179.2481 114 L 3.8495 7.9781 116.0595 57.7129 41.8332 179.9516 115 K 3.7329 8.0658 119.4526 59.6252 32.1138 178.3823 116 E 3.9348 7.9920 118.6636 59.7243 29.4096 179.3895 117 N 4.2697 8.0363 116.1027 56.4013 38.4437 177.2225 118 E 4.2406 8.3094 120.3881 58.7528 29.6314 178.7488 119 K 4.0689 7.9147 120.1383 59.3052 32.1831 178.8270 120 L 4.0251 8.0723 119.4895 57.9898 41.3841 178.8607 121 H 3.6511 8.6795 116.5325 58.6141 28.5239 177.3210 122 K 4.3005 7.6084 119.3762 57.9153 32.2169 178.6571 123 E 3.9332 7.9691 119.2892 59.0639 29.7800 178.3530 124 I 3.7915 8.5328 120.9269 64.4203 37.1794 177.5536 125 E 3.8747 7.7108 118.5924 59.8382 28.9774 178.8999 126 Q 3.9934 8.3118 119.1094 58.9166 28.9618 178.0667 127 K 4.2987 8.2751 118.7305 57.8780 32.4302 178.3889 128 D 4.5419 7.8944 118.7009 56.4778 40.6167 177.7133 129 N 4.5230 7.9926 116.4729 55.0207 39.2538 176.7768 130 E 3.9050 7.7315 119.8321 59.2654 29.6531 178.8180 131 I 3.6955 8.2362 120.1129 64.2307 37.2441 178.2407 132 A 3.9276 7.6855 121.5566 55.2130 18.0581 179.1380 133 R 3.8127 8.4401 117.4337 60.0556 30.0243 178.5457 134 L 3.9957 7.8703 117.8892 57.6794 40.8340 179.4420 135 K 3.9513 8.3167 119.3305 58.6544 31.8744 178.7659 136 K 3.9037 7.8177 119.9053 59.8175 32.3157 178.4802 137 E 3.9383 7.8503 118.6379 59.3395 29.3180 178.9274 138 N 4.2418 8.2846 116.6960 56.5744 38.7185 177.3060 139 K 3.9907 7.5497 121.0093 59.3741 32.0811 178.4812 140 E 3.9974 8.3031 118.8953 58.4288 29.7272 178.0144 141 L 4.3625 8.4068 118.8642 56.7734 42.5510 178.6183 142 A 4.1412 8.0383 120.4659 54.9528 17.9778 179.2082 143 E 4.4042 8.1387 118.6045 58.2102 29.7694 178.2003 144 V 4.1001 7.9386 116.7694 63.9364 32.0128 177.0320 145 A 4.2722 7.7320 119.0445 54.5579 18.9318 178.4944 146 E 4.0393 7.9707 117.0478 60.2477 29.5317 178.3862 147 H 3.8211 9.0416 112.1318 58.3399 28.5308 181.7489 148 V 2.7003 8.2468 118.4621 62.2960 36.6800 176.9011 149 Q 3.9158 8.0432 123.3789 58.9432 29.2277 178.7542 150 Y 4.3092 8.2707 120.0367 61.5937 38.7348 177.6276 151 M 3.6542 8.0681 118.8958 57.3937 32.0518 177.9816 152 A 3.9430 8.6299 120.9134 55.5959 18.7332 179.4720 153 E 3.8247 8.1614 116.5431 59.5381 29.6089 178.9728 154 L 3.8206 7.6293 120.0698 58.4967 42.0168 178.7840 155 I 3.6058 7.6551 119.1871 64.7114 36.9325 177.7224 156 E 3.8931 7.8450 118.3467 59.4648 29.3811 178.7204 157 R 4.0164 7.8375 117.5326 59.5492 30.3210 178.3393 158 L 4.0779 7.7880 117.2127 56.9237 41.6023 177.2829 159 N 4.6221 7.9073 120.8581 53.6171 39.0890 174.1529 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 86 F 8.32 4.82 0.00 2.91 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 87 D 8.14 4.63 0.00 2.83 2.74 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 88 L 8.77 4.72 0.00 1.65 1.67 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 89 M 7.85 4.30 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 90 I 7.63 3.68 1.77 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 0.83 0.00 0.00 91 K 8.72 4.03 0.00 1.84 1.90 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.44 7.81 92 E 7.80 4.50 0.00 1.96 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 2.24 2.27 0.00 93 N 8.11 3.96 0.00 2.94 2.88 0.00 0.00 5.96 7.75 0.00 0.00 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 P 0.00 4.37 0.00 1.19 1.35 0.00 3.91 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.49 0.00 95 S 9.07 4.46 0.00 3.99 4.14 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 0.00 0.00 0.00 0.00 96 S 8.78 4.44 0.00 4.00 3.97 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 97 Q 8.13 4.23 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.63 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 98 Y 7.88 3.86 0.00 3.20 2.82 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 99 W 8.24 4.41 0.00 3.68 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.29 3.75 0.00 1.95 1.96 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.50 7.81 101 E 8.25 3.91 0.00 2.23 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 102 V 7.76 3.50 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.50 0.00 0.00 103 A 8.81 4.06 1.48 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 0.00 0.00 104 E 7.92 3.87 0.00 2.10 2.10 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 2.30 2.39 0.00 105 K 8.07 3.85 0.00 1.95 1.86 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.60 7.81 106 R 8.39 3.88 0.00 2.02 2.01 0.00 3.23 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 1.69 1.95 0.00 107 R 7.76 3.91 0.00 1.84 2.16 0.00 3.28 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 108 K 8.20 4.04 0.00 2.05 1.87 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.68 7.81 109 A 7.94 4.00 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 0.00 110 L 8.64 3.88 0.00 1.76 1.94 0.94 1.05 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 0.00 111 Y 8.01 3.88 0.00 3.15 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 0.00 112 E 8.51 4.00 0.00 2.21 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 0.00 2.52 2.69 0.00 113 A 8.39 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.98 3.85 0.00 1.70 1.58 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.07 3.73 0.00 1.67 1.90 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.44 7.81 116 E 7.99 3.93 0.00 2.34 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 2.48 0.00 117 N 8.04 4.27 0.00 2.97 2.87 0.00 0.00 6.69 7.66 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 0.00 118 E 8.31 4.24 0.00 2.00 1.91 0.00 0.00 0.00 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 2.30 0.00 119 K 7.91 4.07 0.00 1.88 1.97 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.47 7.81 120 L 8.07 4.03 0.00 1.77 1.64 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 121 H 8.68 3.65 0.00 3.19 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 7.61 4.30 0.00 1.90 1.84 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.44 7.81 123 E 7.97 3.93 0.00 2.07 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 2.31 2.34 0.00 124 I 8.53 3.79 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 0.91 0.00 0.00 125 E 7.71 3.87 0.00 2.17 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 2.32 2.36 0.00 126 Q 8.31 3.99 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.47 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 127 K 8.28 4.30 0.00 1.93 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.63 7.81 128 D 7.89 4.54 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 0.00 129 N 7.99 4.52 0.00 2.89 2.85 0.00 0.00 6.79 7.66 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 0.00 130 E 7.73 3.91 0.00 2.12 2.12 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 2.30 2.39 0.00 131 I 8.24 3.70 2.04 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 1.45 0.64 0.91 0.00 0.00 132 A 7.69 3.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.44 3.81 0.00 1.84 2.19 0.00 3.10 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 134 L 7.87 4.00 0.00 1.77 1.70 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.32 3.95 0.00 2.12 1.91 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 136 K 7.82 3.90 0.00 1.91 2.03 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.33 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.47 7.81 137 E 7.85 3.94 0.00 2.22 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 2.41 0.00 138 N 8.28 4.24 0.00 2.96 2.89 0.00 0.00 6.60 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.55 3.99 0.00 2.01 1.93 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 140 E 8.30 4.00 0.00 2.22 2.05 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 2.33 2.35 0.00 141 L 8.41 4.36 0.00 1.83 1.69 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.04 4.14 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 0.00 143 E 8.14 4.40 0.00 2.29 2.15 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 2.32 2.16 0.00 144 V 7.94 4.10 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 0.94 0.00 0.00 1.03 0.00 0.00 145 A 7.73 4.27 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 0.00 146 E 7.97 4.04 0.00 1.92 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 2.31 2.67 0.00 147 H 9.04 3.82 0.00 3.23 3.27 0.00 5.61 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.25 2.70 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.94 0.00 0.00 149 Q 8.04 3.92 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.72 0.00 150 Y 8.27 4.31 0.00 3.06 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 0.00 151 M 8.07 3.65 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.59 0.00 152 A 8.63 3.94 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 0.00 153 E 8.16 3.82 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 154 L 7.63 3.82 0.00 1.53 1.53 0.61 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.66 3.61 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.58 0.88 0.00 0.00 156 E 7.85 3.89 0.00 2.06 2.13 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 2.32 2.33 0.00 157 R 7.84 4.02 0.00 1.85 2.10 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 158 L 7.79 4.08 0.00 1.80 1.70 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 159 N 7.91 4.62 0.00 2.72 2.66 0.00 0.00 7.05 7.57 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