NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 91 R 4.2488 8.2431 119.7067 56.2352 31.3668 172.9601 92 G 4.0608 8.2177 108.1648 43.0958 0.0000 171.9606 93 P 4.2434 0.0000 0.0000 62.0599 31.2487 174.9483 *95 Y 4.5434 8.3736 116.4630 58.6510 39.8662 175.1242 96 D 4.6849 7.9116 117.4669 52.4831 44.8587 174.2113 97 D 4.7745 8.4827 123.0109 51.5444 41.8054 174.5715 98 P 4.2709 0.0000 0.0000 65.7361 31.4518 177.6449 99 T 4.0797 7.6709 106.4748 61.8772 69.1537 174.6832 100 L 3.7641 7.3012 125.7291 54.0656 42.8252 174.7598 101 P 4.1354 0.0000 0.0000 62.5308 31.4793 174.9529 102 E 4.0249 8.7547 120.2726 58.7905 29.1749 177.3053 103 G 4.0497 9.3414 114.6697 44.7295 0.0000 172.5211 104 W 5.3882 7.9781 118.9291 55.5991 30.8703 176.1263 105 T 4.7983 8.4367 117.6469 61.9979 72.5117 172.7344 106 R 4.8201 8.7406 126.1395 55.3209 31.6588 175.2957 107 K 4.6251 9.4713 127.4021 54.8253 35.1869 174.4597 108 L 5.2108 8.7704 127.8682 53.2781 43.3590 175.9744 109 K 4.7025 9.2232 125.5768 54.4646 34.6100 174.8219 110 Q 4.3840 8.9328 129.6030 55.8873 29.9617 175.6482 111 R 4.1604 9.3162 127.0875 56.2764 30.6365 177.9728 112 K 4.0336 8.8391 123.0942 58.2371 32.6971 176.4247 113 S 4.4396 7.5684 111.1389 57.6613 66.1600 173.7606 114 G 3.8805 8.5494 108.9968 44.6419 0.0000 174.3516 115 R 4.0426 8.4054 116.5707 58.3239 30.2479 177.8944 116 S 4.4109 7.9249 111.2318 57.7904 63.7808 173.7491 117 A 4.2829 7.4193 125.2381 54.2297 18.4899 176.1327 118 G 4.0717 8.8170 111.5432 45.6563 0.0000 174.7616 119 K 4.1033 7.9532 118.1762 56.5177 33.3611 175.8593 120 Y 5.2266 8.4836 119.6026 56.5742 40.2841 174.8363 121 D 4.8599 9.1096 123.5176 52.8258 43.3498 175.4968 122 V 4.5868 8.0420 122.3787 61.8152 33.2642 174.5563 123 Y 5.2001 8.9287 124.4832 56.3609 42.1441 174.0586 124 L 5.3950 9.2211 124.2180 53.2524 44.4496 175.3279 125 I 4.9538 9.1049 125.3499 59.2367 39.3274 174.7857 126 N 3.3890 9.1824 126.2043 52.8419 39.5646 173.9014 127 P 4.3696 0.0000 0.0000 64.1170 31.5720 177.0374 128 Q 4.5002 7.8141 115.6974 55.7297 28.9218 176.7148 129 G 3.8403 7.8080 107.3984 46.1662 0.0000 174.1672 130 K 4.1055 7.5369 121.6206 55.6358 33.4798 175.1539 131 A 5.1623 8.0605 128.4105 50.3984 21.4021 175.9485 132 F 5.0296 8.9716 118.2703 56.0834 42.4171 176.3060 133 R 4.3492 9.5049 122.1479 57.2238 30.8096 176.5295 134 S 2.7900 6.9090 111.4288 55.5239 66.3389 175.8409 135 K 3.8087 7.5897 122.0905 59.6289 31.5498 178.6183 136 V 3.4970 7.0403 117.0403 66.0172 31.4803 177.6319 137 E 4.1401 7.8631 117.0108 59.0660 29.6330 178.9115 138 L 3.2872 7.3485 118.9803 57.3492 41.5835 180.4825 139 I 3.7954 7.4295 116.8677 62.1474 36.8119 177.2937 *141 Y 4.6398 7.8420 123.1007 57.7718 40.5756 177.1611 142 F 4.5769 8.3640 118.7952 60.6107 39.2633 177.2721 143 E 3.9904 8.5804 121.6114 59.0354 29.7811 178.7330 144 K 3.7982 8.0552 118.5650 59.6595 32.3361 178.2698 145 V 3.6323 7.5705 110.3190 62.2790 31.6544 176.6213 146 G 3.7553 7.4999 107.6492 46.2673 0.0000 172.8013 147 D 4.7301 8.2571 118.7938 52.8767 42.3319 175.6987 148 T 4.5339 8.1168 117.6892 61.4465 69.1747 174.8452 149 S 4.1890 8.5307 115.7434 61.1690 63.2172 174.7008 150 L 4.2824 7.4135 120.0386 53.0058 42.6862 175.4666 151 D 4.6911 8.4806 122.9804 52.4938 41.0403 175.1188 152 P 4.3545 0.0000 0.0000 65.1523 31.4902 177.4543 153 N 4.6667 8.6348 114.8490 55.2076 38.9826 176.4485 154 D 4.4105 8.5031 118.6777 57.1869 40.9887 177.3121 155 F 3.8575 8.5570 116.3913 57.7653 39.5972 173.9660 156 D 4.7814 8.4669 124.4679 52.9093 42.0469 176.2493 157 F 4.7376 8.7223 123.9111 57.2117 39.7386 175.8033 158 T 4.1700 8.4599 113.2721 61.0159 69.4661 175.4800 159 V 3.5184 8.5386 125.3912 66.4886 31.5504 177.5925 160 T 3.7902 7.6773 107.7761 62.7676 68.9488 172.9607 161 G 3.7840 7.2893 110.4171 46.5277 0.0000 173.6400 162 R 4.1957 8.9289 123.6203 56.7916 30.5991 176.4767 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 91 R 8.24 4.25 0.00 1.81 1.99 0.00 3.14 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 92 G 8.22 4.06 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 0.00 0.00 0.00 93 P 0.00 4.24 0.00 0.94 1.03 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 *95 Y 8.37 4.54 0.00 2.98 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 96 D 7.91 4.68 0.00 2.65 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.48 4.77 0.00 2.63 2.51 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 0.00 0.00 0.00 0.00 98 P 0.00 4.27 0.00 2.20 2.16 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 99 T 7.67 4.08 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 1.16 0.00 0.00 100 L 7.30 3.76 0.00 1.78 1.66 0.71 1.04 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 0.00 101 P 0.00 4.14 0.00 2.14 1.88 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.70 0.00 102 E 8.75 4.02 0.00 1.97 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 2.34 2.46 0.00 103 G 9.34 4.05 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 0.00 0.00 0.00 104 W 7.98 5.39 0.00 3.32 3.35 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 0.00 105 T 8.44 4.80 4.32 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 0.00 0.00 0.00 1.27 0.00 0.00 106 R 8.74 4.82 0.00 1.83 1.85 0.00 3.15 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 107 K 9.47 4.63 0.00 1.88 1.90 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.51 7.81 108 L 8.77 5.21 0.00 1.65 1.66 0.19 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 109 K 9.22 4.70 0.00 2.10 2.00 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.52 7.81 110 Q 8.93 4.38 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 111 R 9.32 4.16 0.00 1.88 1.81 0.00 3.28 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 112 K 8.84 4.03 0.00 1.74 1.86 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.37 7.81 113 S 7.57 4.44 0.00 3.91 3.80 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 0.00 0.00 0.00 114 G 8.55 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 0.00 0.00 0.00 115 R 8.41 4.04 0.00 1.81 2.00 0.00 3.20 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 116 S 7.92 4.41 0.00 3.98 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 0.00 117 A 7.42 4.28 1.24 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 0.00 0.00 0.00 118 G 8.82 4.07 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 0.00 0.00 0.00 119 K 7.95 4.10 0.00 1.77 1.73 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.56 7.81 120 Y 8.48 5.23 0.00 2.78 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 9.11 4.86 0.00 2.61 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 0.00 0.00 0.00 0.00 122 V 8.04 4.59 2.17 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 0.80 0.00 0.00 0.95 0.00 0.00 123 Y 8.93 5.20 0.00 3.22 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 9.22 5.39 0.00 1.97 1.92 0.07 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 125 I 9.10 4.95 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.12 0.86 0.00 0.00 126 N 9.18 3.39 0.00 2.83 2.71 0.00 0.00 6.81 8.30 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 0.00 127 P 0.00 4.37 0.00 2.00 2.05 0.00 3.39 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.82 0.00 128 Q 7.81 4.50 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 129 G 7.81 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.54 4.11 0.00 1.66 1.40 0.00 1.52 0.00 0.00 1.24 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.60 1.05 7.81 131 A 8.06 5.16 1.10 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 0.00 0.00 132 F 8.97 5.03 0.00 3.35 3.04 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 0.00 0.00 0.00 133 R 9.50 4.35 0.00 2.12 1.90 0.00 3.40 0.00 0.00 3.41 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 134 S 6.91 2.79 0.00 3.54 3.56 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 0.00 135 K 7.59 3.81 0.00 1.88 1.74 0.00 1.87 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.50 7.81 136 V 7.04 3.50 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 0.85 0.00 0.00 0.87 0.00 0.00 137 E 7.86 4.14 0.00 2.20 2.19 0.00 0.00 0.00 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 2.33 0.00 138 L 7.35 3.29 0.00 1.50 1.02 0.11 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.43 3.80 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.03 0.92 0.00 0.00 *141 Y 7.84 4.64 0.00 3.36 2.97 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 0.00 142 F 8.36 4.58 0.00 3.07 3.14 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 0.00 143 E 8.58 3.99 0.00 2.19 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 0.00 2.32 2.30 0.00 144 K 8.06 3.80 0.00 1.74 1.85 0.00 1.86 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.43 7.81 145 V 7.57 3.63 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 0.14 0.00 0.00 0.87 0.00 0.00 146 G 7.50 3.76 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 0.00 0.00 0.00 147 D 8.26 4.73 0.00 2.61 2.49 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 0.00 0.00 0.00 0.00 148 T 8.12 4.53 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 0.00 149 S 8.53 4.19 0.00 3.96 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 0.00 150 L 7.41 4.28 0.00 1.03 1.68 0.82 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 151 D 8.48 4.69 0.00 2.68 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.35 0.00 2.13 2.05 0.00 3.83 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.47 0.00 153 N 8.63 4.67 0.00 3.01 2.91 0.00 0.00 7.00 8.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.50 4.41 0.00 2.41 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 F 8.56 3.86 0.00 2.85 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 0.00 156 D 8.47 4.78 0.00 2.63 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 0.00 157 F 8.72 4.74 0.00 3.09 3.02 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 0.00 0.00 0.00 158 T 8.46 4.17 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 1.24 0.00 0.00 159 V 8.54 3.52 2.06 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 0.71 0.00 0.00 0.96 0.00 0.00 160 T 7.68 3.79 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 161 G 7.29 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 R 8.93 4.20 0.00 1.91 1.95 0.00 3.39 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.