NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9279 8.2516 120.0721 54.8230 33.6828 174.6761 2 K 3.9692 8.4003 126.0822 54.9188 33.5116 174.1559 3 S 4.8056 8.4751 120.6381 56.3769 67.1487 174.8936 4 V 3.5058 8.5021 118.2240 66.4232 31.2581 177.8524 5 I 3.8334 7.6353 118.9758 64.4670 37.0338 178.4179 6 T 3.9175 8.2288 117.1227 66.8273 68.0527 176.9685 7 T 3.9381 7.9801 118.1243 66.4408 68.4067 177.1565 8 T 3.8309 7.8275 111.5926 64.9141 68.9022 176.8329 9 I 3.6603 7.7495 123.1246 64.0619 37.0865 178.4642 10 S 4.1353 8.2474 115.7504 61.7052 62.1258 176.8039 11 A 3.9637 7.6703 122.7629 54.9325 18.1040 179.6236 12 A 3.9476 8.2179 119.5261 55.2626 18.4138 179.3327 13 D 4.2435 8.5404 116.8483 57.4543 41.0579 178.3407 14 A 3.9488 8.1007 120.2425 54.5606 18.4562 178.4779 15 A 4.4214 7.5102 115.8951 51.2149 19.1948 177.5126 16 G 3.9073 7.8088 105.1328 46.2872 0.0000 174.1868 17 R 4.3926 8.1282 118.1029 54.8784 31.0787 176.5305 18 Y 4.1577 8.4682 119.0936 56.7630 38.6281 174.2067 19 P 4.5810 0.0000 0.0000 63.4202 32.2217 176.0766 20 S 5.0086 8.8966 116.5901 57.1837 65.4229 174.2500 21 T 3.8978 8.5820 111.9513 65.7518 67.1959 177.5186 22 S 4.2098 8.0857 115.7589 61.6060 62.7352 176.0955 23 D 4.3983 8.0247 121.9388 56.9260 40.5901 178.4058 24 L 4.0817 7.9378 119.6258 57.5514 41.4619 179.3837 25 Q 4.0277 8.5625 117.8357 58.8929 28.9214 178.6552 26 S 4.2526 8.2133 116.2694 61.6908 63.0015 176.9641 27 V 3.6442 7.5756 120.9797 65.8425 31.1133 177.8236 28 Q 4.1117 8.0508 119.6679 58.9101 28.9439 178.4039 29 G 3.5861 7.9078 106.6179 47.5286 0.0000 175.2061 30 N 4.3157 8.1031 118.8746 56.6755 38.8098 176.9421 31 I 3.7531 7.4035 119.5591 64.5041 37.2954 178.1820 32 Q 4.1120 8.3205 118.2446 58.2930 28.7509 177.9331 33 R 4.3170 7.9184 117.4959 56.5291 30.5016 177.5823 34 A 3.9746 7.9338 120.6934 55.8713 18.2189 179.2076 35 A 3.9142 8.0736 118.2267 55.5540 18.1540 179.6468 36 A 4.0300 7.9550 118.8421 54.9532 18.5787 179.7507 37 R 4.0137 7.9088 114.4205 59.1491 29.8579 178.9828 38 L 4.1204 8.5252 119.8291 56.9256 41.6031 179.0513 39 E 3.8844 8.0372 119.3300 59.3062 29.6327 178.5360 40 A 3.9713 8.0837 120.0766 55.1520 18.3730 179.2859 41 A 3.9861 8.0515 119.2143 55.1894 18.4664 179.3943 42 E 3.8933 8.3144 117.8166 59.5197 29.7456 179.3011 43 K 3.9909 7.9414 118.2684 59.3660 31.8741 179.2240 44 L 4.1146 8.0312 119.8951 57.9115 42.1137 178.7119 45 G 3.8831 8.3574 105.3552 48.0697 0.0000 175.5557 46 S 4.2937 8.4742 116.9370 60.3948 63.7308 175.6168 47 N 5.0226 8.1131 119.3087 53.0773 39.0364 175.9461 48 H 4.4187 8.0701 117.4212 59.0286 29.2828 176.7005 49 E 4.0281 7.9895 120.7080 58.7505 29.0720 178.8653 50 A 4.0221 7.9909 120.4426 55.5949 18.5372 180.0545 51 V 3.7609 7.5857 109.3432 64.3398 31.5848 179.0842 52 V 3.7936 8.2173 118.3412 65.5250 31.2297 178.0662 53 K 4.2409 8.1170 119.2333 59.5752 32.0218 178.2307 54 E 3.9573 8.0158 118.5738 59.8107 29.0080 179.6065 55 A 4.2308 8.2445 120.4042 54.9973 18.4792 179.8839 56 G 2.8851 8.2010 104.2556 47.9533 0.0000 175.4318 57 D 4.7137 8.6077 123.3169 56.3872 40.7602 179.0230 58 A 3.7592 7.4452 121.0137 55.0886 18.1401 179.3183 59 C 3.8966 7.8342 117.2485 62.5901 31.3728 175.8494 60 F 4.4668 7.6775 117.7969 60.4363 38.6807 177.4730 61 S 4.2566 8.4360 114.2885 60.4708 62.6276 175.5544 62 K 4.1499 7.3933 120.9811 56.7739 33.8060 176.0312 63 Y 5.1141 7.9583 116.8164 55.8998 38.4901 175.8174 64 G 3.7604 8.4647 111.8145 48.1904 0.0000 172.1311 65 Y 4.3446 8.5686 118.0724 59.9452 38.0169 178.3276 66 N 4.0310 7.4328 117.5884 55.8809 39.0850 176.8591 *69 K 5.0089 7.8258 115.4737 56.1438 34.5073 175.6638 70 N 4.5867 8.2948 117.2243 52.3900 39.0412 172.6430 71 P 4.4850 0.0000 0.0000 64.7030 31.4749 176.8506 72 G 3.9192 9.1723 108.8712 45.5161 0.0000 172.6131 73 E 4.6303 7.6579 118.1408 53.9676 32.2173 176.4775 74 A 4.2817 8.4438 121.3598 53.9008 18.7029 177.7688 75 G 4.3781 8.1147 106.2631 44.8246 0.0000 175.3654 76 E 4.5225 8.4327 119.5314 57.5330 30.1480 176.6657 77 N 5.0609 7.6370 115.5462 50.0027 41.6958 174.8534 78 Q 3.8790 8.3723 120.1850 59.0610 29.0592 177.2322 79 E 3.9086 8.2081 119.9752 59.3517 29.7348 178.8725 80 K 3.9724 8.3079 118.2285 59.6963 32.1106 179.4157 81 I 3.9337 7.9412 120.0183 64.5207 37.0744 178.2849 82 N 4.4683 8.5621 117.6766 56.2913 38.2137 177.6175 83 K 4.0829 8.2071 119.9664 59.2848 32.0340 179.0622 84 C 4.0022 8.0466 118.8041 62.8341 31.0644 175.1991 85 Y 3.9687 8.0196 117.9440 61.1074 37.4160 178.7886 86 R 4.0055 8.1783 119.1731 59.1806 30.0940 178.2472 87 D 4.4989 7.9033 119.0892 57.1717 40.9425 178.6957 88 I 4.1390 7.9734 120.4582 64.1674 36.9737 177.9909 89 D 4.4167 8.3076 119.3424 57.5382 41.0917 177.8027 90 H 4.2240 8.3592 116.8057 59.3300 28.6211 177.4077 91 Y 4.3349 8.3534 118.4201 61.4208 37.6956 178.2637 92 M 4.1586 8.3548 119.3749 57.8202 32.1391 178.7690 93 R 3.7074 8.2481 119.7008 59.1142 30.1246 178.4455 94 L 3.9490 7.8907 118.8913 57.7033 41.7207 179.5096 95 I 3.7503 8.0208 120.1668 64.1350 37.1182 177.9298 96 N 4.4666 8.4117 118.1537 56.5808 38.6963 176.6252 97 Y 4.4970 7.7759 118.3092 61.2225 38.1170 177.7768 98 T 4.0072 8.3370 117.0497 66.7747 68.3126 176.5887 99 L 4.0157 7.6434 119.2854 57.7202 41.7451 179.4521 100 V 3.7574 7.5169 116.5990 66.1234 31.6431 178.1403 101 V 3.7435 7.8238 116.5793 63.4166 31.5074 175.7987 102 G 3.9458 8.3130 106.2615 45.6576 0.0000 173.6550 103 G 4.4616 7.6571 104.3785 44.0671 0.0000 174.9761 104 T 4.0210 8.2484 112.9781 62.0876 68.6543 176.4624 105 G 3.6340 7.5446 110.5928 47.7787 0.0000 173.6081 106 P 3.3376 0.0000 0.0000 65.4195 30.9191 178.0500 107 L 4.0814 7.4443 119.6285 57.5686 41.9687 178.6928 108 D 4.3676 8.4373 119.3706 57.5675 40.9786 178.6403 109 E 3.9380 8.3031 119.3772 58.6291 29.2749 178.8047 110 W 4.9340 7.7526 116.6538 57.1668 30.0115 177.3338 111 G 4.1000 8.2042 105.5037 45.7693 0.0000 174.0369 112 I 4.0419 8.0216 120.0523 62.7135 38.0613 175.9396 113 A 4.0400 7.7363 123.8380 53.5702 18.5009 177.7148 114 G 3.8442 8.9906 110.7439 46.1252 0.0000 174.8142 115 A 3.3328 7.8676 122.7651 55.0197 18.3119 179.7813 116 R 3.7759 7.8704 116.5687 59.7842 29.8958 178.3288 117 E 3.9807 7.9109 117.5439 59.3069 29.7684 179.1142 118 V 3.6412 7.4828 117.8164 66.0645 31.5007 177.3372 119 Y 4.6180 8.0276 115.8395 59.9026 37.5377 177.9525 120 R 3.9433 7.6375 119.7091 59.6108 30.0526 178.5390 121 T 3.8848 7.8109 114.0879 66.7615 68.4748 175.3566 122 L 4.2872 7.9420 117.8468 53.9416 42.1959 176.3001 123 N 4.0681 7.5600 116.2803 54.8583 37.4290 174.6995 124 L 4.6029 8.1272 117.2076 52.2770 43.9025 175.5361 125 P 4.4779 0.0000 0.0000 62.1043 32.0852 178.0491 126 S 4.2999 8.8795 119.1384 61.4485 62.6546 176.3640 127 A 3.9984 8.1559 123.0626 55.4284 17.5726 179.4078 128 A 3.9862 7.7328 118.4706 55.3781 18.4096 179.5500 129 Y 3.4662 7.8007 114.8457 60.8858 37.9349 178.1006 130 I 3.6847 8.1027 120.9866 64.1916 37.1987 178.0471 131 A 3.9582 8.2740 121.6844 55.2187 18.1322 179.4337 132 A 4.0809 7.1338 119.8196 54.9520 18.3738 179.9343 133 F 4.5316 7.3548 115.5504 60.1978 38.9929 178.4564 134 V 3.5845 8.2021 118.5141 65.9324 31.5234 177.4163 135 F 3.8729 8.2256 120.3331 61.9598 38.9311 177.0577 136 T 4.0079 8.3158 114.0549 66.7955 68.1865 176.2512 137 R 4.0048 8.2123 120.6683 59.5653 30.0681 177.8387 138 D 4.6320 8.2792 115.4930 55.5020 41.0451 178.3419 139 R 3.8749 7.5179 118.9440 57.4743 30.2430 177.0415 140 L 4.0635 7.0129 119.0975 54.6769 42.3363 175.5133 140A C 4.6831 8.8695 125.5249 57.9141 32.9909 173.5752 140B I 4.3503 8.3890 127.0129 61.0990 36.9166 174.6004 140C P 4.5793 0.0000 0.0000 64.0359 32.6085 177.4093 140D R 3.7724 7.3695 117.6765 59.4722 30.0596 176.9162 140C D 4.7993 7.9057 121.2782 54.9359 41.6084 176.4093 140D M 3.9124 7.4195 116.7765 58.8722 32.0596 176.9162 145 S 4.4038 8.6694 114.4869 57.6388 65.1697 175.0264 146 A 3.9637 8.3634 123.0190 55.6822 17.9560 179.8925 147 Q 4.0660 8.0058 113.7938 58.4471 29.1503 178.0692 148 A 4.5133 7.3054 122.4666 54.0374 18.4248 179.8172 149 G 3.6525 8.1312 104.6836 47.6579 0.0000 176.2451 150 V 3.5134 7.7177 120.6587 65.7251 31.5411 177.5856 *161 E 4.2540 7.9145 116.8272 56.5115 31.5565 177.4268 162 F 4.1469 8.6201 120.4718 61.6733 39.4116 176.4903 163 C 3.9470 8.7224 118.3775 62.5938 31.4555 175.0374 164 T 4.5144 7.8882 114.5080 63.7355 68.7186 176.6319 165 A 3.9630 7.9139 124.1756 55.1775 18.3941 179.7330 166 L 3.8280 7.6445 117.3670 57.7583 41.5847 179.3706 167 D 4.3308 8.0206 118.9786 57.3087 40.6504 178.0052 168 Y 3.8568 8.0215 120.1073 60.6284 38.6041 178.3382 169 L 3.7704 7.4103 118.6371 57.8279 41.7071 179.4926 170 I 3.7826 7.6911 119.6110 64.6954 36.8769 178.3516 171 N 4.3982 8.2503 116.0202 55.9898 38.3363 177.4015 172 S 4.1044 7.3435 115.9442 61.1510 62.9198 175.9596 173 L 4.3030 7.6280 120.6514 55.8279 41.7232 177.5311 174 S 4.5059 7.7142 118.0398 58.4217 63.2823 173.6797 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 1 M 8.25 4.93 0.00 1.73 1.97 0.00 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.19 0.00 2 K 8.40 3.97 0.00 1.85 1.59 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.45 7.81 3 S 8.48 4.81 0.00 3.84 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.50 3.51 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 1.10 0.00 0.00 0.91 0.00 0.00 5 I 7.64 3.83 1.85 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 1.63 0.68 0.90 0.00 0.00 6 T 8.23 3.92 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 1.24 0.00 0.00 7 T 7.98 3.94 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 1.19 0.00 0.00 8 T 7.83 3.83 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 9 I 7.75 3.66 1.85 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 1.51 0.59 0.89 0.00 0.00 10 S 8.25 4.14 0.00 3.92 3.91 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 0.00 0.00 0.00 11 A 7.67 3.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.22 3.95 1.44 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 0.00 0.00 0.00 13 D 8.54 4.24 0.00 2.88 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 14 A 8.10 3.95 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 15 A 7.51 4.42 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 16 G 7.81 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.13 4.39 0.00 1.78 1.91 0.00 3.18 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 18 Y 8.47 4.16 0.00 2.89 2.88 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 19 P 0.00 4.58 0.00 2.21 2.10 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 20 S 8.90 5.01 0.00 3.98 4.03 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 0.00 0.00 0.00 21 T 8.58 3.90 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 1.21 0.00 0.00 22 S 8.09 4.21 0.00 4.09 4.12 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 23 D 8.02 4.40 0.00 2.89 2.76 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 24 L 7.94 4.08 0.00 1.83 1.71 0.93 0.84 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 25 Q 8.56 4.03 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 26 S 8.21 4.25 0.00 4.08 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.58 3.64 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 0.99 0.00 0.00 0.96 0.00 0.00 28 Q 8.05 4.11 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 29 G 7.91 3.59 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 0.00 0.00 0.00 30 N 8.10 4.32 0.00 2.76 3.07 0.00 0.00 7.24 7.97 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 31 I 7.40 3.75 2.03 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 0.65 0.91 0.00 0.00 32 Q 8.32 4.11 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.77 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 33 R 7.92 4.32 0.00 1.95 1.89 0.00 3.17 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 1.56 1.67 0.00 34 A 7.93 3.97 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 35 A 8.07 3.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.96 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.91 4.01 0.00 2.12 2.38 0.00 3.01 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.71 0.00 38 L 8.53 4.12 0.00 1.68 1.78 0.94 0.81 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 39 E 8.04 3.88 0.00 2.20 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 2.33 0.00 40 A 8.08 3.97 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.05 3.99 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 42 E 8.31 3.89 0.00 2.36 2.07 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 2.33 2.52 0.00 43 K 7.94 3.99 0.00 2.01 1.75 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.43 7.81 44 L 8.03 4.11 0.00 1.66 1.89 1.10 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.36 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 46 S 8.47 4.29 0.00 3.98 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 47 N 8.11 5.02 0.00 2.75 2.70 0.00 0.00 7.10 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 8.07 4.42 0.00 3.50 3.90 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.99 4.03 0.00 2.06 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 0.00 2.40 2.40 0.00 50 A 7.99 4.02 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 51 V 7.59 3.76 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 60 F 7.68 4.47 0.00 3.19 2.94 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 61 S 8.44 4.26 0.00 3.71 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.39 4.15 0.00 1.47 1.75 0.00 1.18 0.00 0.00 1.45 0.00 0.00 2.97 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.83 0.21 7.81 63 Y 7.96 5.11 0.00 3.01 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.46 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 65 Y 8.57 4.34 0.00 3.15 3.25 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 0.00 66 N 7.43 4.03 0.00 2.88 2.93 0.00 0.00 6.83 8.39 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 *69 K 7.83 5.01 0.00 1.97 1.86 0.00 1.90 0.00 0.00 1.69 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.32 7.81 70 N 8.29 4.59 0.00 2.80 2.80 0.00 0.00 6.55 8.04 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 71 P 0.00 4.49 0.00 2.18 2.08 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 72 G 9.17 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.66 4.63 0.00 2.24 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 2.23 2.27 0.00 74 A 8.44 4.28 1.22 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 0.00 0.00 75 G 8.11 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 0.00 0.00 0.00 0.00 76 E 8.43 4.52 0.00 2.07 2.32 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 2.30 2.20 0.00 77 N 7.64 5.06 0.00 2.94 2.93 0.00 0.00 5.89 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 78 Q 8.37 3.88 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.61 0.00 87 D 7.90 4.50 0.00 3.07 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 88 I 7.97 4.14 2.06 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.64 1.10 0.00 0.00 89 D 8.31 4.42 0.00 2.89 2.80 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 90 H 8.36 4.22 0.00 3.31 3.19 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.35 4.33 0.00 3.31 2.91 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 0.00 0.00 0.00 92 M 8.35 4.16 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 3.01 0.00 93 R 8.25 3.71 0.00 1.92 1.91 0.00 3.14 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.48 0.00 94 L 7.89 3.95 0.00 2.08 1.77 1.29 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.02 3.75 1.99 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 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 Y 7.80 3.47 0.00 3.03 2.56 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 0.00 130 I 8.10 3.68 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.88 0.96 0.00 0.00 131 A 8.27 3.96 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 0.00 132 A 7.13 4.08 1.01 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 0.00 0.00 0.00 133 F 7.35 4.53 0.00 3.03 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 V 8.20 3.58 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 0.88 0.00 0.00 1.05 0.00 0.00 135 F 8.23 3.87 0.00 3.27 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 T 8.32 4.01 4.51 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 1.39 0.00 0.00 137 R 8.21 4.00 0.00 2.00 2.08 0.00 3.20 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 138 D 8.28 4.63 0.00 2.59 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.52 3.87 0.00 1.79 1.90 0.00 3.87 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.03 0.00 140 L 7.01 4.06 0.00 1.90 1.67 1.07 0.77 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 140A C 8.87 4.68 0.00 3.05 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 140B I 8.39 4.35 1.87 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 1.42 0.70 0.91 0.00 0.00 140C P 0.00 4.58 0.00 2.16 2.06 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 140D R 7.37 3.77 0.00 1.64 2.04 0.00 3.28 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 140C D 7.91 4.80 0.00 2.59 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 140D M 7.42 3.91 0.00 1.89 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 2.61 2.53 0.00 145 S 8.67 4.40 0.00 4.09 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 0.00 146 A 8.36 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.01 4.07 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 148 A 7.31 4.51 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.13 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.72 3.51 2.30 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 1.04 0.00 0.00 0.95 0.00 0.00 *161 E 7.91 4.25 0.00 2.33 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 0.00 2.56 2.28 0.00 162 F 8.62 4.15 0.00 3.03 3.24 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 0.00 163 C 8.72 3.95 0.00 3.30 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 0.00 164 T 7.89 4.51 4.35 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 1.23 0.00 0.00 165 A 7.91 3.96 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 0.00 166 L 7.64 3.83 0.00 1.62 1.56 -0.06 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.02 4.33 0.00 2.87 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 0.00 168 Y 8.02 3.86 0.00 3.17 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 0.00 169 L 7.41 3.77 0.00 1.57 1.13 -0.60 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 170 I 7.69 3.78 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.19 0.93 0.00 0.00 171 N 8.25 4.40 0.00 2.47 2.77 0.00 0.00 7.12 7.15 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 0.00 172 S 7.34 4.10 0.00 3.83 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 L 7.63 4.30 0.00 1.61 1.77 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 174 S 7.71 4.51 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.