NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 L 4.3761 8.0276 120.7710 54.1234 42.8259 177.7881 5 T 3.9771 7.9650 117.0913 63.8596 69.0248 171.7797 6 E 4.2367 8.5265 122.7876 59.1790 29.7925 179.8206 7 E 4.0288 8.1832 118.3001 59.0217 29.8598 178.6317 8 Q 4.0164 8.2184 118.6432 58.8557 28.8122 178.5142 9 I 4.1935 8.9992 114.9874 64.1737 37.4636 177.7320 10 A 4.0210 7.9621 121.9888 55.3201 18.2333 179.5714 11 E 3.9910 8.0029 116.8139 59.4435 29.4795 179.6090 12 F 4.7248 8.1045 117.7165 60.3819 38.9756 177.7418 13 K 3.9677 8.8433 119.9203 59.3685 31.7260 178.7895 14 E 3.9798 8.1323 117.8935 59.3619 29.6012 178.8498 15 A 4.3238 8.1300 120.3109 55.1605 18.5614 179.3321 16 F 3.3562 8.4293 119.1169 61.5747 39.2477 177.5134 17 S 4.1743 8.2601 113.3445 61.5081 62.6041 176.1959 18 L 3.9593 7.5400 122.3127 57.8398 41.7848 178.5548 19 F 4.3628 7.6785 116.3701 59.2168 40.8459 176.7766 20 D 4.5014 7.6200 119.2169 52.6489 37.6341 176.2159 21 K 3.8182 8.0067 122.5638 58.7678 32.6427 177.6982 22 D 4.6528 8.2937 114.9389 52.2117 39.6420 176.3315 23 G 3.9852 7.9408 107.5624 47.0241 0.0000 174.4232 24 D 4.5074 8.1837 117.7379 53.2709 39.8375 177.1397 25 G 4.1816 10.1090 109.8583 45.3599 0.0000 172.7640 26 T 5.2235 7.8501 107.8259 60.1293 72.3509 173.1781 27 I 4.5883 9.2294 124.5302 60.1467 39.7658 175.5677 28 T 4.9119 8.3254 123.9276 61.8875 71.2755 175.9068 29 T 3.8668 8.5160 112.6427 65.2877 68.4973 176.5917 30 K 4.0285 7.9675 120.7500 59.0312 32.1483 179.1584 31 E 3.9527 8.0687 118.4820 59.3404 29.5986 178.7202 32 L 4.2579 8.1740 120.5721 58.1741 42.0663 179.2338 33 G 3.6511 8.1701 105.5411 48.2699 0.0000 175.6356 34 T 3.8977 7.9964 116.0541 64.4353 67.0650 176.5056 35 V 3.4797 7.7281 119.6083 66.1977 31.8055 177.5470 36 M 4.2418 8.1107 118.3414 58.6995 31.8780 179.0587 37 R 4.6722 8.4171 119.5157 58.5488 29.9769 178.8108 38 S 4.3537 7.7520 112.3776 59.9300 63.3660 175.2822 39 L 4.4876 7.9187 121.6999 54.3585 41.7895 177.0273 40 G 3.8832 7.8832 106.9664 45.2493 0.0000 172.8578 41 Q 4.5725 7.9081 120.2601 54.0667 31.1195 174.2566 42 N 5.4579 8.4373 123.4300 50.4064 38.5343 172.4008 43 P 4.5746 0.0000 0.0000 62.4386 32.6386 177.6002 44 T 4.3960 8.7216 110.9365 60.5989 71.4704 175.4617 45 E 3.8728 8.6491 121.2831 59.3749 29.6300 178.5705 46 A 3.9925 7.9878 120.2259 55.4317 18.5083 179.3746 47 E 3.9667 8.0368 116.6906 59.4189 29.6109 179.5714 48 L 4.0070 8.1207 119.3536 57.7965 41.6044 179.3552 49 Q 3.9841 8.4808 119.9135 59.2667 29.0001 177.9579 50 D 4.3689 8.0658 119.7715 57.5345 40.5612 178.6466 51 M 4.0407 8.0004 119.1172 58.5675 31.9310 178.9675 52 I 3.8389 7.6378 119.3736 64.2664 37.0381 178.0182 53 N 4.2692 8.2442 116.8241 56.6023 38.5248 176.6399 54 E 4.0196 8.0200 118.9657 58.8199 29.7030 178.3737 55 V 4.3264 7.0608 110.4813 61.1954 33.4879 176.4504 56 D 4.5654 8.2930 118.7337 53.0402 39.9413 176.0898 57 A 4.0660 8.3938 129.3537 54.3771 18.7815 178.0983 58 D 4.6145 8.0831 112.4677 52.4452 39.8474 176.5168 59 G 4.0412 7.5227 106.2565 46.7885 0.0000 174.2694 60 N 4.4744 8.1739 115.3640 52.9621 37.7719 175.9913 61 G 3.9970 9.5735 108.7142 45.3066 0.0000 172.8506 62 T 4.8521 7.7074 107.7306 60.0382 72.6216 172.8290 63 I 5.4093 8.9477 122.4012 58.7195 40.4990 174.6722 64 D 5.3601 8.7195 128.1789 51.2150 42.2381 177.1120 65 F 3.6249 8.6888 119.4712 61.0062 39.1665 174.8149 66 P 3.9360 0.0000 0.0000 65.6881 31.2126 178.4548 67 E 3.8768 8.4126 117.1620 59.2455 29.3355 179.1093 68 F 4.0592 8.1793 120.7200 61.1079 39.4288 176.6475 69 L 3.2428 7.8560 120.4742 58.2775 41.8650 179.0105 70 T 3.6280 7.4786 109.4796 65.0280 68.4386 175.9559 71 M 3.8866 7.6975 120.5933 58.2887 32.2252 177.7444 72 M 3.7213 7.8692 118.5661 58.6743 32.2960 177.7230 73 A 3.9913 7.7953 120.8612 55.2754 18.4391 179.4999 74 R 3.8476 7.8632 115.1410 59.3908 30.0092 179.3402 75 K 3.9384 8.0717 118.5984 59.7599 32.5115 178.3231 76 M 4.1456 8.1869 118.9815 58.3827 31.7911 178.5766 77 K 3.9305 8.1808 118.1711 60.1322 32.4664 178.9587 78 D 4.3922 7.9092 118.8333 57.6584 40.4889 179.0076 79 T 3.9970 8.0229 116.1789 66.4366 68.1346 176.5548 80 D 4.4139 7.9954 120.0252 57.1979 41.2440 178.3749 81 S 4.2451 7.8289 115.7757 61.4811 62.8502 175.9069 82 E 4.0013 8.1585 121.5821 59.9264 29.4985 179.1380 83 E 4.0610 8.0293 117.5413 58.8320 29.4469 179.3010 84 E 4.0422 8.1473 119.2687 59.5247 29.7540 179.2479 85 I 4.0381 7.8360 119.3838 64.5532 37.2523 178.6079 86 R 4.0388 8.4967 119.1435 59.0300 29.6689 178.9958 87 E 3.9586 8.1872 118.0409 59.5606 29.4429 179.3410 88 A 4.2403 8.2740 120.4965 54.9576 18.2983 179.4725 89 F 3.4423 8.1893 119.4783 61.1518 39.1964 177.3857 90 R 3.8684 7.8155 117.4647 59.2706 29.9118 178.5944 91 V 3.7226 7.4386 118.2888 64.6745 31.4993 178.2373 92 F 4.1008 7.6777 117.6751 59.5168 40.3381 176.7825 93 D 4.6453 7.8085 119.7139 52.4621 37.4609 176.0514 94 K 3.7076 7.9652 123.6483 58.5562 32.7088 176.7228 95 D 4.7164 8.0917 115.4565 52.1033 39.8328 176.7245 96 G 3.9525 7.8060 107.6252 47.0849 0.0000 174.0765 97 N 4.5974 8.3853 114.0374 52.6939 38.7176 176.2942 98 G 3.9431 9.9636 107.8308 45.1787 0.0000 172.7163 99 Y 5.2701 7.6738 115.6578 56.5212 42.6129 174.6543 100 I 4.8517 9.3642 125.0244 59.7855 38.6389 176.1360 101 S 4.9018 8.8534 122.1213 57.2177 65.2075 175.3414 102 A 3.9649 8.7163 120.8454 55.3634 18.0884 179.5221 103 A 3.9897 8.0187 118.7785 55.3464 18.5487 179.6350 104 E 3.8786 8.0321 116.8152 59.5169 29.6350 179.2159 105 L 4.2087 8.1957 120.5475 58.3595 42.1953 179.0140 106 R 3.9486 8.5042 119.0612 59.4929 30.0783 178.0770 107 H 4.1291 8.2721 118.0969 59.4896 30.1103 177.7769 108 V 3.4920 7.7691 114.2112 64.4491 31.1383 178.2583 109 M 4.0932 8.1513 118.4087 58.7160 32.0593 178.4158 110 T 4.0716 7.6610 110.9684 64.3991 68.7632 176.3954 111 N 4.3421 7.7664 117.6687 55.3086 38.5898 176.3997 112 L 4.3776 7.4646 117.9781 54.7557 42.1051 177.4876 113 G 3.8569 8.0960 107.5863 45.0394 0.0000 173.1035 114 E 4.3868 8.4934 120.2009 54.3388 30.2471 175.8385 115 K 4.2183 8.4941 125.0521 55.1459 31.5504 176.2912 116 L 4.8596 8.0678 123.7328 53.1807 43.9160 177.5192 117 T 4.3716 8.6776 112.9131 60.7838 71.3658 175.5636 118 D 4.3156 8.4793 119.8443 57.4540 41.2915 177.6681 119 E 3.9292 8.1309 119.3310 59.3666 29.5632 178.5249 120 E 3.9935 8.1265 118.3498 59.3889 29.5229 179.5523 121 V 3.6414 7.8536 118.3582 66.0434 31.5370 177.7949 122 D 4.3862 8.4710 119.1018 57.3923 40.7690 178.4469 123 E 3.9402 8.1682 119.5487 59.4071 29.3875 178.8247 124 M 4.0966 7.5573 118.0695 58.3039 32.3135 178.5516 125 I 3.8785 7.8955 119.8649 64.5151 36.9252 178.4344 126 R 3.9170 8.1175 119.0306 59.5938 29.7268 178.6532 127 E 3.9302 7.9920 116.8636 58.4709 29.6596 177.7074 128 A 4.7702 7.6374 118.0965 51.1879 20.6349 176.7542 129 D 4.6718 7.5218 116.4898 53.7860 39.7360 175.6077 130 I 3.9608 8.3242 127.1405 63.1476 37.6327 176.8557 131 D 4.5956 8.3477 117.4212 52.1738 39.9747 176.8874 132 G 3.9598 7.6880 107.5073 47.3085 0.0000 173.3692 133 D 4.6341 8.2161 113.9715 52.6034 40.8045 177.9440 134 G 3.9156 8.8690 108.4049 45.7009 0.0000 172.7419 135 Q 4.8751 8.0077 116.7381 54.0323 33.3069 174.8372 136 V 4.8557 8.7057 113.7415 59.9034 34.3299 176.1836 137 N 5.1353 9.9072 124.0592 51.9190 39.7356 175.6546 138 Y 3.4806 8.3797 118.4242 60.5086 38.6127 177.1436 139 E 3.6511 8.1154 119.6703 59.5772 29.7270 178.6392 140 E 3.9856 8.1453 117.8082 59.1833 29.4296 179.0736 141 F 4.1080 8.1889 120.8664 61.3894 39.4708 177.7016 142 V 3.3869 7.8892 112.4911 64.2483 31.2058 178.4642 143 Q 3.8907 7.8427 117.8833 59.3225 28.3555 178.8130 144 M 3.9876 7.6004 117.8029 59.0774 32.2733 177.5459 145 M 3.8998 7.7710 119.2757 58.0104 32.0781 178.4361 146 T 3.8914 8.2333 111.2846 64.9865 69.3040 174.1163 147 A 4.1233 7.5554 128.4328 51.4808 18.5610 176.9765 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 *4 L 8.03 4.38 0.00 1.59 1.68 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.97 3.98 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 6 E 8.53 4.24 0.00 2.08 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 2.41 2.43 0.00 7 E 8.18 4.03 0.00 2.09 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 2.37 2.40 0.00 8 Q 8.22 4.02 0.00 2.41 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 9 I 9.00 4.19 2.15 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 1.79 1.22 1.11 0.00 0.00 10 A 7.96 4.02 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 11 E 8.00 3.99 0.00 1.88 1.87 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 2.29 2.53 0.00 12 F 8.10 4.72 0.00 3.57 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.84 3.97 0.00 1.97 2.02 0.00 1.54 0.00 0.00 1.48 0.00 0.00 2.46 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.30 1.03 7.81 14 E 8.13 3.98 0.00 2.26 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 2.37 2.36 0.00 15 A 8.13 4.32 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.43 3.36 0.00 2.96 3.15 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 0.00 17 S 8.26 4.17 0.00 4.02 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 18 L 7.54 3.96 0.00 1.46 1.80 0.74 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.68 4.36 0.00 2.84 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 20 D 7.62 4.50 0.00 2.11 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 0.00 0.00 0.00 21 K 8.01 3.82 0.00 1.76 1.85 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.37 7.81 22 D 8.29 4.65 0.00 2.80 2.75 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 0.00 0.00 0.00 23 G 7.94 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 0.00 0.00 0.00 24 D 8.18 4.51 0.00 2.83 2.81 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 25 G 10.11 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.85 5.22 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 1.29 0.00 0.00 27 I 9.23 4.59 1.80 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.23 0.87 0.00 0.00 28 T 8.33 4.91 4.43 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 1.28 0.00 0.00 29 T 8.52 3.87 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 1.22 0.00 0.00 30 K 7.97 4.03 0.00 1.87 1.90 0.00 1.56 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.60 7.81 31 E 8.07 3.95 0.00 2.15 2.25 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 2.39 2.36 0.00 32 L 8.17 4.26 0.00 1.80 1.86 1.02 0.93 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 33 G 8.17 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 34 T 8.00 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 1.28 0.00 0.00 35 V 7.73 3.48 2.28 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 0.58 0.00 0.00 0.71 0.00 0.00 36 M 8.11 4.24 0.00 2.12 2.14 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 2.68 3.08 0.00 37 R 8.42 4.67 0.00 1.86 1.98 0.00 3.13 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 38 S 7.75 4.35 0.00 3.94 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 39 L 7.92 4.49 0.00 1.85 1.75 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.88 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 41 Q 7.91 4.57 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 42 N 8.44 5.46 0.00 2.70 2.72 0.00 0.00 7.16 8.02 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 43 P 0.00 4.57 0.00 2.19 2.07 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 44 T 8.72 4.40 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 1.25 0.00 0.00 45 E 8.65 3.87 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 2.38 2.45 0.00 46 A 7.99 3.99 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 47 E 8.04 3.97 0.00 2.15 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 2.33 2.35 0.00 48 L 8.12 4.01 0.00 2.04 1.73 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.48 3.98 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 50 D 8.07 4.37 0.00 2.90 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 51 M 8.00 4.04 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.59 0.00 52 I 7.64 3.84 1.99 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 1.51 0.83 0.96 0.00 0.00 53 N 8.24 4.27 0.00 2.85 2.89 0.00 0.00 7.01 7.23 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 54 E 8.02 4.02 0.00 2.07 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 0.00 2.30 2.34 0.00 55 V 7.06 4.33 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 0.77 0.00 0.00 1.00 0.00 0.00 56 D 8.29 4.57 0.00 2.82 2.62 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 0.00 0.00 0.00 0.00 57 A 8.39 4.07 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.08 4.61 0.00 2.79 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 59 G 7.52 4.04 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 0.00 0.00 0.00 60 N 8.17 4.47 0.00 2.84 2.95 0.00 0.00 7.04 8.16 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 61 G 9.57 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.71 4.85 4.39 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 0.00 0.00 0.00 1.23 0.00 0.00 63 I 8.95 5.41 1.92 0.00 0.00 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 1.06 1.95 0.98 0.00 0.00 64 D 8.72 5.36 0.00 2.89 2.87 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 65 F 8.69 3.62 0.00 2.29 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 66 P 0.00 3.94 0.00 2.13 2.02 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 67 E 8.41 3.88 0.00 2.29 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 2.37 0.00 68 F 8.18 4.06 0.00 3.24 3.22 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 69 L 7.86 3.24 0.00 1.04 1.39 0.58 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.48 3.63 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 1.18 0.00 0.00 71 M 7.70 3.89 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 72 M 7.87 3.72 0.00 1.65 1.38 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 2.88 2.82 0.00 73 A 7.80 3.99 1.23 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 0.00 0.00 0.00 74 R 7.86 3.85 0.00 1.81 1.97 0.00 3.09 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 75 K 8.07 3.94 0.00 1.76 1.96 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.52 7.81 76 M 8.19 4.15 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 3.13 0.00 77 K 8.18 3.93 0.00 1.90 1.91 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.67 7.81 78 D 7.91 4.39 0.00 2.88 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 79 T 8.02 4.00 4.40 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 1.23 0.00 0.00 80 D 8.00 4.41 0.00 2.87 2.75 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 0.00 0.00 0.00 81 S 7.83 4.25 0.00 4.04 3.93 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 0.00 0.00 0.00 0.00 82 E 8.16 4.00 0.00 2.16 2.16 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 2.37 2.48 0.00 83 E 8.03 4.06 0.00 2.07 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 2.33 2.36 0.00 84 E 8.15 4.04 0.00 2.27 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 2.37 2.66 0.00 85 I 7.84 4.04 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.41 1.25 0.00 0.00 86 R 8.50 4.04 0.00 1.94 1.90 0.00 3.03 0.00 0.00 2.99 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.63 0.00 87 E 8.19 3.96 0.00 2.39 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 2.37 2.68 0.00 88 A 8.27 4.24 1.72 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 0.00 0.00 89 F 8.19 3.44 0.00 3.03 3.13 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 0.00 0.00 0.00 90 R 7.82 3.87 0.00 2.10 2.00 0.00 3.32 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 91 V 7.44 3.72 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 0.94 0.00 0.00 0.78 0.00 0.00 92 F 7.68 4.10 0.00 2.73 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 93 D 7.81 4.65 0.00 2.05 2.25 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 94 K 7.97 3.71 0.00 1.71 1.82 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.42 7.81 95 D 8.09 4.72 0.00 2.82 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 96 G 7.81 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.39 4.60 0.00 2.94 3.05 0.00 0.00 6.61 7.00 0.00 0.00 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 G 9.96 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 0.00 0.00 0.00 99 Y 7.67 5.27 0.00 2.75 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 0.00 100 I 9.36 4.85 1.90 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.18 0.97 0.00 0.00 101 S 8.85 4.90 0.00 3.91 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 0.00 102 A 8.72 3.96 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 0.00 103 A 8.02 3.99 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 0.00 104 E 8.03 3.88 0.00 2.18 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 2.32 2.32 0.00 105 L 8.20 4.21 0.00 1.89 1.96 1.20 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.50 3.95 0.00 2.02 1.94 0.00 3.36 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 107 H 8.27 4.13 0.00 3.37 3.39 0.00 5.84 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 0.00 108 V 7.77 3.49 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.53 0.00 0.00 109 M 8.15 4.09 0.00 2.17 2.36 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 110 T 7.66 4.07 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 1.30 0.00 0.00 111 N 7.77 4.34 0.00 2.77 2.84 0.00 0.00 7.06 7.55 0.00 0.00 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 L 7.46 4.38 0.00 1.87 1.71 0.90 0.80 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 0.00 113 G 8.10 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.49 4.39 0.00 2.11 1.89 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 2.24 2.40 0.00 115 K 8.49 4.22 0.00 1.74 1.79 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.44 7.81 116 L 8.07 4.86 0.00 1.62 1.59 0.94 0.98 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 0.00 117 T 8.68 4.37 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 1.22 0.00 0.00 118 D 8.48 4.32 0.00 2.82 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 0.00 119 E 8.13 3.93 0.00 2.08 1.93 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 0.00 2.38 2.41 0.00 120 E 8.13 3.99 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 2.34 2.32 0.00 121 V 7.85 3.64 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 1.13 0.00 0.00 0.99 0.00 0.00 122 D 8.47 4.39 0.00 2.92 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 0.00 123 E 8.17 3.94 0.00 2.26 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 2.31 2.35 0.00 124 M 7.56 4.10 0.00 2.00 2.27 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.60 0.00 125 I 7.90 3.88 2.02 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 1.80 0.85 1.00 0.00 0.00 126 R 8.12 3.92 0.00 1.99 2.00 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 127 E 7.99 3.93 0.00 2.20 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 2.31 2.33 0.00 128 A 7.64 4.77 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 0.00 129 D 7.52 4.67 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 3.96 1.88 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 1.47 0.84 0.91 0.00 0.00 131 D 8.35 4.60 0.00 2.82 2.78 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 0.00 132 G 7.69 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.22 4.63 0.00 2.68 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 0.00 134 G 8.87 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 0.00 135 Q 8.01 4.88 0.00 1.85 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 136 V 8.71 4.86 2.26 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 0.83 0.00 0.00 1.16 0.00 0.00 137 N 9.91 5.14 0.00 2.80 3.31 0.00 0.00 6.19 7.59 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 0.00 138 Y 8.38 3.48 0.00 1.92 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 0.00 139 E 8.12 3.65 0.00 2.03 1.92 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 2.34 2.34 0.00 140 E 8.15 3.99 0.00 2.30 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 2.53 2.40 0.00 141 F 8.19 4.11 0.00 3.40 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 3.39 1.76 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 -0.22 0.00 0.00 0.72 0.00 0.00 143 Q 7.84 3.89 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 144 M 7.60 3.99 0.00 1.77 2.10 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 145 M 7.77 3.90 0.00 1.80 1.88 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 1.49 0.00 146 T 8.23 3.89 4.19 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 0.00 0.00 1.15 0.00 0.00 147 A 7.56 4.12 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 * Residues marked with a * may have inaccurate shift predictions.