NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.2167 8.4293 116.7533 56.0225 31.4538 174.6658 8 Y 4.8002 7.1585 118.3607 54.8345 41.1157 173.2835 9 D 4.3715 9.7932 123.0160 56.9051 42.5896 177.8976 10 Y 4.9283 7.8019 113.7342 56.0664 42.8524 174.0817 11 L 4.6593 8.6813 123.8496 53.3678 44.2714 175.3113 12 F 5.2817 8.6354 125.8405 55.6914 41.4461 174.7756 13 K 4.7982 8.8173 126.1003 55.8454 33.5260 175.3779 14 V 4.8985 9.1651 127.7746 61.2626 34.5233 174.5089 15 V 4.6602 8.6748 120.8881 59.7909 34.2050 174.6311 16 L 5.1527 8.5542 124.4344 53.4268 43.0275 175.9930 17 I 4.3211 9.2227 116.5065 59.0272 41.9550 173.5645 18 G 3.6619 6.1174 106.1212 43.1368 0.0000 173.1882 19 D 5.0573 8.6041 120.3657 54.1972 41.4740 176.7762 20 S 4.1087 8.6395 117.6764 60.6454 63.1668 175.2959 21 G 4.0319 8.9426 112.7192 45.4298 0.0000 174.6764 22 V 3.6986 7.2116 112.4773 62.6131 31.8921 177.0864 23 G 4.3412 8.5102 108.3831 46.2737 0.0000 175.5504 24 K 3.8686 8.5946 120.9079 59.7548 31.9285 179.2541 25 S 4.4349 7.9273 115.7723 61.0522 62.6995 176.2967 26 N 4.7895 8.0198 120.1034 55.2817 38.4118 177.3188 27 L 4.1311 8.3023 121.0004 57.5941 41.7204 179.1896 28 L 4.0833 8.1278 120.5134 58.3378 42.2489 179.2517 29 S 4.1283 8.4574 114.6237 61.3135 62.9208 176.4391 30 R 4.0563 8.4305 122.6002 59.2528 29.7003 178.3144 31 F 4.2838 8.2470 119.4480 61.0546 39.4271 176.3833 32 T 3.9554 7.7897 107.1883 62.0875 69.5229 175.3569 33 R 4.3890 7.6914 117.0729 54.3984 32.1749 174.3149 34 N 4.3194 7.8919 115.0299 54.8301 37.9162 173.3671 35 E 4.8811 7.9243 113.3618 54.4197 33.3984 175.5382 36 F 4.7385 8.4857 122.2022 56.5859 42.9109 173.4298 37 N 4.6583 7.3514 124.4158 51.2378 40.4538 174.4590 38 L 3.9380 8.6031 128.5410 57.5817 42.3524 177.3009 39 E 4.5833 7.8030 116.0957 55.6903 29.7273 175.9505 40 S 4.1128 7.5174 113.7180 58.4929 63.3157 173.7608 41 K 4.5616 8.1017 121.7939 53.8442 34.6799 175.9927 42 S 4.1427 8.4575 114.4429 58.9260 62.9832 174.5412 43 T 3.9755 8.3691 120.6877 63.9317 68.7647 174.4076 44 I 4.0027 8.6617 128.0013 63.7391 38.4278 176.2276 45 G 4.2245 7.6621 109.4275 45.3402 0.0000 173.1622 46 V 4.9129 8.3548 123.6039 61.1721 34.6707 174.5206 47 E 4.8812 9.2651 124.4904 55.3337 33.6429 173.3945 48 F 5.2557 7.6566 112.9874 55.5789 40.9225 173.2464 49 A 4.7026 8.8814 120.4901 50.6715 22.9005 175.0647 50 T 5.7067 8.1994 108.0992 59.2977 72.1250 173.4311 51 R 4.5479 8.1598 119.5111 54.8406 35.0684 173.9421 52 S 5.1910 8.4920 117.7035 57.2696 64.5756 173.7579 53 I 4.6890 8.8728 125.5401 59.4579 41.0514 174.6382 54 Q 4.7105 8.7946 125.9984 55.4982 29.6136 175.7512 55 V 4.1758 8.8055 123.8924 62.0367 34.0184 175.0759 56 D 4.3563 9.9059 128.8425 55.5141 38.3274 174.8030 57 G 3.9484 8.3450 103.9276 45.4809 0.0000 173.6007 58 K 4.5747 7.7691 119.0224 54.5604 34.9843 175.1891 59 T 4.8051 9.2416 118.9243 62.7867 69.9191 173.8265 60 I 4.6191 8.8255 128.6002 59.3016 39.7942 175.0785 61 K 4.6536 8.6767 129.4129 55.3410 32.9425 175.4539 62 A 4.5654 9.1322 131.8801 51.5567 19.8376 175.7994 63 Q 4.7245 9.3133 125.6460 54.9435 30.8471 174.2330 64 I 5.0478 8.7568 128.8742 59.7239 39.0591 175.3813 65 W 5.2817 9.5020 128.0172 55.7502 31.0465 175.1022 66 D 5.2844 9.4089 121.1222 53.6587 44.5241 173.8705 67 T 4.5588 8.3664 117.4729 60.7197 70.5310 172.7341 68 A 4.0797 8.6068 127.9512 52.4829 19.3214 178.3969 69 G 4.5503 8.2550 110.6941 44.3566 0.0000 174.3942 70 L 4.3451 7.5894 117.8999 54.4226 42.9100 178.1562 71 E 3.9015 8.7369 122.3987 58.7102 29.8899 177.9705 72 R 3.9894 7.9459 116.3468 56.5302 29.8773 176.4976 *73 Y 4.0946 8.3076 118.1096 57.2005 37.4392 176.8298 74 R 4.7691 8.0600 122.5157 53.0360 33.8318 176.6780 75 A 4.0229 8.6790 123.5533 54.7892 18.7283 178.6888 76 I 4.1929 7.6132 107.7144 62.0534 39.0480 177.9061 77 T 3.8712 7.7962 119.5374 66.9073 68.3794 175.9951 78 S 4.1826 8.1418 114.0357 61.6080 62.3197 175.9183 79 A 3.9780 7.9704 121.3849 55.0703 18.1678 178.4731 80 Y 3.8498 7.8825 117.4232 61.1427 39.2553 177.7607 81 Y 4.2993 7.8734 116.2487 58.5739 37.9136 175.5339 82 R 4.0275 7.0773 120.6778 57.7448 30.1923 176.7541 83 G 3.8285 8.9318 113.1690 45.2529 0.0000 172.8838 84 A 4.1878 7.7721 123.6609 52.3372 18.7649 177.8668 85 V 4.2059 8.7924 116.2281 61.4943 33.5358 176.0023 86 G 4.5429 7.8533 106.6607 44.4195 0.0000 171.4401 87 A 5.2004 9.2367 122.8896 49.9669 22.7659 175.1448 88 L 4.5855 8.9433 123.6297 53.5450 43.2774 176.0017 89 L 4.7087 8.9347 128.7055 53.8006 42.8645 174.9814 90 V 4.8586 8.6332 127.9005 61.4356 33.6939 174.1681 91 Y 4.9597 8.6899 124.7371 55.3238 42.3987 173.3110 92 D 5.1877 9.0420 119.6274 52.3789 42.2552 177.1780 93 I 3.8086 8.6341 120.7821 63.3939 37.6539 177.1738 94 A 4.5936 8.2908 121.6434 51.0753 19.1880 176.8841 95 K 4.4495 8.2832 118.0448 53.8437 33.5878 176.0325 96 H 4.1926 8.8776 127.0207 59.0273 29.7746 176.4201 97 L 4.1157 8.0807 122.1751 58.3862 41.7017 178.9340 98 T 4.6493 7.6772 109.7741 64.3565 68.6570 175.6181 99 Y 3.9255 7.8563 122.0723 60.2890 38.6875 176.9465 100 E 3.7425 8.1378 119.0104 59.2529 29.8439 178.2818 101 N 4.6076 8.1468 114.2225 53.7017 38.7213 177.0894 102 V 3.8436 7.5459 124.2126 66.7744 31.5351 178.1558 103 E 4.0777 8.0563 117.4641 61.3215 29.5061 180.8744 104 R 4.0103 7.8880 119.1534 59.0888 30.1605 178.5704 105 W 4.3439 8.0679 118.4213 59.5513 29.0499 178.5737 106 L 4.1169 8.3962 119.3421 57.6180 40.9949 179.4282 107 K 3.9051 8.1512 119.6519 59.3512 32.1634 178.2642 108 E 3.9173 8.1736 119.6290 59.4871 29.4486 178.8992 109 L 3.6986 8.0202 118.7315 57.7824 41.4502 179.7040 110 R 3.8443 7.7269 116.9102 59.4260 30.0773 178.5548 111 D 4.4103 8.0395 117.5709 56.3766 40.9711 176.9026 112 H 4.7319 8.0375 112.9680 54.7664 30.8973 173.0341 113 A 4.7074 7.4546 121.3201 49.3297 21.7410 175.4807 114 D 4.4279 8.3562 118.9418 54.2076 41.7044 177.5977 115 S 4.1203 8.7155 120.4449 61.0120 63.0051 174.7086 116 N 4.7338 8.1514 116.3533 52.6039 38.4593 174.5544 117 I 3.7825 7.4875 119.7344 61.6652 38.7046 175.5991 118 V 3.8930 8.6590 129.8396 62.6983 32.8629 174.5087 119 I 4.9836 8.4070 128.1637 59.6767 40.2320 173.8311 120 M 5.0277 8.7069 126.8428 52.6607 34.7928 174.2799 121 L 4.7717 9.1919 129.8190 54.8908 43.6954 175.4374 122 V 4.3631 9.1614 127.2834 61.0629 34.1142 174.7922 123 G 3.0206 8.3066 116.9162 44.8125 0.0000 172.3893 124 N 5.0514 8.3821 126.6169 51.7595 41.3850 174.2024 125 K 3.8412 8.7374 116.7302 57.8098 28.7914 178.6788 126 S 4.3442 8.2714 115.3764 60.6626 63.4914 175.6590 127 D 4.4844 8.0786 120.4045 55.2361 39.5168 176.9576 128 L 4.6667 8.1175 121.1727 54.3920 42.2700 178.6292 129 R 3.9734 7.8195 119.2932 59.4906 29.2624 178.4387 130 H 4.2882 8.3746 112.8264 57.5826 28.7108 175.8391 131 L 4.5144 7.8405 119.7184 54.0238 41.7598 175.8404 132 R 4.0366 7.5936 119.3618 57.0898 30.1273 176.0840 133 A 4.5492 9.2135 126.4324 51.5148 20.8444 175.9572 134 V 4.0906 7.5299 114.6874 59.8382 32.7284 173.8495 135 P 4.3776 0.0000 0.0000 62.6264 32.9623 177.4683 136 T 3.9775 8.5143 119.1560 66.7694 68.5534 176.5669 137 D 4.3050 8.0480 120.6113 56.4770 39.3086 178.2049 138 E 3.8714 8.0278 119.9357 58.9139 29.7180 178.5137 139 A 4.1234 7.5221 121.6604 54.4902 18.4270 179.5700 140 R 3.1193 7.6580 116.7541 59.3149 30.1514 179.1248 141 A 3.9713 7.8744 120.2142 55.0199 18.2824 179.4296 142 F 3.9642 8.3927 118.9530 61.2387 39.3984 177.0630 143 A 4.0212 8.2919 120.4696 55.3892 18.1449 179.2204 144 E 3.8273 8.1817 117.6340 59.3088 29.4709 178.8606 145 K 3.8906 7.8188 118.7231 58.7473 32.1999 177.4834 146 N 4.6925 7.2916 113.6932 51.8656 38.8872 174.8102 147 G 3.8582 7.7530 107.8535 46.8326 0.0000 173.7847 148 L 5.0848 7.9205 118.7095 52.3752 44.0192 177.1607 149 S 4.6511 8.5586 117.2763 58.2557 65.0381 172.5075 150 F 5.4760 8.3678 120.9068 56.6460 42.3761 172.9840 151 I 4.0854 7.1263 123.1669 59.7967 41.4618 172.4564 152 E 5.0062 8.2965 126.4343 54.7801 31.2345 175.3062 153 T 4.8573 8.6650 113.4114 59.8620 73.2305 172.8087 154 S 4.6267 8.7120 115.8087 56.4348 64.5918 174.6346 155 A 4.1009 8.9092 131.1239 55.0578 18.7184 178.3840 156 L 2.4400 7.6904 117.1402 57.5004 42.0882 177.3344 157 D 4.5732 7.7844 114.2805 52.7966 39.9621 177.2350 158 S 4.2960 8.1014 116.8646 58.8902 62.4221 169.2407 159 T 3.9360 8.0571 117.8477 65.2397 68.5648 174.4878 160 N 4.3156 9.0736 121.7581 54.0310 36.8061 176.3350 161 V 3.5811 7.8007 119.0434 66.1383 31.5828 177.5380 162 E 4.1357 8.3189 118.3589 59.3793 29.4736 178.4464 163 A 3.9982 8.0579 120.1064 54.8643 18.4724 179.1536 164 A 3.7704 8.3834 119.7140 55.4273 18.4651 179.9720 165 F 3.6858 7.7536 115.7342 60.4944 38.9037 177.4674 166 Q 4.0619 8.4389 119.6402 59.7511 28.7120 178.9971 167 T 3.8608 8.0734 116.4489 66.7606 68.5054 176.6062 168 I 3.6467 7.6340 120.4998 64.0638 37.9371 177.9004 169 L 4.1761 8.2103 119.9516 57.9935 41.4209 179.6431 170 T 4.0056 8.1596 115.7766 66.7381 68.2091 176.5471 171 E 3.9687 8.1409 119.2223 59.4116 29.7737 179.1798 172 I 3.6066 7.8460 119.8718 64.5078 36.8889 177.7927 173 Y 4.1913 7.9137 118.9450 60.7493 38.7484 177.8368 174 R 3.9996 7.7855 116.4301 57.2121 30.4769 176.3766 175 I 3.8000 7.2020 123.5651 61.0883 37.9610 175.1747 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 7 E 8.43 4.22 0.00 2.01 1.81 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 2.13 1.88 0.00 8 Y 7.16 4.80 0.00 3.14 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 9 D 9.79 4.37 0.00 2.64 2.40 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 10 Y 7.80 4.93 0.00 2.45 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 11 L 8.68 4.66 0.00 1.09 1.54 0.64 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.64 5.28 0.00 3.08 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 13 K 8.82 4.80 0.00 1.87 1.83 0.00 1.24 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.35 7.81 14 V 9.17 4.90 2.27 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 1.02 0.00 0.00 1.05 0.00 0.00 15 V 8.67 4.66 1.74 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 0.01 0.00 0.00 1.04 0.00 0.00 16 L 8.55 5.15 0.00 1.74 1.63 1.18 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 17 I 9.22 4.32 1.40 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.11 1.17 0.00 0.00 18 G 6.12 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.60 5.06 0.00 2.95 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 20 S 8.64 4.11 0.00 3.92 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 21 G 8.94 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 0.00 0.00 0.00 22 V 7.21 3.70 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 0.81 0.00 0.00 0.92 0.00 0.00 23 G 8.51 4.34 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 0.00 24 K 8.59 3.87 0.00 1.81 1.91 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.49 7.81 25 S 7.93 4.43 0.00 3.84 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 26 N 8.02 4.79 0.00 2.88 3.10 0.00 0.00 7.63 6.74 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 27 L 8.30 4.13 0.00 1.99 1.94 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.13 4.08 0.00 1.89 1.92 1.03 0.93 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 29 S 8.46 4.13 0.00 4.06 4.09 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 0.00 0.00 0.00 30 R 8.43 4.06 0.00 2.15 2.15 0.00 3.18 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 1.70 1.77 0.00 31 F 8.25 4.28 0.00 2.72 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 32 T 7.79 3.96 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 1.04 0.00 0.00 33 R 7.69 4.39 0.00 1.88 1.89 0.00 3.24 0.00 0.00 3.10 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 34 N 7.89 4.32 0.00 2.79 2.81 0.00 0.00 6.91 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 35 E 7.92 4.88 0.00 1.94 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 2.20 2.48 0.00 36 F 8.49 4.74 0.00 2.93 2.86 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 37 N 7.35 4.66 0.00 2.58 2.38 0.00 0.00 6.81 6.66 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 38 L 8.60 3.94 0.00 1.80 1.74 1.15 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.80 4.58 0.00 1.94 1.90 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 2.22 2.20 0.00 40 S 7.52 4.11 0.00 3.91 3.77 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 41 K 8.10 4.56 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.22 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.31 7.81 42 S 8.46 4.14 0.00 3.98 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 43 T 8.37 3.98 4.34 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 1.28 0.00 0.00 44 I 8.66 4.00 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 1.35 0.61 0.92 0.00 0.00 45 G 7.66 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 0.00 0.00 0.00 0.00 46 V 8.35 4.91 2.31 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 1.52 0.00 0.00 1.02 0.00 0.00 47 E 9.27 4.88 0.00 1.86 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 2.20 2.22 0.00 48 F 7.66 5.26 0.00 2.22 1.45 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 49 A 8.88 4.70 1.09 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 0.00 0.00 0.00 0.00 0.00 50 T 8.20 5.71 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 1.34 0.00 0.00 51 R 8.16 4.55 0.00 1.36 1.46 0.00 2.90 0.00 0.00 2.92 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 52 S 8.49 5.19 0.00 3.72 3.79 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 53 I 8.87 4.69 1.97 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 1.35 1.25 1.03 0.00 0.00 54 Q 8.79 4.71 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 55 V 8.81 4.18 1.92 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0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.93 4.71 0.00 1.76 1.66 1.10 0.74 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 90 V 8.63 4.86 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 0.85 0.00 0.00 0.89 0.00 0.00 91 Y 8.69 4.96 0.00 3.11 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 92 D 9.04 5.19 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.63 3.81 1.93 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 1.46 0.66 0.89 0.00 0.00 94 A 8.29 4.59 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 95 K 8.28 4.45 0.00 1.79 1.74 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.40 7.81 96 H 8.88 4.19 0.00 3.33 3.34 0.00 5.93 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 3.65 3.27 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 0.00 106 L 8.40 4.12 0.00 1.95 1.77 1.09 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.15 3.91 0.00 1.81 1.94 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.40 7.81 108 E 8.17 3.92 0.00 2.22 2.33 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 2.70 2.55 0.00 109 L 8.02 3.70 0.00 1.94 1.66 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 110 R 7.73 3.84 0.00 1.91 1.94 0.00 3.12 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 111 D 8.04 4.41 0.00 2.39 2.41 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 0.00 112 H 8.04 4.73 0.00 2.76 3.29 0.00 5.61 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.45 4.71 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 0.00 114 D 8.36 4.43 0.00 2.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.72 4.12 0.00 3.98 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 0.00 116 N 8.15 4.73 0.00 2.85 2.82 0.00 0.00 6.93 6.77 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 0.00 117 I 7.49 3.78 1.95 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 1.12 0.80 0.95 0.00 0.00 118 V 8.66 3.89 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 0.71 0.00 0.00 0.84 0.00 0.00 119 I 8.41 4.98 1.90 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 1.26 1.08 0.97 0.00 0.00 120 M 8.71 5.03 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.18 0.00 121 L 9.19 4.77 0.00 2.06 2.05 1.30 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.64 1.62 0.00 130 H 8.37 4.29 0.00 3.30 3.46 0.00 5.49 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 7.84 4.51 0.00 1.70 1.62 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.59 4.04 0.00 1.89 1.90 0.00 3.21 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 133 A 9.21 4.55 1.25 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 0.00 0.00 134 V 7.53 4.09 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 -0.18 0.00 0.00 0.85 0.00 0.00 135 P 0.00 4.38 0.00 2.24 1.93 0.00 3.66 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 136 T 8.51 3.98 4.29 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 1.40 0.00 0.00 137 D 8.05 4.31 0.00 2.91 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 0.00 138 E 8.03 3.87 0.00 2.01 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 2.43 2.41 0.00 139 A 7.52 4.12 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 0.00 140 R 7.66 3.12 0.00 1.86 1.84 0.00 3.08 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 1.50 1.16 0.00 141 A 7.87 3.97 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 0.00 142 F 8.39 3.96 0.00 3.25 3.29 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 0.00 143 A 8.29 4.02 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.18 3.83 0.00 2.05 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 2.28 2.31 0.00 145 K 7.82 3.89 0.00 1.82 1.76 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.40 7.81 146 N 7.29 4.69 0.00 2.39 2.59 0.00 0.00 7.02 8.96 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 0.00 147 G 7.75 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 0.00 148 L 7.92 5.08 0.00 1.59 1.76 1.07 1.08 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 0.00 149 S 8.56 4.65 0.00 3.96 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 0.00 150 F 8.37 5.48 0.00 3.07 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 0.00 151 I 7.13 4.09 1.68 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.85 0.66 0.00 0.00 152 E 8.30 5.01 0.00 1.78 1.74 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 2.23 2.24 0.00 153 T 8.66 4.86 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 1.10 0.00 0.00 154 S 8.71 4.63 0.00 3.88 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.91 4.10 1.56 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 0.00 0.00 156 L 7.69 2.44 0.00 0.88 1.44 0.85 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 157 D 7.78 4.57 0.00 2.75 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.10 4.30 0.00 4.08 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 0.00 159 T 8.06 3.94 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 0.00 160 N 9.07 4.32 0.00 2.96 2.88 0.00 0.00 6.76 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 V 7.80 3.58 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 1.23 0.00 0.00 1.06 0.00 0.00 162 E 8.32 4.14 0.00 2.25 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 2.47 2.60 0.00 163 A 8.06 4.00 1.32 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 0.00 0.00 164 A 8.38 3.77 1.13 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 0.00 0.00 165 F 7.75 3.69 0.00 2.41 2.50 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 0.00 166 Q 8.44 4.06 0.00 2.27 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 167 T 8.07 3.86 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 1.20 0.00 0.00 168 I 7.63 3.65 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.87 0.00 0.00 169 L 8.21 4.18 0.00 2.03 1.96 1.16 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 0.00 170 T 8.16 4.01 4.46 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 1.28 0.00 0.00 171 E 8.14 3.97 0.00 2.06 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 0.00 2.54 2.49 0.00 172 I 7.85 3.61 1.49 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.07 -0.22 0.00 0.00 173 Y 7.91 4.19 0.00 3.28 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 0.00 174 R 7.79 4.00 0.00 1.84 1.94 0.00 3.27 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 175 I 7.20 3.80 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.68 0.79 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.