NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4589 8.4345 117.1033 58.9022 65.2604 173.7266 4 R 3.6586 8.3714 124.3990 56.1902 28.1126 174.1764 5 R 4.1138 9.1938 121.1851 63.5779 29.8269 178.7261 6 V 4.0024 7.9582 122.3796 66.5802 31.7414 180.8255 7 Q 4.2358 8.1383 120.6580 59.8199 27.8171 180.2135 8 A 4.2567 8.0619 125.0723 55.8810 18.4323 180.3905 9 L 4.0205 7.6789 120.5496 59.6368 41.0759 181.2656 10 L 4.2274 7.6950 120.3595 57.8505 41.4768 179.3927 11 D 4.4819 8.1386 120.6905 58.0702 40.3580 179.6566 12 Q 4.0542 7.8011 121.2412 60.1531 28.1532 181.1961 13 L 4.3485 8.1099 121.2250 57.7394 41.7044 179.6629 14 R 4.2882 8.2460 118.9855 58.7168 29.7950 178.8745 15 A 4.0457 7.5578 119.3873 55.2688 18.5142 179.1780 16 Q 4.1789 7.6467 113.7339 56.7627 28.8353 177.1104 17 G 4.1195 7.8119 108.9952 45.2780 0.0000 173.6422 18 I 3.9588 8.2329 121.8332 61.1617 37.0027 176.5540 19 Q 4.3752 9.4204 124.4003 55.7203 30.2715 176.1081 20 D 4.5888 7.9657 118.0157 53.2433 41.3862 176.0525 21 E 4.1117 8.5883 127.7705 58.7349 29.6592 179.1649 22 Q 3.9607 8.1019 118.3551 58.8082 28.8814 178.5263 23 V 3.5358 7.9187 119.0802 66.0488 31.5929 177.9754 24 L 4.0083 7.9730 118.6464 57.9356 41.4204 179.3306 25 N 4.3194 8.5387 116.4591 56.3108 38.2676 177.3541 26 A 3.9859 7.9531 123.5533 55.6599 18.3108 180.0261 27 L 4.0075 8.0420 120.7053 59.4601 40.7059 181.8649 28 A 4.2559 7.6266 119.5543 54.9469 18.4308 179.2771 29 A 4.2211 7.8038 118.1043 52.8030 18.3954 177.3511 30 V 4.1912 6.8084 116.9844 60.1129 32.7697 173.6682 31 P 4.5735 0.0000 0.0000 62.0813 30.9367 176.9760 32 R 4.0154 8.8897 127.3570 59.8319 29.7218 178.4517 33 E 3.6295 8.2674 119.5547 61.2870 29.6924 183.1599 34 K 4.2128 7.9245 120.8204 58.0501 31.8291 180.3254 35 F 4.5589 7.9828 113.6596 59.8302 40.9841 176.5782 *44 A 4.3639 7.7831 119.5653 51.2942 20.0516 175.0994 45 W 5.2481 7.9125 126.4873 55.9192 34.2319 174.2680 46 D 4.4479 7.4679 119.0987 53.1273 40.1712 174.2579 47 N 4.8457 8.2303 118.5578 52.9103 37.4093 173.7631 48 I 4.8369 6.9641 113.5086 58.9033 42.1130 175.8174 49 A 4.5341 8.5422 125.1133 52.0861 19.2559 176.9699 50 L 4.8515 8.7689 122.8051 52.8917 45.9425 175.6021 51 P 4.9081 0.0000 0.0000 61.7223 32.1953 177.0135 *54 Q 4.4327 8.5494 117.4932 57.1709 29.5234 179.4080 55 G 3.7787 8.9954 118.1929 48.1700 0.0000 173.7678 56 Q 4.3461 7.7948 118.4479 55.8131 29.5865 175.2001 57 T 4.9469 8.0081 109.2032 59.8828 71.7145 173.7186 58 I 3.9262 8.6445 127.5260 61.2557 38.2047 175.8604 59 S 4.5966 8.7208 123.2442 57.9606 63.6962 174.3314 60 Q 4.3383 8.6260 120.8402 55.2266 29.1164 175.6727 61 P 4.3780 0.0000 0.0000 66.3084 31.3323 178.2431 62 Y 4.0808 8.0759 117.5704 60.8879 38.7431 177.7334 63 M 3.9196 8.0999 118.6286 58.5228 32.4790 178.0923 64 V 3.5602 7.8846 118.2078 65.8944 31.6671 177.7732 65 A 3.8834 8.3109 120.7841 55.1656 18.2794 179.5673 66 R 3.6145 7.9751 117.3960 59.8137 29.8809 178.6582 67 M 4.0434 8.0691 117.5828 58.7000 32.0943 178.6161 68 T 3.9599 7.9930 115.9580 66.4722 68.5749 176.3456 69 E 3.9038 8.5325 121.7246 59.3311 29.4419 178.9358 70 L 4.0832 7.7944 117.7296 57.3603 41.7024 179.0360 71 L 4.0383 7.6118 117.9532 55.0784 42.6379 176.5204 72 E 3.7714 7.8787 117.9370 57.2443 27.3837 175.0791 73 L 4.2120 7.5214 117.1629 54.7515 43.1028 177.0996 74 T 4.7456 8.3885 111.5743 58.7566 71.9757 173.1694 75 P 4.5103 0.0000 0.0000 64.9848 31.3378 178.4902 76 Q 4.1777 7.9335 113.6425 57.1593 29.1380 176.4331 77 S 4.2311 7.8381 116.3601 59.1617 63.4337 173.8481 78 R 4.4202 9.4605 125.1578 55.5341 31.1763 175.4987 79 V 4.8352 8.1357 124.5711 60.8461 34.4672 173.9495 80 L 4.7761 8.4420 129.5233 53.1083 44.4286 174.2718 81 E 4.8630 9.4351 128.4085 54.7423 31.7051 174.4008 82 I 4.2369 9.0073 128.7920 61.1058 38.6408 176.1051 83 G 4.2790 9.1214 117.2078 47.1463 0.0000 172.5975 84 T 4.0133 8.1891 119.2836 66.1425 70.2068 176.1423 85 G 3.9953 8.8204 109.6575 46.3817 0.0000 176.5175 86 S 4.2023 8.7424 118.6288 59.6307 63.1301 175.8488 87 G 4.3958 8.7665 109.4471 45.5333 0.0000 174.5272 88 Y 2.8712 7.8429 121.1594 60.2850 38.7495 177.7080 89 Q 3.5988 7.9406 119.8402 59.4040 29.1566 178.0058 90 T 3.8724 7.9920 115.9646 66.9092 68.2348 176.0776 91 A 4.0031 7.6375 121.1776 55.0346 18.5528 179.4000 92 I 3.6573 7.2911 118.1993 64.6172 37.3248 178.7597 93 L 3.9408 7.9610 119.3364 57.5584 41.1223 179.4525 94 A 4.0360 7.5339 119.7230 55.0918 18.3838 178.7616 95 H 4.3470 7.8899 113.0999 57.3182 29.0245 176.0419 96 L 4.5633 7.7253 119.6504 54.6998 43.5506 176.2712 97 V 4.6200 7.3354 109.3559 59.2736 35.2214 175.6885 98 Q 4.1669 8.7366 120.5367 58.5281 28.7396 176.6491 99 H 5.2198 8.0180 117.3411 54.2634 33.4821 172.4235 100 V 4.5637 8.4595 124.9730 60.0649 34.1617 174.1825 101 C 5.1782 8.7174 122.7491 58.4590 30.1676 172.7188 102 S 5.2855 9.9373 117.4704 56.5309 66.0692 172.6042 103 V 4.8462 8.7285 124.7929 61.0937 34.6751 173.8639 104 E 5.0321 8.9331 127.7062 54.6342 32.8776 175.8985 105 R 4.5552 9.1504 122.5143 56.6186 31.3419 175.8588 106 I 5.5204 7.8738 123.5226 59.2891 38.7768 176.8996 107 K 4.0385 8.8276 131.3691 59.6331 31.4418 175.6559 108 G 3.9424 8.1844 108.4336 48.4471 0.0000 176.2123 109 L 4.0978 7.9651 124.8001 59.1242 40.2099 180.7707 110 Q 4.1825 7.9368 120.8733 58.7676 29.0685 177.9236 111 W 4.6578 8.5032 131.8611 61.4541 30.6924 178.5118 112 Q 3.8241 8.3848 120.1992 60.0328 27.4349 180.3288 113 A 4.4642 8.0974 123.9935 54.5559 18.3458 179.9228 114 R 3.9074 9.4926 119.3117 60.1647 30.2752 180.1268 115 R 3.8915 7.8939 122.5564 61.4920 28.9936 181.5578 116 R 4.1096 7.9155 122.0201 61.9238 29.3333 183.5279 117 L 4.5221 8.3294 124.1622 59.9032 40.9882 183.8994 118 K 4.2555 7.8732 126.2634 60.6497 31.4327 182.6441 119 N 4.5502 7.7786 115.9418 54.7924 37.6038 177.5978 120 L 4.2769 7.6886 116.4915 54.9641 42.5195 176.8259 121 D 4.4716 7.8429 117.0852 54.2546 37.0407 178.6087 122 L 4.8299 8.4554 122.0046 54.2239 45.2565 177.7021 *123 H 4.9600 8.8247 118.1510 54.2198 29.8582 170.0783 124 N 5.0242 8.1709 116.2106 53.7211 38.6598 173.9057 125 V 4.7121 7.8028 119.5689 62.0680 33.3642 174.9731 126 S 4.8663 9.0504 126.1127 57.9022 63.8608 173.7174 127 T 5.2403 8.7414 115.2886 60.2825 71.4321 174.2470 128 R 4.1824 8.5511 122.8785 54.6836 33.2547 173.4715 129 H 4.7263 9.0216 127.3444 56.9224 30.4613 174.1147 130 G 3.7945 8.8812 112.8057 46.0340 0.0000 170.4435 131 D 5.0187 8.1581 119.7722 52.4405 41.9124 177.5851 132 G 3.7303 8.9440 116.0949 47.8151 0.0000 174.6866 133 W 4.0929 8.2574 119.1555 59.1775 29.0518 176.9128 134 Q 4.4105 8.3150 115.7818 55.1127 29.6907 177.9385 135 G 3.8170 8.1695 107.3698 46.2958 0.0000 177.3673 136 W 5.3567 9.6121 124.8276 55.9548 31.7334 174.5744 137 Q 4.0757 8.6536 123.8745 58.4275 29.2499 178.1972 138 A 4.0723 8.5012 119.8605 54.4676 18.5089 177.9751 139 R 4.1650 7.9363 111.8940 55.7620 30.6403 175.9485 140 A 3.0901 7.1446 120.9949 50.1825 19.5870 175.6904 141 P 4.5149 0.0000 0.0000 62.3861 33.0647 175.3841 142 F 4.9891 8.7719 117.8978 55.8509 42.0959 176.5467 143 D 4.5699 9.0257 121.3927 56.7588 42.2747 176.1857 144 A 5.1646 8.3892 120.2005 50.4449 22.9836 175.2652 145 I 4.8394 8.8697 122.9077 59.3436 41.0775 174.4417 146 I 4.9204 8.6451 126.4785 59.0536 41.2035 173.9340 147 V 4.6849 8.4059 129.1042 61.2067 33.0694 174.9778 148 T 4.6366 8.8465 117.0939 61.4605 69.9038 173.7517 149 A 4.9878 7.6959 121.9091 50.5082 22.9305 175.8065 150 A 5.1177 9.3912 122.1426 49.0368 20.6991 175.4097 151 P 4.9670 0.0000 0.0000 62.0216 32.7073 175.9189 152 P 4.5247 0.0000 0.0000 64.8899 31.6709 175.7229 153 E 4.7561 7.9144 116.1707 54.0857 33.3456 174.7706 154 I 3.8781 8.0696 120.9196 59.6629 37.5309 174.6675 155 P 4.3363 0.0000 0.0000 63.0826 31.8801 177.5893 156 T 3.7828 8.8285 119.7873 66.6061 68.3796 176.5081 157 A 4.0523 8.0471 122.2495 55.2233 18.2470 179.4423 158 L 4.0396 7.5367 116.2025 57.4393 41.9111 179.1631 159 M 4.0879 7.7088 118.6004 58.2696 31.9498 178.4282 160 T 4.0503 7.7100 114.6625 66.4446 68.8511 175.6832 161 Q 4.4138 8.2602 117.8013 55.2744 29.1518 175.3484 162 L 4.7388 7.4972 121.4600 54.6442 42.6223 176.7199 163 D 4.6620 9.1172 123.6992 53.0888 43.5057 174.6848 164 E 3.9683 8.6588 121.5663 57.9036 30.0832 177.7590 165 G 3.9899 8.8835 114.5386 45.2526 0.0000 173.7833 166 G 3.9114 8.3523 107.8910 46.3695 0.0000 172.8974 167 I 5.1399 8.6781 122.1107 59.1129 40.6811 174.1743 168 L 5.0677 9.3194 129.4757 53.2131 44.6518 175.0169 169 V 4.9785 8.7632 126.3608 60.9723 34.1902 174.0866 170 L 4.8496 8.4468 127.1712 53.5821 44.4557 172.9916 171 P 4.7608 0.0000 0.0000 62.6158 32.9632 174.9831 172 V 4.7233 9.9285 123.3970 60.1183 34.6491 175.7543 173 G 4.6092 7.2707 114.4720 43.9942 0.0000 170.4360 174 E 4.3623 8.2040 121.9693 57.4174 31.6867 177.4877 175 E 4.0533 9.2128 116.8725 58.9305 30.8885 179.8836 *176 H 4.8344 8.0920 116.0295 52.5209 30.4856 174.7230 177 Q 5.0856 8.1972 123.5039 53.3622 32.0995 174.3935 178 Y 5.0747 8.7082 119.0004 55.9383 42.4541 174.4868 179 L 4.4928 9.4061 126.5449 55.0128 43.4012 175.7812 180 K 5.1321 9.1726 125.5313 54.5100 36.3140 174.9276 181 R 4.9817 8.9671 123.3039 54.5438 32.9767 174.3241 182 V 4.9456 9.0655 126.4842 61.0452 34.5351 173.9086 183 R 5.0435 8.8779 127.9560 54.4346 33.1757 174.2324 184 R 4.1836 8.8659 127.4475 55.8564 31.5112 174.9529 185 R 4.1528 8.7502 127.5822 53.8084 32.1704 176.5927 186 G 3.9990 10.3763 121.0544 46.8000 0.0000 173.1477 187 G 3.8453 8.8590 112.9399 45.0658 0.0000 172.3111 188 E 4.7512 7.7627 119.4885 54.2523 33.2533 174.8227 189 F 5.2008 8.6068 118.8117 55.8733 42.3644 174.5791 190 I 4.4435 8.9595 124.9099 59.7240 39.2118 174.5639 191 I 4.8540 8.4610 128.1852 59.7882 38.7341 174.8361 192 D 5.0946 9.2083 127.1986 52.7793 44.3769 175.1890 193 T 4.8519 8.3760 117.1419 62.4836 69.8007 174.6181 194 V 4.3253 8.5777 119.7558 62.5616 33.6748 175.5725 195 E 4.9912 7.6801 115.5977 55.7420 32.1463 175.1370 196 A 4.5501 8.7864 122.0740 51.8598 19.4781 177.0779 197 V 4.5646 8.1740 116.1334 61.0744 36.8296 175.4784 198 R 4.6231 8.4595 119.1034 55.0849 31.6943 173.7097 199 F 4.8489 9.6229 122.3515 54.1706 42.1873 176.1121 200 V 4.0966 8.0984 115.1411 60.7958 32.6344 174.2049 201 P 4.8768 0.0000 0.0000 62.7871 32.4867 176.2414 202 L 4.3870 8.5974 125.0091 53.9159 41.8268 176.2091 203 V 3.8062 8.3541 126.7068 62.4539 32.0611 175.8676 204 K 4.0559 8.5083 128.3450 56.4400 34.0777 178.5760 205 G 3.7927 7.9443 113.2518 46.2013 0.0000 176.6992 206 E 3.8429 8.9698 123.7410 56.5491 29.6503 176.3932 207 L 4.3691 8.3678 123.8899 52.9255 42.3724 173.6744 208 A 4.4162 9.0101 118.7714 53.7825 19.1214 176.2573 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 3 S 8.43 4.46 0.00 3.65 3.74 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 4 R 8.37 3.66 0.00 1.97 1.07 0.00 3.22 0.00 0.00 3.36 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.26 0.00 5 R 9.19 4.11 0.00 1.81 1.97 0.00 3.22 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.27 0.00 6 V 7.96 4.00 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 0.75 0.00 0.00 0.93 0.00 0.00 7 Q 8.14 4.24 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.00 0.00 8 A 8.06 4.26 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 9 L 7.68 4.02 0.00 1.61 1.69 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.70 4.23 0.00 1.74 1.77 0.92 1.07 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 11 D 8.14 4.48 0.00 2.71 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.80 4.05 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 13 L 8.11 4.35 0.00 1.88 1.82 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.25 4.29 0.00 2.04 2.01 0.00 3.15 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 15 A 7.56 4.05 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 16 Q 7.65 4.18 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.97 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 17 G 7.81 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 0.00 0.00 0.00 18 I 8.23 3.96 1.99 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.98 0.90 0.00 0.00 19 Q 9.42 4.38 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 20 D 7.97 4.59 0.00 2.72 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 21 E 8.59 4.11 0.00 2.02 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 2.57 2.34 0.00 22 Q 8.10 3.96 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.91 0.00 0.00 0.00 0.00 0.00 2.58 2.35 0.00 23 V 7.92 3.54 2.24 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 1.03 0.00 0.00 0.98 0.00 0.00 24 L 7.97 4.01 0.00 1.91 1.71 1.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.54 4.32 0.00 2.90 2.85 0.00 0.00 6.91 7.99 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 26 A 7.95 3.99 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 27 L 8.04 4.01 0.00 1.68 1.69 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.63 4.26 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 29 A 7.80 4.22 1.04 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 30 V 6.81 4.19 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 0.82 0.00 0.00 0.88 0.00 0.00 31 P 0.00 4.57 0.00 2.32 2.28 0.00 4.04 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.02 0.00 32 R 8.89 4.02 0.00 1.93 1.95 0.00 3.07 0.00 0.00 3.42 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.54 0.00 33 E 8.27 3.63 0.00 2.11 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 2.23 1.95 0.00 34 K 7.92 4.21 0.00 1.87 1.74 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.35 7.81 35 F 7.98 4.56 0.00 2.85 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 *44 A 7.78 4.36 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 45 W 7.91 5.25 0.00 3.19 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 46 D 7.47 4.45 0.00 2.74 2.45 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 47 N 8.23 4.85 0.00 2.69 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0.00 124 N 8.17 5.02 0.00 2.95 3.05 0.00 0.00 5.62 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 0.00 125 V 7.80 4.71 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 0.87 0.00 0.00 0.94 0.00 0.00 126 S 9.05 4.87 0.00 3.77 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 0.00 127 T 8.74 5.24 4.30 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 1.29 0.00 0.00 128 R 8.55 4.18 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.90 0.00 129 H 9.02 4.73 0.00 3.15 3.21 0.00 6.02 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.88 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 0.00 0.00 0.00 131 D 8.16 5.02 0.00 2.81 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.94 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.26 4.09 0.00 3.34 3.31 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 0.00 134 Q 8.31 4.41 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.98 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 135 G 8.17 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 0.00 0.00 0.00 136 W 9.61 5.36 0.00 3.40 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 0.00 137 Q 8.65 4.08 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.66 0.00 0.00 0.00 0.00 0.00 2.43 1.93 0.00 138 A 8.50 4.07 1.51 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 0.00 0.00 139 R 7.94 4.17 0.00 1.51 1.61 0.00 3.28 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.41 0.00 140 A 7.14 3.09 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 141 P 0.00 4.51 0.00 2.08 2.01 0.00 3.53 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 142 F 8.77 4.99 0.00 3.00 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 0.00 143 D 9.03 4.57 0.00 2.65 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 5.16 1.20 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 0.00 0.00 0.00 145 I 8.87 4.84 1.83 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.83 0.83 0.00 0.00 146 I 8.65 4.92 1.81 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 1.05 1.42 0.89 0.00 0.00 147 V 8.41 4.68 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 0.74 0.00 0.00 0.77 0.00 0.00 148 T 8.85 4.64 4.37 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 1.24 0.00 0.00 149 A 7.70 4.99 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 0.00 150 A 9.39 5.12 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 0.00 151 P 0.00 4.97 0.00 1.79 1.37 0.00 3.77 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 1.86 1.42 0.00 152 P 0.00 4.52 0.00 2.31 2.46 0.00 4.23 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.15 0.00 153 E 7.91 4.76 0.00 2.11 1.94 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 2.29 2.43 0.00 154 I 8.07 3.88 1.79 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 1.32 0.42 0.77 0.00 0.00 155 P 0.00 4.34 0.00 1.96 1.85 0.00 3.26 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.51 0.00 156 T 8.83 3.78 4.27 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 1.18 0.00 0.00 157 A 8.05 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.54 4.04 0.00 1.61 1.67 0.73 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 159 M 7.71 4.09 0.00 0.51 1.62 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 160 T 7.71 4.05 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 0.00 161 Q 8.26 4.41 0.00 2.36 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 162 L 7.50 4.74 0.00 1.93 1.74 1.13 0.87 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 0.00 163 D 9.12 4.66 0.00 2.73 2.55 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 0.00 0.00 0.00 0.00 164 E 8.66 3.97 0.00 2.10 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 2.35 2.37 0.00 165 G 8.88 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 0.00 166 G 8.35 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 0.00 167 I 8.68 5.14 1.88 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 1.12 0.86 0.97 0.00 0.00 168 L 9.32 5.07 0.00 1.70 1.51 0.90 0.73 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 0.00 169 V 8.76 4.98 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 0.88 0.00 0.00 0.90 0.00 0.00 170 L 8.45 4.85 0.00 1.52 1.52 0.71 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 171 P 0.00 4.76 0.00 1.82 1.52 0.00 3.27 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.44 0.00 172 V 9.93 4.72 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 0.95 0.00 0.00 0.85 0.00 0.00 173 G 7.27 4.61 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 0.00 0.00 0.00 174 E 8.20 4.36 0.00 1.94 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 2.20 2.30 0.00 175 E 9.21 4.05 0.00 2.03 1.85 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 2.23 1.88 0.00 *176 H 8.09 4.83 0.00 2.88 2.85 0.00 7.12 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 Q 8.20 5.09 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 178 Y 8.71 5.07 0.00 2.88 2.83 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 0.00 179 L 9.41 4.49 0.00 1.78 1.61 0.82 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 180 K 9.17 5.13 0.00 1.72 1.63 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.60 1.49 7.81 181 R 8.97 4.98 0.00 1.87 1.74 0.00 3.08 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 182 V 9.07 4.95 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 1.02 0.00 0.00 0.92 0.00 0.00 183 R 8.88 5.04 0.00 1.91 1.73 0.00 3.13 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 184 R 8.87 4.18 0.00 2.01 1.88 0.00 3.23 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.76 0.00 185 R 8.75 4.15 0.00 1.80 1.66 0.00 3.25 0.00 0.00 3.13 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 186 G 10.38 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 0.00 187 G 8.86 3.85 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 0.00 0.00 0.00 188 E 7.76 4.75 0.00 1.96 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 0.00 2.20 2.20 0.00 189 F 8.61 5.20 0.00 2.89 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 0.00 190 I 8.96 4.44 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.67 0.92 0.00 0.00 191 I 8.46 4.85 1.88 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 1.36 0.62 0.90 0.00 0.00 192 D 9.21 5.09 0.00 2.57 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 0.00 193 T 8.38 4.85 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 1.20 0.00 0.00 194 V 8.58 4.33 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 0.75 0.00 0.00 0.98 0.00 0.00 195 E 7.68 4.99 0.00 2.08 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 0.00 2.23 2.27 0.00 196 A 8.79 4.55 1.17 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 0.00 0.00 0.00 0.00 0.00 197 V 8.17 4.56 2.45 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 0.83 0.00 0.00 1.08 0.00 0.00 198 R 8.46 4.62 0.00 1.76 1.66 0.00 3.21 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.20 0.00 199 F 9.62 4.85 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 V 8.10 4.10 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 0.77 0.00 0.00 1.03 0.00 0.00 201 P 0.00 4.88 0.00 2.16 2.11 0.00 3.81 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 202 L 8.60 4.39 0.00 1.60 1.70 0.87 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 203 V 8.35 3.81 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 0.84 0.00 0.00 0.99 0.00 0.00 204 K 8.51 4.06 0.00 0.83 1.26 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.87 0.21 7.81 205 G 7.94 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 0.00 0.00 0.00 206 E 8.97 3.84 0.00 2.00 1.79 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 2.23 1.89 0.00 207 L 8.37 4.37 0.00 1.66 1.51 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 208 A 9.01 4.42 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 * Residues marked with a * may have inaccurate shift predictions.