NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4476 8.4029 118.6742 56.2986 32.3458 174.7411 4 K 4.8062 8.5905 125.2293 52.7120 34.2768 173.9501 5 Y 4.3582 10.1550 130.3694 55.8026 40.2010 173.9276 6 I 4.1837 7.8227 128.3847 60.2748 38.3550 175.4207 7 V 4.2405 8.1341 127.7440 61.1727 33.2023 175.0921 8 T 4.3424 8.1731 117.5821 59.9285 71.2741 175.6165 9 W 4.3547 8.8175 122.3402 60.2650 29.1533 178.4476 10 D 4.4315 8.2565 118.0557 57.8407 40.3909 178.6953 11 M 4.0305 7.8501 119.1165 58.1505 31.8359 178.5915 12 L 4.0342 8.3169 120.9368 58.3138 42.4439 178.8968 13 Q 4.0381 8.4701 119.5547 59.0743 28.7818 178.3410 14 I 3.7455 7.5694 120.8300 64.5877 37.1549 178.1012 15 H 4.2259 8.1196 116.8922 58.7472 28.5216 177.6522 16 A 3.9973 8.3497 122.9721 55.3845 18.0653 179.9707 17 R 3.9977 8.1305 118.5694 59.6671 29.8482 180.1045 18 K 4.0185 7.5250 123.1558 59.6430 31.8479 182.0542 19 L 4.2432 8.0377 121.5103 57.7914 41.8503 178.8692 20 A 4.0016 8.2000 121.1749 55.0328 18.0577 179.7600 21 S 4.1386 7.9444 112.8760 61.5061 62.9863 176.4904 22 R 4.1812 7.6610 119.6266 57.4570 29.9391 177.5132 23 L 4.7523 7.2153 118.1898 54.0567 42.2377 176.2082 24 M 4.4817 7.1407 119.4361 53.7346 32.6824 174.6267 25 P 4.5283 0.0000 0.0000 62.4580 32.7093 177.3301 26 S 4.0569 8.6631 115.9631 61.5769 62.6690 176.7294 27 E 4.0269 8.1118 115.6309 58.5271 29.4698 181.8181 28 Q 4.0037 7.1264 112.8084 56.6879 28.7173 175.8335 29 W 5.1431 7.6726 120.7668 55.8368 32.1077 175.8483 30 K 4.1748 8.9702 125.6630 56.7935 33.1375 175.6249 31 G 3.9115 6.4476 104.0305 46.1030 0.0000 172.0197 32 I 5.1348 8.4295 119.6524 59.5474 41.1811 175.2092 33 I 4.7471 9.2622 128.4862 59.6338 38.7643 174.3365 34 A 4.8069 8.9599 130.7811 50.8890 20.3303 176.2834 35 V 4.1638 8.6362 123.7559 62.2179 32.5386 175.3204 36 S 4.5181 8.6476 124.2448 58.5391 62.7463 174.1143 37 R 4.3769 8.7070 124.1113 56.2980 31.6746 178.4405 38 G 3.7722 7.8180 106.2981 47.8732 0.0000 174.5959 39 G 3.9259 8.4938 107.7133 45.4618 0.0000 175.4941 40 L 3.8621 7.7631 121.4081 57.6617 41.5843 179.6212 41 V 3.5884 7.3315 117.4856 65.7046 31.8302 176.1152 42 P 4.4662 0.0000 0.0000 65.5549 31.1505 178.8711 43 G 3.5731 8.4442 104.6756 47.6347 0.0000 175.7286 44 A 4.0441 7.9941 123.1326 54.8549 18.3362 179.7929 45 L 4.0114 8.0380 117.7505 57.8508 41.6518 179.6853 46 L 3.9595 7.9139 118.5021 57.6381 41.5687 179.1795 47 A 3.9901 8.1143 120.8189 55.1639 18.1126 179.7744 48 R 3.7752 7.8324 116.5385 59.7920 30.0836 178.5681 49 E 3.9770 8.0982 116.9251 59.0527 29.5512 178.6635 50 L 4.4438 8.3126 117.2404 53.9940 42.4032 176.6815 51 G 3.7366 7.7052 106.7860 46.6679 0.0000 173.7492 52 I 4.2944 7.9975 121.3654 59.6306 37.8962 176.5601 53 R 4.1038 8.5264 124.5493 57.5321 30.8279 176.0864 54 H 4.5663 8.0438 118.4236 54.9941 30.3430 173.9752 55 V 4.8330 8.1943 125.4795 61.2839 33.6902 173.8736 56 D 5.1036 9.1885 128.2546 52.7534 44.3944 174.3225 57 T 5.6861 8.1673 110.1400 58.7849 72.7046 173.4812 58 V 4.5159 8.1010 119.9408 61.4837 34.8486 173.2714 59 A 4.9520 9.0154 131.0000 50.4806 20.7500 175.4440 60 I 4.9850 8.5462 125.4448 60.3155 40.4826 175.8750 61 S 4.9592 9.2036 126.4333 57.6151 66.5932 171.1041 62 S 5.2227 8.7347 119.8524 58.5247 64.7286 174.6492 *63 Y 4.6852 8.8286 127.7067 55.6058 39.1883 172.8489 64 D 4.8089 8.5563 124.7848 51.1793 44.0758 172.0347 *69 R 4.2367 8.4645 119.7114 57.2116 30.8989 176.6073 70 E 4.9092 9.0507 123.5761 54.4798 33.3456 171.9283 71 L 5.1612 8.4838 122.9651 54.7272 43.9234 178.3318 72 K 4.4209 9.0715 127.2155 53.4818 34.5759 175.7136 73 V 4.0963 8.3214 124.9518 61.1576 30.8087 174.3404 74 L 4.1923 8.8578 127.5725 56.4565 42.0466 177.9215 75 K 4.6517 7.9332 118.8831 54.5144 35.8008 174.3764 76 R 4.9613 8.5625 126.2530 54.2895 32.6649 174.6348 77 A 4.3325 8.6206 127.9506 51.6542 19.1398 177.3609 78 E 4.0276 8.6463 120.5475 56.8159 30.4289 177.4194 79 G 3.8426 8.7483 107.0822 44.8894 0.0000 173.0140 80 D 4.7261 8.7608 116.6328 52.8153 40.0178 177.4904 81 G 4.0180 8.3056 108.2069 45.5109 0.0000 172.8011 82 E 4.4242 8.0671 121.0769 57.4749 29.9629 176.5814 83 G 4.0469 9.5417 114.0608 45.6616 0.0000 171.8268 84 F 5.3242 8.2591 116.8292 55.3457 43.6853 173.8033 85 I 4.6644 8.2772 120.0572 59.5809 39.9260 174.8985 86 V 4.7123 8.3711 127.2040 61.3077 33.3451 174.2951 87 I 5.5410 8.5777 127.5992 58.2143 41.4661 173.4565 88 D 5.2471 8.2611 126.8934 52.2559 44.7235 175.6446 89 D 4.7107 8.9433 122.7941 56.2936 40.3564 175.7309 90 L 5.2261 7.6332 115.9775 54.1636 44.1993 175.5525 91 V 4.1517 8.1414 117.7522 61.6182 33.3939 175.3883 92 D 4.3195 8.9875 127.4745 56.5275 41.9419 176.5301 93 T 4.3031 7.9629 106.2054 64.5186 70.6680 174.8838 94 G 4.1180 8.4671 109.5069 44.7498 0.0000 175.7130 95 G 3.5771 7.8554 109.9147 47.9266 0.0000 175.9971 96 T 4.2122 7.8983 109.9280 63.9000 69.4776 176.8571 97 A 3.8201 8.0534 125.5392 55.3704 18.4144 180.4700 98 V 3.5147 8.0163 118.1125 66.0577 31.7919 181.4824 99 A 4.3207 7.8167 120.9398 55.0841 18.3675 179.6906 100 I 3.6962 7.6359 118.3962 64.2782 36.5192 178.8622 101 R 3.8049 8.0243 119.5327 59.2918 29.7924 179.0323 102 E 4.0397 7.6942 115.0662 59.2068 29.6073 178.7123 103 M 3.9847 7.5424 119.0552 56.9678 33.6547 176.3222 104 Y 5.1259 7.4643 115.5032 54.1075 38.2537 174.2273 105 P 4.3637 0.0000 0.0000 65.1069 32.0520 178.4095 106 K 4.4303 8.0537 116.2925 54.4127 31.9741 179.0186 107 A 4.9892 7.7538 120.6717 52.2063 20.2557 177.9710 108 H 4.8812 8.8222 120.7235 54.9024 30.0945 172.9588 109 F 5.1332 9.0337 127.5563 57.8736 40.4228 174.3687 110 V 4.8778 8.5507 119.2207 59.9477 36.3899 174.4180 111 T 5.0376 8.0835 111.3229 60.5788 72.5378 174.5741 112 I 3.6964 8.4229 121.1974 63.4492 38.1139 176.1020 113 F 5.3634 7.8807 119.8725 56.1999 41.8302 174.8380 114 A 4.7193 8.4297 122.6000 50.9633 22.4298 176.3134 115 K 4.7611 8.8960 122.8933 54.5500 33.5269 176.5610 116 P 4.0826 0.0000 0.0000 65.9388 31.4221 177.9898 117 A 4.0764 8.6621 120.0117 54.7701 18.4642 178.5897 118 G 3.8510 8.0015 105.2892 46.9839 0.0000 176.1958 119 R 3.6699 7.9343 122.9713 61.1571 29.0010 182.1861 120 P 4.6240 0.0000 0.0000 65.3503 31.6222 178.6174 121 L 4.2209 7.8841 122.1665 57.9658 41.2678 183.0523 122 V 4.6486 6.6602 109.9959 60.7219 32.8038 176.0412 123 D 4.6344 8.8630 123.1439 57.3928 41.5594 176.4504 124 D 4.7113 7.7110 114.6201 53.6467 44.5169 174.0822 125 Y 5.7914 8.1322 121.5523 55.8380 41.2613 174.1606 126 V 3.9487 8.5433 117.0128 64.0985 33.1292 175.5484 127 V 4.4904 7.9932 120.5705 61.0724 34.2099 173.6074 128 D 5.2966 8.7478 126.8180 53.3933 42.1932 175.7903 129 I 4.4135 7.9692 123.9784 58.4652 40.7055 173.8808 130 P 4.4979 0.0000 0.0000 62.2483 31.9323 177.2603 131 Q 3.9370 8.7036 122.7147 59.0125 28.9690 176.9789 132 D 4.7216 7.9951 114.3494 53.4832 39.9510 175.5004 133 T 4.7701 7.6330 117.5433 62.0601 70.0834 174.0079 134 W 4.3977 8.8869 135.0000 56.7517 32.2438 174.8970 135 I 4.3886 7.2950 128.2315 60.0058 37.7412 175.4652 136 E 4.2687 9.2439 129.1132 55.0543 30.1855 176.5767 137 Q 3.6980 7.9846 124.4909 54.1013 29.6386 175.8582 138 P 3.6767 0.0000 0.0000 65.1445 30.9429 178.1168 139 W 4.5441 6.5440 113.9269 58.0632 28.4325 176.2083 140 D 4.7871 7.6634 117.9136 54.5039 40.7925 175.2156 141 M 4.7996 7.0388 118.3102 53.7651 35.1465 174.3051 142 G 3.9855 7.9952 106.2609 45.5261 0.0000 173.7688 143 V 4.0357 8.3240 120.1055 61.4473 30.5259 175.1119 144 V 4.6051 7.7512 118.9385 58.4732 35.3548 175.5601 145 F 4.1172 8.8041 123.2896 58.4867 39.5269 174.3765 146 V 4.0621 7.1904 126.6096 59.9429 33.3008 173.2757 147 P 4.1752 0.0000 0.0000 62.1198 31.8216 174.6073 148 P 4.4410 0.0000 0.0000 62.2377 31.9990 177.0708 149 I 3.7625 8.5010 124.7298 64.2921 37.4084 177.1621 150 S 4.4156 7.8989 120.0478 58.0138 62.6477 176.5266 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 E 8.40 4.45 0.00 1.68 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 2.21 1.90 0.00 4 K 8.59 4.81 0.00 1.58 1.60 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.07 7.81 5 Y 10.15 4.36 0.00 2.91 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 6 I 7.82 4.18 1.66 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 1.13 0.57 0.75 0.00 0.00 7 V 8.13 4.24 1.88 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 0.88 0.00 0.00 0.68 0.00 0.00 8 T 8.17 4.34 4.26 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 1.14 0.00 0.00 9 W 8.82 4.35 0.00 3.42 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 10 D 8.26 4.43 0.00 2.73 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 11 M 7.85 4.03 0.00 1.98 2.21 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 2.59 2.67 0.00 12 L 8.32 4.03 0.00 1.84 1.95 1.04 0.93 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 13 Q 8.47 4.04 0.00 2.41 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 14 I 7.57 3.75 1.92 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 1.51 1.36 0.87 0.00 0.00 15 H 8.12 4.23 0.00 3.22 3.15 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.35 4.00 1.39 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 0.00 0.00 0.00 17 R 8.13 4.00 0.00 2.06 1.99 0.00 3.14 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 18 K 7.52 4.02 0.00 1.80 1.72 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.31 7.81 19 L 8.04 4.24 0.00 1.69 1.78 0.85 1.03 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 20 A 8.20 4.00 1.39 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 0.00 0.00 0.00 21 S 7.94 4.14 0.00 4.02 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.66 4.18 0.00 1.92 2.05 0.00 3.33 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 23 L 7.22 4.75 0.00 1.77 1.81 0.76 0.92 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 24 M 7.14 4.48 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 25 P 0.00 4.53 0.00 2.15 2.13 0.00 3.60 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.86 0.00 26 S 8.66 4.06 0.00 3.95 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 27 E 8.11 4.03 0.00 2.03 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 2.23 1.87 0.00 28 Q 7.13 4.00 0.00 1.35 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.59 0.00 0.00 0.00 0.00 0.00 1.87 1.16 0.00 29 W 7.67 5.14 0.00 3.22 2.90 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 30 K 8.97 4.17 0.00 1.47 1.71 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.25 7.81 31 G 6.45 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 32 I 8.43 5.13 1.87 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 1.09 0.73 0.90 0.00 0.00 33 I 9.26 4.75 1.63 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.94 0.61 0.00 0.00 34 A 8.96 4.81 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 35 V 8.64 4.16 2.34 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 1.03 0.00 0.00 1.11 0.00 0.00 36 S 8.65 4.52 0.00 3.92 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 37 R 8.71 4.38 0.00 1.76 1.76 0.00 3.15 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 38 G 7.82 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 0.00 0.00 0.00 39 G 8.49 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 0.00 0.00 0.00 40 L 7.76 3.86 0.00 1.61 1.62 0.82 0.52 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 41 V 7.33 3.59 2.18 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 1.52 0.00 0.00 1.01 0.00 0.00 42 P 0.00 4.47 0.00 2.22 2.13 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 43 G 8.44 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.04 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 45 L 8.04 4.01 0.00 1.92 1.76 1.05 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.91 3.96 0.00 1.83 1.64 0.81 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.11 3.99 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 48 R 7.83 3.78 0.00 1.96 2.10 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 49 E 8.10 3.98 0.00 1.99 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 2.61 2.51 0.00 50 L 8.31 4.44 0.00 1.67 1.77 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.71 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 0.00 0.00 0.00 52 I 8.00 4.29 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 1.33 0.67 0.96 0.00 0.00 53 R 8.53 4.10 0.00 1.81 1.99 0.00 3.21 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 54 H 8.04 4.57 0.00 3.30 3.34 0.00 5.80 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.19 4.83 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 0.84 0.00 0.00 0.94 0.00 0.00 56 D 9.19 5.10 0.00 2.78 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.17 5.69 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 1.19 0.00 0.00 58 V 8.10 4.52 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 1.08 0.00 0.00 1.00 0.00 0.00 59 A 9.02 4.95 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 60 I 8.55 4.99 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.74 0.91 0.00 0.00 61 S 9.20 4.96 0.00 3.37 3.68 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 62 S 8.73 5.22 0.00 3.36 3.64 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 *63 Y 8.83 4.69 0.00 1.97 2.18 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 64 D 8.56 4.81 0.00 2.63 2.39 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 0.00 *69 R 8.46 4.24 0.00 1.85 1.81 0.00 3.19 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 70 E 9.05 4.91 0.00 1.61 1.82 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 2.14 2.10 0.00 71 L 8.48 5.16 0.00 1.40 1.44 0.92 0.63 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 72 K 9.07 4.42 0.00 1.37 1.68 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.23 7.81 73 V 8.32 4.10 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 0.88 0.00 0.00 0.93 0.00 0.00 74 L 8.86 4.19 0.00 1.67 1.76 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.93 4.65 0.00 1.74 1.59 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.36 7.81 76 R 8.56 4.96 0.00 1.81 1.75 0.00 3.22 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 77 A 8.62 4.33 1.26 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 0.00 0.00 78 E 8.65 4.03 0.00 1.98 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 2.32 2.32 0.00 79 G 8.75 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.76 4.73 0.00 2.83 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 81 G 8.31 4.02 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 0.00 0.00 0.00 82 E 8.07 4.42 0.00 2.20 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 2.40 2.40 0.00 83 G 9.54 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.26 5.32 0.00 3.16 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 85 I 8.28 4.66 1.57 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.15 0.66 0.00 0.00 86 V 8.37 4.71 2.39 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 1.19 0.00 0.00 0.79 0.00 0.00 87 I 8.58 5.54 1.76 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 1.04 1.34 0.91 0.00 0.00 88 D 8.26 5.25 0.00 2.98 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.94 4.71 0.00 3.11 3.41 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 90 L 7.63 5.23 0.00 1.63 1.81 0.84 0.42 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 91 V 8.14 4.15 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 1.12 0.00 0.00 0.95 0.00 0.00 92 D 8.99 4.32 0.00 2.63 2.65 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 93 T 7.96 4.30 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 94 G 8.47 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 95 G 7.86 3.58 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 0.00 0.00 0.00 96 T 7.90 4.21 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 1.23 0.00 0.00 97 A 8.05 3.82 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 98 V 8.02 3.51 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 0.79 0.00 0.00 0.93 0.00 0.00 99 A 7.82 4.32 1.28 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 0.00 0.00 100 I 7.64 3.70 1.52 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 1.01 0.69 0.00 0.00 101 R 8.02 3.80 0.00 1.96 1.91 0.00 3.28 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 102 E 7.69 4.04 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.29 0.00 103 M 7.54 3.98 0.00 1.07 2.05 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.32 0.00 104 Y 7.46 5.13 0.00 2.96 2.82 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 0.00 105 P 0.00 4.36 0.00 2.06 2.13 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.22 0.00 106 K 8.05 4.43 0.00 1.77 1.69 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 0.99 7.81 107 A 7.75 4.99 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 0.00 108 H 8.82 4.88 0.00 3.59 3.08 0.00 5.78 0.00 0.00 0.00 0.00 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.03 5.13 0.00 3.16 2.95 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 0.00 110 V 8.55 4.88 1.91 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 0.57 0.00 0.00 0.77 0.00 0.00 111 T 8.08 5.04 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 0.82 0.00 0.00 112 I 8.42 3.70 1.63 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.91 -0.04 0.00 0.00 113 F 7.88 5.36 0.00 2.93 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 0.00 114 A 8.43 4.72 0.47 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 0.00 115 K 8.90 4.76 0.00 1.81 1.66 0.00 1.95 0.00 0.00 1.68 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.15 7.81 116 P 0.00 4.08 0.00 2.00 2.11 0.00 3.82 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 2.00 2.07 0.00 117 A 8.66 4.08 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 0.00 118 G 8.00 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 0.00 119 R 7.93 3.67 0.00 1.85 1.98 0.00 3.27 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 120 P 0.00 4.62 0.00 2.23 2.22 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 121 L 7.88 4.22 0.00 1.77 1.62 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 122 V 6.66 4.65 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 1.02 0.00 0.00 123 D 8.86 4.63 0.00 2.59 2.66 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 0.00 124 D 7.71 4.71 0.00 2.76 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 0.00 125 Y 8.13 5.79 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 0.00 126 V 8.54 3.95 1.95 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 0.69 0.00 0.00 0.84 0.00 0.00 127 V 7.99 4.49 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 0.98 0.00 0.00 0.63 0.00 0.00 128 D 8.75 5.30 0.00 2.66 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 0.00 129 I 7.97 4.41 1.69 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.94 0.61 0.00 0.00 130 P 0.00 4.50 0.00 2.14 1.94 0.00 3.48 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 131 Q 8.70 3.94 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.10 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 132 D 8.00 4.72 0.00 2.82 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 0.00 133 T 7.63 4.77 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 1.28 0.00 0.00 134 W 8.89 4.40 0.00 3.47 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 0.00 135 I 7.30 4.39 1.30 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.31 0.22 0.00 0.00 136 E 9.24 4.27 0.00 1.88 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 2.61 2.51 0.00 137 Q 7.98 3.70 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.85 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 138 P 0.00 3.68 0.00 0.49 1.45 0.00 2.51 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.19 0.00 139 W 6.54 4.54 0.00 3.46 3.50 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 0.00 140 D 7.66 4.79 0.00 2.74 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 0.00 141 M 7.04 4.80 0.00 1.91 1.88 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 2.55 2.37 0.00 142 G 8.00 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 0.00 143 V 8.32 4.04 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 0.88 0.00 0.00 0.99 0.00 0.00 144 V 7.75 4.61 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 0.82 0.00 0.00 0.97 0.00 0.00 145 F 8.80 4.12 0.00 2.97 2.99 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 0.00 146 V 7.19 4.06 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 0.78 0.00 0.00 0.91 0.00 0.00 147 P 0.00 4.18 0.00 2.05 2.04 0.00 3.63 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.32 0.00 148 P 0.00 4.44 0.00 2.19 1.96 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 149 I 8.50 3.76 1.85 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 1.24 0.43 0.90 0.00 0.00 150 S 7.90 4.42 0.00 3.60 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 * Residues marked with a * may have inaccurate shift predictions.