NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 5.7461 8.5898 120.3079 54.9357 41.7671 173.9516 3 K 4.8282 8.1405 116.7184 55.0172 37.0753 169.7000 4 V 5.3901 8.4056 113.2083 58.4585 36.3251 175.8685 *6 V 3.9240 8.0829 119.2204 63.2598 32.7598 174.6893 7 V 5.4588 8.6775 126.6251 60.3975 34.5728 174.0029 8 A 4.9023 8.2383 126.7556 50.9362 22.4999 175.1821 9 E 4.8652 8.6906 120.1687 55.4209 31.8972 176.3722 10 V 4.3861 8.6625 121.0378 61.4481 34.4501 175.6003 11 R 4.6757 9.8800 128.5784 54.4655 31.1084 176.2057 12 P 4.2214 0.0000 0.0000 65.4852 31.2527 177.9016 13 S 4.4394 7.9494 110.0813 58.6884 63.7148 173.7964 14 E 4.4169 7.8975 121.0977 55.1880 30.9746 174.9550 15 D 4.7608 8.2767 120.7905 52.5310 42.2297 177.1742 16 V 3.6131 8.5869 127.9719 65.5513 30.8859 177.9869 17 N 4.4394 8.3826 116.0475 55.6963 38.3372 177.5527 18 K 4.0087 8.1408 120.3602 59.0005 32.1617 179.6221 19 V 3.5795 7.6584 118.1905 66.0509 31.6459 177.9461 20 L 4.0142 7.9899 118.7672 57.8983 41.2124 179.5332 21 S 4.1289 8.2283 112.2065 61.2329 62.7647 175.7357 22 A 4.1859 8.2039 123.6448 55.1613 18.0038 179.7161 23 I 4.0248 7.8769 118.3892 64.5669 37.0296 178.7357 24 S 4.6844 8.1198 116.4275 60.8504 62.6002 176.0255 25 N 4.2353 7.2988 117.7856 55.3243 38.2058 175.6461 26 F 5.1378 7.5997 114.8894 56.9774 41.3968 174.8615 27 F 5.5453 8.9813 123.7396 56.9260 41.8592 173.5362 28 D 4.6702 8.6357 130.4276 52.5627 38.7184 176.2659 29 F 3.6286 6.6548 116.0571 56.7150 38.6007 175.4359 30 E 4.5098 9.2808 119.6486 57.0332 31.9337 175.5798 31 K 4.8214 7.7735 117.7939 54.2200 36.4400 174.8190 *33 N 4.7666 8.4535 116.3951 53.6521 38.9023 173.4278 34 T 5.0544 8.3744 115.5674 62.0254 71.8994 173.2878 35 R 4.8234 9.0477 123.2066 54.4402 34.9201 174.0692 36 K 5.0669 8.4502 118.0107 54.8173 35.9261 177.0002 37 E 4.6689 8.6958 121.5505 54.5831 31.2271 174.9217 38 G 4.1479 7.8105 115.9631 45.6759 0.0000 172.0002 39 I 4.2287 8.3909 118.2961 60.3878 37.7789 174.6713 40 I 4.6115 7.2402 122.5259 60.0995 39.3104 174.7135 41 D 5.2097 8.9244 126.9897 53.4344 43.1314 175.5333 42 I 4.8593 8.9192 122.0590 59.6071 40.6068 174.4610 43 L 4.6394 9.2374 127.9536 53.4682 43.4709 175.9265 44 V 4.6377 8.2032 123.2885 61.3104 33.1661 174.3286 45 L 4.9893 8.9709 128.6799 53.1065 43.6289 176.2020 46 E 5.4353 9.0958 121.3520 54.9149 34.3080 174.4571 47 A 5.0680 8.8721 121.7396 50.8266 22.5894 177.2661 48 R 4.1374 8.8460 120.0991 57.5614 30.9729 176.9650 49 T 4.7262 7.5307 106.9377 59.2785 71.0943 175.1277 50 L 4.2574 8.3603 122.8200 57.0480 42.0858 179.5345 51 K 4.1092 7.7423 118.5914 59.1740 32.2901 178.9821 52 S 4.4091 8.7095 113.6356 60.2220 63.1449 175.3071 53 L 5.1110 8.4160 121.6810 54.7747 42.0345 177.8453 54 L 4.1796 8.3491 124.4082 58.3860 42.0017 179.1709 55 K 4.1653 8.2566 117.8301 58.9283 32.1053 179.0626 56 F 4.0096 8.2660 121.0758 61.3112 38.5852 176.4286 57 H 3.8369 8.4245 118.0048 59.2903 29.5797 177.1974 58 R 4.1098 8.2497 120.6786 59.3894 29.9190 178.8480 59 V 3.6059 7.8552 119.0621 64.7910 31.3747 178.2878 60 L 3.8506 7.6867 119.0296 57.2767 41.3422 179.6717 61 R 3.9300 7.3371 118.2635 59.0045 30.1632 178.6729 62 N 4.3768 8.0726 114.7890 55.8196 38.5691 176.4852 63 E 4.1963 8.1815 117.9507 55.4813 30.6382 176.0533 64 R 3.8448 7.7628 117.3683 57.7870 28.1370 176.1295 65 I 4.8149 7.3008 105.0250 59.2319 38.6237 178.1568 66 L 3.9203 8.0765 123.7650 58.6631 41.4929 178.2158 67 D 4.2067 7.9418 118.8156 56.7364 39.3915 178.5672 68 S 4.1309 7.9899 114.7393 60.5559 62.4169 175.8300 69 A 3.4262 8.1659 123.5566 54.7847 17.8332 179.6101 70 R 3.6959 7.6329 116.8792 59.2579 30.2275 178.6138 71 K 3.9732 7.2269 116.1915 60.2000 32.6667 178.4713 72 Y 3.9818 7.0915 116.4618 60.3326 37.8142 178.4191 73 L 3.9896 7.5543 118.2836 55.1446 41.5817 178.8181 *75 K 4.1875 8.1310 122.2246 56.2960 33.8494 176.6432 76 G 4.1708 7.6167 105.3376 45.6616 0.0000 173.5890 77 I 4.4430 7.5312 121.1738 61.3324 37.8130 173.8629 78 E 4.6229 8.9839 123.6497 57.0048 32.8792 176.3189 79 G 4.0863 8.5648 101.5973 46.0547 0.0000 172.8275 80 N 5.2342 9.3746 117.5058 52.9159 40.7152 175.0485 81 T 5.9367 7.7934 106.9190 59.5897 73.0662 172.2526 82 I 5.2409 8.5355 122.2935 59.6177 40.9181 174.1827 83 A 5.2043 9.2173 128.6000 50.3388 22.1517 174.5969 84 F 4.7983 8.0468 117.5965 56.1517 42.2494 173.2290 *86 I 4.1596 8.3529 110.7026 60.9477 39.6514 174.6829 87 H 4.4763 9.1786 124.1510 56.2007 30.3066 176.0058 88 K 3.9840 8.8495 126.9540 59.8609 32.0250 178.8141 89 Q 4.0129 7.9669 116.2243 58.7354 28.9446 177.9098 90 A 4.1222 8.4402 121.1266 55.3312 18.4509 179.0660 91 A 4.3864 8.4962 120.1562 54.8943 18.2333 179.6963 92 A 4.0376 7.9977 117.6147 54.4419 18.3321 179.1582 93 V 4.3391 7.7776 109.9915 61.0465 32.6765 176.9515 94 G 3.8501 8.0205 105.7197 45.5573 0.0000 173.9693 95 V 4.4749 7.5468 119.5569 60.6783 33.2856 173.7137 96 L 4.2998 8.7331 129.9822 53.5585 43.0498 175.6376 97 S 4.3955 7.8779 120.1355 56.5825 65.5975 173.1553 98 F 4.2918 8.6015 125.6135 59.1766 39.6152 175.5972 99 V 4.3335 8.3887 114.6414 61.9477 35.6661 176.6496 *109 A 4.1471 8.9729 122.7935 52.4710 20.5496 178.4141 110 I 4.1460 8.2766 121.7100 60.3254 38.1852 175.6215 111 K 4.4310 8.9528 127.9754 55.0200 33.9785 175.7007 112 F 4.4741 8.5431 123.7715 55.5660 41.5223 174.2718 113 Y 5.1466 8.1614 119.4163 56.3872 41.9629 173.9933 114 I 4.6970 9.1038 125.4629 59.4611 40.6302 174.3355 115 E 4.9319 9.2015 128.9364 55.3751 30.3916 173.8344 116 Y 5.1180 8.9338 127.8267 56.3350 41.7786 174.4518 117 Q 4.1266 8.3176 127.6178 58.7236 29.6090 176.4816 118 N 4.9256 6.8405 116.7033 49.9452 38.3458 172.6891 119 P 4.4467 0.0000 0.0000 66.0215 31.3982 178.1899 120 K 3.9009 8.2528 118.6038 59.5151 31.8961 178.2901 121 E 4.2110 8.4893 118.3387 58.9043 29.3800 179.2546 122 I 4.0859 8.1110 120.7436 64.0489 37.3474 178.3491 123 V 3.5887 7.7921 118.6737 66.2021 31.2658 177.7349 124 D 4.8933 8.1936 117.5360 56.8089 40.7315 178.3609 125 W 4.5964 8.0394 128.9590 60.0549 30.9307 177.2581 126 L 4.0435 7.6929 116.4146 55.1127 42.0744 176.4541 127 A 4.4895 8.0192 122.0205 49.6372 18.5987 173.5157 128 P 3.9607 0.0000 0.0000 60.8542 32.8573 177.0906 129 K 4.1726 6.7443 120.7812 56.8585 33.3205 176.0157 130 T 5.0084 8.1057 110.4863 59.9691 72.5101 173.3535 131 A 4.4860 8.6561 125.6943 51.4341 20.2991 176.1624 132 H 4.0289 9.7540 120.7282 57.5546 26.2322 176.6904 133 G 3.9232 8.4627 108.1116 45.3254 0.0000 174.4870 134 V 3.8554 7.4717 120.6761 61.1029 30.8358 173.5008 135 P 4.4426 0.0000 0.0000 62.6331 31.5408 177.3241 136 L 4.0508 8.1484 123.6744 56.4525 41.8656 176.6841 137 W 5.1164 6.7008 113.4056 55.9379 31.0410 174.4378 138 D 4.8543 8.4277 117.8487 52.8133 40.7591 174.4039 139 N 4.7745 8.5495 119.6968 51.7200 39.8100 173.4480 140 P 4.6373 0.0000 0.0000 61.8610 32.4537 176.5650 141 V 2.0000 7.9662 112.4302 60.4146 31.7166 174.9079 142 P 4.1948 0.0000 0.0000 61.6100 31.8460 174.5554 143 P 4.3689 0.0000 0.0000 63.3707 30.9198 176.1003 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 2 D 8.59 5.75 0.00 2.66 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 3 K 8.14 4.83 0.00 2.09 2.03 0.00 1.39 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.66 7.81 4 V 8.41 5.39 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 1.16 0.00 0.00 1.27 0.00 0.00 *6 V 8.08 3.92 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 0.44 0.00 0.00 -0.61 0.00 0.00 7 V 8.68 5.46 2.23 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 1.13 0.00 0.00 1.01 0.00 0.00 8 A 8.24 4.90 1.16 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 0.00 0.00 0.00 0.00 0.00 9 E 8.69 4.87 0.00 1.83 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 2.26 2.35 0.00 10 V 8.66 4.39 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 1.04 0.00 0.00 0.91 0.00 0.00 11 R 9.88 4.68 0.00 2.11 1.84 0.00 3.23 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 12 P 0.00 4.22 0.00 2.03 2.12 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 13 S 7.95 4.44 0.00 3.97 3.97 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 14 E 7.90 4.42 0.00 2.08 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 2.28 2.22 0.00 15 D 8.28 4.76 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.59 3.61 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 0.83 0.00 0.00 0.91 0.00 0.00 17 N 8.38 4.44 0.00 2.80 2.91 0.00 0.00 7.00 7.30 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 18 K 8.14 4.01 0.00 1.95 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.44 7.81 19 V 7.66 3.58 2.20 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 1.05 0.00 0.00 0.92 0.00 0.00 20 L 7.99 4.01 0.00 1.79 1.84 0.91 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.23 4.13 0.00 3.92 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 22 A 8.20 4.19 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 0.00 0.00 23 I 7.88 4.02 2.21 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.93 1.27 0.00 0.00 24 S 8.12 4.68 0.00 3.99 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 25 N 7.30 4.24 0.00 1.52 1.81 0.00 0.00 6.80 7.33 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 26 F 7.60 5.14 0.00 3.30 2.93 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 F 8.98 5.55 0.00 3.33 3.33 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 28 D 8.64 4.67 0.00 2.55 2.43 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 29 F 6.65 3.63 0.00 2.75 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 0.00 0.00 0.00 30 E 9.28 4.51 0.00 1.94 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 2.21 2.21 0.00 31 K 7.77 4.82 0.00 1.72 1.75 0.00 1.73 0.00 0.00 1.92 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.43 7.81 *33 N 8.45 4.77 0.00 2.85 2.98 0.00 0.00 5.74 7.22 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 34 T 8.37 5.05 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 1.19 0.00 0.00 35 R 9.05 4.82 0.00 1.67 1.77 0.00 3.04 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 36 K 8.45 5.07 0.00 1.57 1.65 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.38 7.81 37 E 8.70 4.67 0.00 1.95 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 2.25 0.00 38 G 7.81 4.15 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 0.00 0.00 0.00 39 I 8.39 4.23 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 1.41 0.67 0.91 0.00 0.00 40 I 7.24 4.61 2.02 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 1.22 0.65 0.90 0.00 0.00 41 D 8.92 5.21 0.00 2.58 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 42 I 8.92 4.86 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.85 0.89 0.00 0.00 43 L 9.24 4.64 0.00 1.47 1.45 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.20 4.64 2.43 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 0.77 0.00 0.00 0.90 0.00 0.00 45 L 8.97 4.99 0.00 1.70 1.38 0.29 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.10 5.44 0.00 1.98 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 2.30 2.30 0.00 47 A 8.87 5.07 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 48 R 8.85 4.14 0.00 1.79 2.00 0.00 3.47 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 1.64 1.65 0.00 49 T 7.53 4.73 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 1.24 0.00 0.00 50 L 8.36 4.26 0.00 1.52 1.49 0.90 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.74 4.11 0.00 2.03 1.93 0.00 1.50 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.48 7.81 52 S 8.71 4.41 0.00 4.32 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 53 L 8.42 5.11 0.00 2.22 1.82 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.35 4.18 0.00 2.14 1.79 1.25 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.26 4.17 0.00 2.04 2.14 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.59 1.58 7.81 56 F 8.27 4.01 0.00 3.46 3.09 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 57 H 8.42 3.84 0.00 2.60 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.25 4.11 0.00 1.99 2.10 0.00 3.17 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 59 V 7.86 3.61 2.22 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 0.34 0.00 0.00 0.91 0.00 0.00 60 L 7.69 3.85 0.00 1.75 1.68 1.01 0.93 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 61 R 7.34 3.93 0.00 2.14 1.90 0.00 3.00 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 62 N 8.07 4.38 0.00 2.67 2.87 0.00 0.00 7.09 7.26 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 63 E 8.18 4.20 0.00 1.93 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 2.25 2.40 0.00 64 R 7.76 3.84 0.00 1.93 1.95 0.00 3.07 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 65 I 7.30 4.81 1.88 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 1.25 1.60 0.90 0.00 0.00 66 L 8.08 3.92 0.00 1.59 1.61 0.76 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 67 D 7.94 4.21 0.00 2.80 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 68 S 7.99 4.13 0.00 3.95 4.10 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 69 A 8.17 3.43 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 70 R 7.63 3.70 0.00 1.84 2.00 0.00 3.30 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 71 K 7.23 3.97 0.00 1.75 1.75 0.00 1.49 0.00 0.00 1.46 0.00 0.00 2.52 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.26 0.95 7.81 72 Y 7.09 3.98 0.00 1.99 2.38 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 73 L 7.55 3.99 0.00 1.52 1.47 0.68 -0.28 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 *75 K 8.13 4.19 0.00 1.65 2.04 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.43 7.81 76 G 7.62 4.17 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 0.00 77 I 7.53 4.44 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.82 0.97 0.00 0.00 78 E 8.98 4.62 0.00 1.93 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 0.00 2.25 2.29 0.00 79 G 8.56 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 0.00 0.00 0.00 80 N 9.37 5.23 0.00 2.66 2.93 0.00 0.00 6.30 7.05 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 81 T 7.79 5.94 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 82 I 8.54 5.24 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.96 1.15 0.00 0.00 83 A 9.22 5.20 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 84 F 8.05 4.80 0.00 3.35 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 *86 I 8.35 4.16 1.65 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 1.53 0.82 0.52 0.00 0.00 87 H 9.18 4.48 0.00 3.15 3.17 0.00 5.59 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.85 3.98 0.00 1.86 1.74 0.00 1.76 0.00 0.00 1.91 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.55 7.81 89 Q 7.97 4.01 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 90 A 8.44 4.12 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 91 A 8.50 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.00 4.04 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 93 V 7.78 4.34 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 0.83 0.00 0.00 1.02 0.00 0.00 94 G 8.02 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 95 V 7.55 4.47 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 0.93 0.00 0.00 0.93 0.00 0.00 96 L 8.73 4.30 0.00 0.27 0.85 -1.20 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 97 S 7.88 4.40 0.00 3.76 3.51 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 98 F 8.60 4.29 0.00 1.79 1.70 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 99 V 8.39 4.33 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 0.69 0.00 0.00 0.92 0.00 0.00 *109 A 8.97 4.15 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 0.00 110 I 8.28 4.15 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.03 0.82 0.00 0.00 111 K 8.95 4.43 0.00 1.84 1.33 0.00 1.50 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.34 7.81 112 F 8.54 4.47 0.00 1.51 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 0.00 0.00 0.00 113 Y 8.16 5.15 0.00 2.80 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 0.00 114 I 9.10 4.70 2.02 0.00 0.00 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 1.22 0.97 1.03 0.00 0.00 115 E 9.20 4.93 0.00 2.16 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 0.00 2.28 2.35 0.00 116 Y 8.93 5.12 0.00 2.92 2.84 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 0.00 117 Q 8.32 4.13 0.00 1.71 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.00 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 118 N 6.84 4.93 0.00 2.91 2.77 0.00 0.00 6.83 8.03 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 0.00 119 P 0.00 4.45 0.00 2.35 2.45 0.00 3.81 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 120 K 8.25 3.90 0.00 1.94 1.92 0.00 1.65 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.83 7.81 121 E 8.49 4.21 0.00 2.43 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 2.40 2.46 0.00 122 I 8.11 4.09 2.13 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 1.19 1.06 1.05 0.00 0.00 123 V 7.79 3.59 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 1.05 0.00 0.00 0.95 0.00 0.00 124 D 8.19 4.89 0.00 2.95 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 W 8.04 4.60 0.00 3.28 3.55 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 0.00 126 L 7.69 4.04 0.00 1.47 0.89 0.79 0.17 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 0.00 127 A 8.02 4.49 1.12 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 0.00 128 P 0.00 3.96 0.00 1.22 0.49 0.00 3.41 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.13 0.00 129 K 6.74 4.17 0.00 1.45 1.63 0.00 1.91 0.00 0.00 1.98 0.00 0.00 3.19 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.62 7.81 130 T 8.11 5.01 4.21 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 131 A 8.66 4.49 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 0.00 132 H 9.75 4.03 0.00 3.26 3.40 0.00 5.92 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 0.00 133 G 8.46 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 0.00 134 V 7.47 3.86 2.20 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 1.02 0.00 0.00 0.92 0.00 0.00 135 P 0.00 4.44 0.00 2.12 1.76 0.00 3.59 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 2.02 1.98 0.00 136 L 8.15 4.05 0.00 1.48 1.91 0.96 0.76 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 0.00 137 W 6.70 5.12 0.00 3.40 3.19 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 0.00 138 D 8.43 4.85 0.00 2.65 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 0.00 139 N 8.55 4.77 0.00 3.05 2.86 0.00 0.00 7.27 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 0.00 140 P 0.00 4.64 0.00 2.14 2.07 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 141 V 7.97 2.00 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 0.72 0.00 0.00 0.72 0.00 0.00 142 P 0.00 4.19 0.00 1.46 1.92 0.00 2.46 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.92 0.00 143 P 0.00 4.37 0.00 2.20 2.06 0.00 3.86 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 2.13 2.02 0.00 * Residues marked with a * may have inaccurate shift predictions.