NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 L 4.3316 8.1844 120.6323 54.7663 43.3527 175.1516 16 Q 4.4588 8.5581 120.6562 54.9491 31.6510 173.2869 17 N 4.1245 9.5671 119.5369 54.4606 37.0711 174.4561 18 I 4.1345 7.6342 117.1816 61.3690 38.5220 176.8651 19 I 4.3856 8.5742 127.2166 59.6860 39.7412 174.0879 20 Y 4.8887 8.4627 124.3393 56.7751 39.9300 175.5766 21 N 4.3865 8.8526 120.7878 53.0426 37.8481 172.4219 22 P 4.4385 0.0000 0.0000 62.3945 32.7856 176.6940 23 V 3.8564 8.2438 120.2052 62.6439 32.2062 175.2551 24 I 4.5612 8.0599 127.5856 58.8802 38.7051 173.7354 25 P 4.6126 0.0000 0.0000 63.0848 31.5793 174.8846 26 Y 4.6787 8.7931 125.6950 55.7368 41.3827 174.6174 27 V 4.1825 7.5166 125.5625 61.2233 34.1566 174.2915 28 G 4.2230 8.2636 114.4571 43.4049 0.0000 171.2165 29 T 4.5835 8.4631 119.3107 63.4688 69.2516 174.0957 30 I 3.7619 8.3815 127.4585 60.0639 37.5594 174.2781 31 P 4.2506 0.0000 0.0000 65.1564 31.3154 176.0632 32 D 4.9263 7.2313 113.8614 51.7998 44.7700 175.3017 33 Q 4.1073 8.4288 119.6389 56.4186 29.5291 177.9727 34 L 4.4375 8.1759 123.1809 53.8951 40.4580 176.5139 35 D 4.5555 7.6910 121.1557 52.8523 42.1480 174.5018 36 P 4.5673 0.0000 0.0000 64.8265 31.5593 176.7902 37 G 4.0559 9.6059 112.9622 45.2699 0.0000 174.0128 38 T 4.3601 7.5835 116.4238 63.7118 69.2655 173.8893 39 L 5.0782 9.2948 125.0688 53.0216 45.3027 175.6113 40 I 4.5326 8.8185 123.7282 59.6271 40.0062 174.5975 41 V 4.6574 8.4713 128.6579 61.1319 33.6290 174.4830 42 I 4.8741 8.9139 129.1094 59.8465 40.2735 174.1551 43 C 4.9834 8.6073 125.4010 58.4365 30.6404 173.8894 44 G 3.0609 7.2666 108.3321 46.0931 0.0000 171.1721 45 H 5.0620 8.3937 118.8159 54.5398 34.1678 173.6858 46 V 4.4560 8.1866 124.6136 60.7877 32.8497 174.0428 47 P 4.6230 0.0000 0.0000 62.1740 31.9798 175.9828 48 S 4.2332 8.4724 116.6315 60.3278 63.0620 173.8419 49 D 4.3269 8.9300 122.0072 54.7723 39.5833 173.1959 50 A 4.0865 7.4778 119.1644 52.1519 19.1131 178.1909 51 D 4.6431 8.6694 121.0071 54.9456 40.6601 176.3344 52 R 5.0519 7.5826 114.2026 55.9291 31.9605 172.8097 53 F 5.5102 7.6644 113.3978 56.2664 41.8584 172.8162 54 Q 4.5642 10.0538 116.8888 54.7497 32.5062 173.7275 55 V 4.8832 8.8881 120.9760 61.4411 34.1851 173.8294 56 D 5.4101 9.6701 128.7060 52.5531 44.1387 175.2858 57 L 4.8495 9.0073 124.1744 53.8201 42.9616 175.8657 58 Q 4.9708 9.3740 123.6985 54.4540 32.0658 174.9211 59 N 5.1989 8.4161 120.8522 51.5227 38.1930 174.9008 60 G 3.9842 9.4490 111.2663 44.7311 0.0000 170.9539 61 S 4.7016 8.0448 109.3827 57.5998 63.6183 174.1071 62 S 4.1521 8.0439 115.9422 59.1556 62.6157 174.7753 63 V 3.8739 8.2550 125.8676 63.8963 32.2746 175.7009 64 K 4.3341 7.5992 120.5685 54.2521 33.3191 173.3612 65 P 4.4641 0.0000 0.0000 62.2525 31.8933 176.2458 66 R 4.0179 9.0296 121.5798 55.9401 30.4487 176.2893 67 A 4.1384 8.5619 127.8408 52.3709 19.1598 177.0909 68 D 4.4351 8.7504 120.5597 54.4876 42.6486 175.8343 69 V 4.5649 8.3678 121.7774 61.1341 32.8216 175.8640 70 A 4.2528 8.8849 131.5033 54.5883 19.1855 177.4384 71 F 4.8526 8.1979 117.8747 57.1021 42.8514 172.9397 72 H 5.2133 8.8307 127.0982 53.7775 31.7062 173.0039 73 F 4.1944 8.4647 130.2159 56.5097 40.8807 173.6090 74 N 4.6676 7.7675 126.0739 49.3473 39.5914 170.5042 75 P 4.0028 0.0000 0.0000 61.6700 32.6657 175.1787 76 R 4.3616 8.4506 123.0908 54.4259 32.8048 176.5566 77 F 4.5589 8.6929 120.1616 57.5680 40.8693 176.8398 78 K 4.1632 7.8936 120.4540 57.4758 33.3566 177.1780 79 R 3.8435 8.3682 119.7186 57.3856 27.9119 178.9927 80 A 4.0123 8.6908 127.1519 54.2984 18.6016 178.6173 81 G 4.0359 9.2093 101.4472 46.3546 0.0000 172.1665 82 C 4.5944 7.9186 114.2776 57.6115 33.7861 172.2331 83 I 4.3436 7.8981 118.7725 59.5244 40.3085 174.9245 84 V 4.2536 8.0233 127.6400 61.2859 33.4459 174.2393 85 C 5.5153 8.5782 124.8786 57.3977 31.7769 172.7067 86 N 5.2008 8.0169 119.4997 53.5268 42.6214 172.4000 87 T 5.4278 8.8467 114.9848 61.8193 73.1863 172.9258 88 L 4.5598 8.9300 128.1076 53.3106 44.1529 174.9697 89 I 4.7998 8.2094 127.0482 59.8462 40.4503 175.7772 90 N 3.9585 9.9190 125.8262 54.5610 36.5561 174.3261 91 E 3.5989 8.2279 110.5681 56.9857 27.3890 174.6818 92 K 4.4608 7.5645 117.9939 54.0893 35.2046 175.9908 93 W 4.7387 8.7061 123.9945 56.9948 29.6972 177.0312 94 G 4.2732 8.6804 112.5591 45.7650 0.0000 172.6890 95 R 4.3232 8.6551 122.9492 56.1813 30.7178 177.7101 96 E 4.4046 8.8959 126.1858 56.4428 30.7404 176.2742 97 E 4.6265 9.4285 123.3329 54.9314 32.1016 174.7944 98 I 4.5304 8.2687 125.5051 59.7769 39.4091 175.5049 99 T 4.4274 8.3248 123.5964 62.1828 69.9111 174.9691 100 Y 4.2041 8.7876 124.1880 59.1729 38.6613 176.0358 101 D 4.6771 7.7272 120.4664 52.7974 39.8560 173.7817 102 T 4.2865 7.7476 116.3749 60.0413 68.5836 172.5916 103 P 4.5634 0.0000 0.0000 62.8719 32.1300 175.8421 104 F 4.7930 7.6593 118.3559 57.2098 39.4933 175.1146 105 K 4.9237 8.6169 121.2211 55.3326 35.2381 175.6664 106 R 3.7155 8.5427 120.5135 57.8617 30.4240 176.2203 107 E 3.9754 8.9913 120.0996 57.2602 27.7544 174.3311 108 K 4.8213 7.4255 116.2455 54.4175 36.1505 176.4072 109 S 4.8441 8.6915 118.2250 58.4361 64.5776 172.7252 110 F 5.5798 8.3218 114.5358 56.1335 41.8411 172.8185 111 E 5.1328 9.0991 119.6137 54.8483 32.7332 173.7744 112 I 4.8331 9.3764 128.7251 59.7134 39.7575 174.9699 113 V 4.6864 8.8620 126.9023 61.5748 34.1170 174.7131 114 I 5.0941 8.3619 130.4029 58.8926 40.6826 174.6712 *116 V 4.0620 8.0888 121.6063 63.5724 31.7114 175.5695 117 L 4.8810 8.3905 128.8293 52.7150 43.6424 178.1057 118 K 3.9922 8.6514 120.5499 59.3635 32.3039 177.0770 119 D 4.7023 7.6734 115.8630 53.0168 40.4788 174.9552 120 K 4.1762 6.9372 118.9706 56.6932 36.6036 173.5221 121 F 5.0175 8.5516 118.7735 55.7954 41.1285 175.0305 122 Q 5.1348 8.6895 122.8002 54.2980 32.1048 173.9605 123 V 4.9141 9.1273 125.9810 61.0172 34.7036 173.9103 124 A 5.2026 9.0106 128.7516 50.0598 22.5394 174.7986 125 V 4.6017 8.3824 120.9455 61.4739 34.8968 175.5129 126 N 3.9224 10.0441 125.4775 54.5481 36.5349 175.9805 127 G 3.9894 8.6007 103.9125 45.2822 0.0000 173.7275 128 K 4.5237 7.6685 121.2061 53.9213 34.4620 174.8327 129 H 4.3840 8.9483 125.3486 57.5711 30.3224 173.6413 130 T 4.5483 8.4811 122.1049 64.6152 70.8024 173.9126 131 L 4.5171 7.3111 118.3432 55.1321 43.5155 173.2743 132 L 5.4081 8.5792 118.6249 53.4377 45.4654 176.3044 133 Y 4.5160 8.8646 123.1465 56.2997 41.5720 174.3517 134 G 3.8356 8.3177 114.8063 46.1744 0.0000 172.1944 135 H 4.6158 8.2848 121.1648 55.8918 29.2381 175.7556 136 R 4.5745 8.8350 121.2712 56.0532 32.3716 176.2595 137 I 4.5866 7.7173 117.4024 58.6182 40.2400 175.4062 138 G 3.7020 8.7390 113.7672 45.1738 0.0000 172.5589 139 P 4.3088 0.0000 0.0000 65.3526 31.2994 177.8627 140 E 4.1380 8.0485 115.5648 58.0408 29.3236 177.4689 141 K 4.2385 8.3202 119.1256 57.1231 32.6284 176.2168 142 I 4.7441 7.6092 121.5754 60.7081 37.8653 175.2401 143 D 4.9108 9.0024 121.8477 53.1783 42.1282 174.8223 144 T 5.1234 7.8709 115.5836 62.0587 73.3375 172.1277 145 L 5.1888 9.2035 128.0591 53.2843 44.6882 175.2115 146 G 4.4267 9.5456 113.1247 44.3864 0.0000 171.6110 147 I 5.1248 8.3054 124.0149 59.6184 40.8345 174.2257 148 Y 5.0633 9.3059 123.6515 56.8865 42.9071 174.8995 149 G 3.7714 9.0662 105.7720 44.2512 0.0000 173.7162 150 K 4.5165 8.3756 119.4037 55.6559 31.2006 176.9083 151 V 4.2937 7.8479 121.6935 60.4835 34.2803 172.5291 152 N 4.8782 8.7497 120.5834 51.7368 40.9058 173.5731 153 I 4.4778 8.1254 124.8515 60.2641 38.8858 176.2368 154 H 4.5771 9.1455 125.6634 58.3999 30.0669 175.5911 155 S 5.0100 7.5239 109.9014 57.3292 66.2835 173.6863 156 I 4.8396 8.5570 122.2715 59.5773 40.4916 174.8594 157 G 4.3838 8.8602 113.0926 44.5178 0.0000 171.1941 158 F 5.4710 8.9211 118.7183 55.4617 43.5099 174.2910 159 S 4.7695 9.1656 116.5390 56.4358 65.4369 174.1359 160 G 4.1382 8.7968 116.0628 44.3942 0.0000 172.1423 161 P 4.2605 0.0000 0.0000 65.2779 31.3603 177.8378 162 S 4.7030 7.8484 111.5087 58.2133 62.9399 174.2942 163 S 4.2635 7.8573 117.0096 57.6678 63.1074 174.7957 164 G 3.6437 8.6385 111.7562 46.2626 0.0000 172.1673 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 15 L 8.18 4.33 0.00 1.64 1.68 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.56 4.46 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.28 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 17 N 9.57 4.12 0.00 3.04 2.90 0.00 0.00 7.01 7.45 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 18 I 7.63 4.13 1.67 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 1.24 0.43 -0.03 0.00 0.00 19 I 8.57 4.39 1.64 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.19 0.75 0.00 0.00 20 Y 8.46 4.89 0.00 2.86 2.80 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 0.00 0.00 0.00 21 N 8.85 4.39 0.00 2.73 2.85 0.00 0.00 7.18 7.25 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 22 P 0.00 4.44 0.00 1.91 1.66 0.00 3.97 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.51 0.00 23 V 8.24 3.86 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 0.86 0.00 0.00 0.96 0.00 0.00 24 I 8.06 4.56 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.61 1.09 0.00 0.00 25 P 0.00 4.61 0.00 2.07 2.34 0.00 3.70 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 2.15 2.25 0.00 26 Y 8.79 4.68 0.00 3.15 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.52 4.18 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 28 G 8.26 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 29 T 8.46 4.58 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 1.19 0.00 0.00 30 I 8.38 3.76 1.78 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 1.30 0.52 0.45 0.00 0.00 31 P 0.00 4.25 0.00 1.77 2.12 0.00 2.42 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.95 0.00 32 D 7.23 4.93 0.00 2.55 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 33 Q 8.43 4.11 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.57 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 34 L 8.18 4.44 0.00 1.73 1.76 1.15 1.25 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 35 D 7.69 4.56 0.00 2.72 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 36 P 0.00 4.57 0.00 2.02 2.02 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 37 G 9.61 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.58 4.36 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 1.36 0.00 0.00 39 L 9.29 5.08 0.00 1.53 1.53 0.94 0.77 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 40 I 8.82 4.53 1.85 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.99 0.67 0.00 0.00 41 V 8.47 4.66 1.97 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 1.02 0.00 0.00 0.88 0.00 0.00 42 I 8.91 4.87 1.95 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 1.11 0.48 0.98 0.00 0.00 43 C 8.61 4.98 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.27 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 H 8.39 5.06 0.00 3.04 2.99 0.00 5.77 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 46 V 8.19 4.46 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 1.32 0.00 0.00 47 P 0.00 4.62 0.00 2.17 1.93 0.00 3.69 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 2.14 2.08 0.00 48 S 8.47 4.23 0.00 3.84 3.80 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 0.00 0.00 0.00 49 D 8.93 4.33 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.48 4.09 1.05 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 51 D 8.67 4.64 0.00 2.91 2.96 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 52 R 7.58 5.05 0.00 1.95 1.97 0.00 2.88 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 53 F 7.66 5.51 0.00 3.28 3.35 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 54 Q 10.05 4.56 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.77 0.00 0.00 0.00 0.00 0.00 2.69 2.74 0.00 55 V 8.89 4.88 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 1.06 0.00 0.00 1.12 0.00 0.00 56 D 9.67 5.41 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.01 4.85 0.00 1.71 1.77 0.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 9.37 4.97 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 59 N 8.42 5.20 0.00 2.76 2.75 0.00 0.00 7.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 9.45 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.04 4.70 0.00 3.94 3.89 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 62 S 8.04 4.15 0.00 3.86 3.78 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 63 V 8.25 3.87 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 0.82 0.00 0.00 0.93 0.00 0.00 64 K 7.60 4.33 0.00 1.68 1.63 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.40 7.81 65 P 0.00 4.46 0.00 2.17 2.01 0.00 3.80 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 66 R 9.03 4.02 0.00 1.74 1.76 0.00 3.16 0.00 0.00 3.02 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 67 A 8.56 4.14 1.37 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 0.00 0.00 0.00 68 D 8.75 4.44 0.00 2.62 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.37 4.56 2.09 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 1.25 0.00 0.00 0.91 0.00 0.00 70 A 8.88 4.25 1.57 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 71 F 8.20 4.85 0.00 2.74 2.52 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 72 H 8.83 5.21 0.00 3.43 3.24 0.00 5.65 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.46 4.19 0.00 2.20 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 74 N 7.77 4.67 0.00 2.10 2.23 0.00 0.00 7.06 7.25 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 75 P 0.00 4.00 0.00 0.55 0.71 0.00 2.20 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.80 0.00 76 R 8.45 4.36 0.00 1.38 1.58 0.00 2.86 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.38 0.00 77 F 8.69 4.56 0.00 3.19 3.11 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 78 K 7.89 4.16 0.00 1.82 1.74 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.51 7.81 79 R 8.37 3.84 0.00 1.97 1.61 0.00 3.22 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 80 A 8.69 4.01 1.31 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 0.00 0.00 81 G 9.21 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 C 7.92 4.59 0.00 2.73 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.90 4.34 1.57 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.61 -0.01 0.00 0.00 84 V 8.02 4.25 1.73 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 0.76 0.00 0.00 0.65 0.00 0.00 85 C 8.58 5.52 0.00 3.07 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 86 N 8.02 5.20 0.00 2.60 2.60 0.00 0.00 6.94 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 87 T 8.85 5.43 4.52 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 1.46 0.00 0.00 88 L 8.93 4.56 0.00 0.27 1.11 -0.15 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.21 4.80 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.58 0.90 0.00 0.00 90 N 9.92 3.96 0.00 2.77 2.82 0.00 0.00 7.12 8.40 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 91 E 8.23 3.60 0.00 2.03 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 2.08 2.23 0.00 92 K 7.56 4.46 0.00 1.86 1.64 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.49 7.81 93 W 8.71 4.74 0.00 3.19 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 94 G 8.68 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 0.00 0.00 0.00 0.00 95 R 8.66 4.32 0.00 1.89 1.91 0.00 3.27 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 96 E 8.90 4.40 0.00 1.86 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 2.18 2.29 0.00 97 E 9.43 4.63 0.00 2.26 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 2.28 2.38 0.00 98 I 8.27 4.53 1.52 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.41 -0.03 0.00 0.00 99 T 8.32 4.43 4.11 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 1.21 0.00 0.00 100 Y 8.79 4.20 0.00 2.98 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 0.00 101 D 7.73 4.68 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 7.75 4.29 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 1.21 0.00 0.00 103 P 0.00 4.56 0.00 1.99 2.01 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.71 0.00 104 F 7.66 4.79 0.00 3.06 3.39 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 0.00 105 K 8.62 4.92 0.00 1.98 1.98 0.00 1.57 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.57 7.81 106 R 8.54 3.72 0.00 1.79 1.83 0.00 3.34 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.44 0.00 107 E 8.99 3.98 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 108 K 7.43 4.82 0.00 1.84 1.69 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.55 7.81 109 S 8.69 4.84 0.00 3.82 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.32 5.58 0.00 3.20 3.34 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 0.00 111 E 9.10 5.13 0.00 2.05 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 2.30 2.34 0.00 112 I 9.38 4.83 1.98 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.96 0.73 0.00 0.00 113 V 8.86 4.69 2.09 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 1.06 0.00 0.00 0.94 0.00 0.00 114 I 8.36 5.09 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.10 0.99 0.00 0.00 *116 V 8.09 4.06 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 1.00 0.00 0.00 1.20 0.00 0.00 117 L 8.39 4.88 0.00 1.84 1.53 0.90 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 0.00 118 K 8.65 3.99 0.00 1.66 1.81 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.47 7.81 119 D 7.67 4.70 0.00 2.79 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 0.00 120 K 6.94 4.18 0.00 1.92 1.76 0.00 1.25 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.15 1.27 7.81 121 F 8.55 5.02 0.00 2.50 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 0.00 122 Q 8.69 5.13 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 123 V 9.13 4.91 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 0.66 0.00 0.00 0.97 0.00 0.00 124 A 9.01 5.20 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 0.00 125 V 8.38 4.60 1.84 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 0.51 0.00 0.00 0.84 0.00 0.00 126 N 10.04 3.92 0.00 2.90 2.86 0.00 0.00 6.60 8.51 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 0.00 127 G 8.60 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 0.00 128 K 7.67 4.52 0.00 1.77 1.75 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.34 7.81 129 H 8.95 4.38 0.00 3.13 3.25 0.00 5.91 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 T 8.48 4.55 4.41 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 1.26 0.00 0.00 131 L 7.31 4.52 0.00 1.83 1.79 1.27 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.58 5.41 0.00 1.58 1.63 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 8.86 4.52 0.00 3.23 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.32 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 0.00 135 H 8.28 4.62 0.00 3.14 3.35 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.84 4.57 0.00 1.93 2.03 0.00 3.38 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 137 I 7.72 4.59 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.98 0.00 0.00 138 G 8.74 3.70 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 0.00 0.00 0.00 139 P 0.00 4.31 0.00 2.15 2.05 0.00 3.52 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.47 0.00 140 E 8.05 4.14 0.00 2.09 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 2.28 2.27 0.00 141 K 8.32 4.24 0.00 2.03 1.91 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.42 7.81 142 I 7.61 4.74 2.08 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.70 1.11 0.00 0.00 143 D 9.00 4.91 0.00 2.74 2.80 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 0.00 0.00 0.00 144 T 7.87 5.12 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 145 L 9.20 5.19 0.00 1.96 1.75 1.09 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 146 G 9.55 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 8.31 5.12 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.94 0.94 0.00 0.00 148 Y 9.31 5.06 0.00 2.89 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 0.00 149 G 9.07 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 0.00 150 K 8.38 4.52 0.00 1.70 1.82 0.00 2.00 0.00 0.00 1.77 0.00 0.00 3.23 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.50 7.81 151 V 7.85 4.29 1.49 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 0.47 0.00 0.00 0.16 0.00 0.00 152 N 8.75 4.88 0.00 2.72 2.73 0.00 0.00 6.94 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 0.00 153 I 8.13 4.48 1.74 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 1.25 1.05 0.82 0.00 0.00 154 H 9.15 4.58 0.00 3.08 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 S 7.52 5.01 0.00 3.56 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.56 4.84 1.65 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.39 0.68 0.00 0.00 157 G 8.86 4.38 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 0.00 158 F 8.92 5.47 0.00 3.08 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 0.00 159 S 9.17 4.77 0.00 3.88 3.70 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 0.00 160 G 8.80 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 0.00 0.00 0.00 161 P 0.00 4.26 0.00 2.06 2.28 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.26 0.00 162 S 7.85 4.70 0.00 3.86 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 S 7.86 4.26 0.00 3.89 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 0.00 164 G 8.64 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.