NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 G 3.9387 8.3544 109.7882 43.6265 0.0000 173.2673 7 E 5.6920 8.1158 132.4955 54.2608 31.3217 176.0653 8 D 5.0996 8.8984 126.2785 53.5427 39.7784 176.5372 9 E 4.5252 9.0078 119.0674 57.1712 29.4748 178.7340 10 W 4.4168 7.9903 122.4681 59.1769 29.3061 178.5586 11 K 4.2623 8.2952 118.6401 58.8875 31.8321 177.6070 12 V 3.8905 7.5553 117.6529 65.0713 31.7165 175.9884 13 C 4.4807 8.2382 115.9166 57.8865 28.0050 172.6217 14 C 5.4703 8.0117 133.3961 59.1476 32.6560 174.2733 15 G 3.7997 8.3306 116.1616 46.8871 0.0000 171.6557 16 S 4.5743 8.3860 116.6377 57.1911 63.0664 174.8628 17 S 4.2223 9.3189 125.2628 61.6935 62.5438 176.3513 18 E 3.9327 8.2076 121.4820 59.2701 29.2543 178.4385 19 F 4.0476 8.1621 119.1840 61.1252 39.5581 176.5938 20 A 4.0884 8.1543 119.2625 55.0345 18.1944 179.0285 21 K 3.9924 8.4197 118.4353 59.8215 32.0265 180.8090 22 Q 3.8262 7.8492 115.7461 56.3001 28.5471 177.8706 *24 S 4.6177 8.1485 118.6397 58.2453 65.3936 174.8277 25 T 4.6223 7.2619 110.2275 60.9563 67.7875 174.6803 26 S 4.5727 7.4851 116.0624 56.7653 66.3349 174.6902 27 G 3.6362 8.9730 113.5353 45.8006 0.0000 170.9232 28 P 4.1115 0.0000 0.0000 61.5177 31.7917 175.6330 29 L 4.7869 8.1901 121.6861 52.7815 46.2374 175.3185 30 T 3.9890 8.1553 110.0484 61.7213 68.5781 174.8693 31 S 2.7900 8.1117 114.1320 60.2147 61.9637 175.3993 32 Q 3.4660 7.5181 121.9342 58.8160 29.1246 177.3515 33 E 3.8779 7.5944 117.9298 58.9559 29.5415 179.1590 34 A 4.0093 7.5979 120.8000 54.9461 18.3445 179.6623 35 I 3.6502 6.9597 117.9556 64.9479 37.3527 178.2491 36 Y 4.4844 7.2067 117.4919 61.6503 37.5750 178.9667 37 T 4.1024 8.3241 116.1768 65.9021 68.4245 176.9880 38 A 4.0850 7.9057 122.9195 55.2608 18.5265 179.8132 39 R 4.1024 8.3698 116.7467 59.5630 30.0915 178.8849 40 D 4.5367 8.3007 117.4161 57.3975 41.1738 178.3739 41 I 3.7620 7.7682 120.2641 64.0707 36.9014 178.2303 42 W 4.3180 8.5685 128.3119 60.6896 30.7064 177.7012 43 F 4.8357 8.6118 116.0386 59.1062 38.6943 175.9871 44 N 5.0782 8.6406 112.7286 52.5869 40.5420 174.6601 45 Q 4.4433 8.3463 116.2832 57.1633 30.8676 176.9482 46 V 3.7452 7.5202 109.6448 60.8461 32.4934 175.6576 47 N 4.3122 8.4748 121.2026 51.2014 39.0621 176.1258 48 V 2.8764 7.7027 116.7949 66.4093 31.2473 177.8546 49 T 3.8587 7.7852 115.3315 66.6079 68.2359 176.3786 50 D 4.3660 8.1101 120.8981 56.9335 40.8040 178.7337 51 W 3.9804 7.5904 119.0423 59.6946 29.0835 178.3799 52 L 3.8156 7.7414 118.8305 57.4847 40.7795 179.2341 53 E 3.9335 7.8428 118.0298 59.3100 29.5676 178.4526 54 A 4.1624 8.0564 120.7805 55.0830 18.3770 179.7020 55 F 4.5858 7.9920 116.7374 60.9176 38.8441 177.9879 56 S 4.3476 8.0443 111.9229 61.3880 62.6957 175.9418 57 A 4.1511 7.6921 122.2548 53.1651 18.3428 176.8388 58 H 4.9024 7.3962 114.5817 53.2969 30.7467 173.1488 59 P 4.6229 0.0000 0.0000 62.0350 32.4570 176.2335 60 Q 4.1874 8.4602 119.0431 55.8783 29.3226 175.9679 61 I 4.0783 8.1314 120.8173 63.8916 36.7565 175.5454 62 G 3.6822 8.5124 113.6644 45.2419 0.0000 171.9259 63 N 5.2715 8.1506 116.6528 51.5243 42.3110 173.1967 64 T 4.7796 8.1627 108.7402 59.3609 71.5041 172.4624 65 P 4.3234 0.0000 0.0000 65.4719 32.1842 177.7108 *79 S 4.5013 7.7518 114.7336 57.3967 64.4637 175.7778 80 E 4.0875 8.0854 119.1770 58.6127 29.5931 177.8677 81 Q 4.4670 8.0082 117.1341 55.7886 29.4255 177.2747 82 S 4.2520 8.1572 116.0596 62.1369 62.5619 176.6126 83 T 3.8274 7.9128 117.6517 66.1567 68.5747 175.9530 84 A 3.9438 7.8224 121.9243 55.0184 17.8082 179.4152 85 F 4.3592 8.2673 116.0379 60.0375 38.9163 177.1439 86 A 4.5101 8.2881 118.3742 53.0765 18.2523 177.7894 87 T 4.5111 7.3254 103.7747 61.2610 70.8086 173.8427 88 T 4.1906 7.5179 117.2766 62.5070 68.2877 173.3020 89 S 4.6807 8.0956 115.4706 55.8391 66.9046 174.7687 90 A 3.9692 8.7004 125.5436 55.4693 18.0963 180.2015 91 S 3.9964 8.0337 110.8960 61.4654 62.6106 176.1124 92 A 3.9663 7.8825 123.1823 55.2623 18.1487 179.6712 93 L 3.9614 8.1505 117.3811 57.6168 41.4424 179.3569 94 Q 3.9746 7.9487 120.1349 58.9618 29.1161 177.4628 95 E 4.0750 8.3205 119.4090 59.4416 29.5795 179.0575 96 L 3.9291 8.0531 119.8979 58.5067 40.6774 179.1182 97 A 4.0511 7.9188 119.7242 54.7326 18.3098 179.4589 98 E 3.9797 7.9209 117.0475 59.2908 29.9346 179.2274 99 W 4.0091 8.8997 118.9526 59.4718 28.9888 178.4099 100 N 4.5702 8.5612 117.1156 56.1611 38.0315 177.5708 101 V 3.6520 7.3820 117.7453 66.0117 31.6651 178.1044 102 L 3.9839 7.7060 118.4106 57.9900 41.4116 178.9546 103 Y 4.5011 8.8422 119.9816 60.7009 38.8099 177.8396 104 K 4.4972 8.4766 122.1300 58.7487 32.0805 178.7427 105 K 3.9053 7.8264 118.8493 59.3394 32.2622 178.5005 106 K 3.7190 7.7114 118.2720 59.3448 32.2233 178.2601 107 F 4.1674 7.9905 115.8491 57.4444 39.2672 177.1671 108 G 4.0503 9.1309 106.7602 44.9081 0.0000 172.8030 109 F 5.2014 6.8500 113.3252 54.8074 41.1438 173.8992 110 I 4.1777 8.5177 115.0528 60.1234 38.2927 175.3319 111 F 3.6277 8.5396 123.4508 57.8845 39.2149 174.1984 112 I 4.0513 7.3856 128.9127 59.2246 38.8833 174.9536 113 I 4.1044 7.2130 123.3154 59.5056 40.6464 173.3448 114 C 4.0184 9.3221 128.3331 59.1162 31.3088 172.9729 115 A 4.4894 7.9845 130.0197 51.3739 19.6445 174.9697 116 S 4.6615 6.9013 121.9994 58.6801 67.2511 178.2928 117 G 4.0407 8.0179 107.4686 45.2990 0.0000 173.0260 118 R 4.5294 7.6875 118.1173 55.4165 31.1260 176.1835 119 T 4.4389 8.1808 117.4734 62.2264 70.2938 176.0516 120 H 3.8702 8.4598 120.0127 58.8493 29.3512 177.3837 121 A 4.0905 8.0862 122.1650 55.4388 18.4441 180.3165 122 E 3.8702 7.5840 112.5330 56.9964 28.9375 178.8340 *124 L 3.9501 8.0111 123.2527 55.3105 44.0557 178.3314 125 H 3.9419 8.1836 117.5648 59.0691 29.6245 177.1875 126 A 3.9554 8.2365 122.8616 54.6391 18.1594 179.5065 127 L 2.9230 7.2172 118.5202 57.9714 41.9580 178.9459 128 K 3.2245 7.2396 117.0543 59.2825 32.1910 178.5025 129 E 3.9765 7.9631 119.2545 59.5608 29.6442 179.1860 130 R 4.3587 8.3724 119.3657 58.4803 29.9035 178.3207 131 Y 4.5982 8.0277 118.8965 60.4010 38.7727 176.3844 132 E 4.4188 8.0282 117.1725 56.4435 29.5703 176.1014 133 N 4.8587 8.1808 117.8802 52.1669 40.1267 174.8489 134 R 4.2658 8.2922 118.9048 55.4957 32.2381 176.0490 135 P 4.8096 0.0000 0.0000 66.2916 31.5168 178.8467 136 I 3.8852 7.8716 116.7315 64.2196 37.9777 178.2595 137 V 3.8701 7.8740 112.9236 64.3492 31.4644 178.2042 138 E 3.9817 8.5088 118.4684 59.2440 29.0346 179.1401 139 L 4.0525 8.1852 120.3635 57.9008 41.8985 178.8872 140 E 4.0951 7.6459 116.9336 59.1629 29.6304 178.7651 141 I 3.8141 7.6029 118.6294 64.3411 37.4505 177.9827 142 A 3.8026 8.0626 121.4645 54.7730 17.7546 179.7545 143 A 4.0356 6.9847 114.2706 53.3424 18.2043 178.0695 *145 E 4.2114 8.0754 121.5481 57.8245 31.5437 179.0390 146 Q 3.6885 8.0410 117.4531 56.4253 28.6721 177.9885 *148 K 4.2272 8.1914 117.4817 56.0256 34.3184 178.2768 149 I 3.6149 7.6104 119.4175 64.6326 36.6765 178.6389 150 T 3.7589 7.4313 115.2719 66.6610 68.3104 176.2176 151 E 4.1270 7.9628 118.7365 59.3026 29.9303 178.6789 152 L 4.1377 8.0253 120.3567 57.9253 42.4576 178.6374 153 R 4.1230 8.0307 117.7594 56.5878 30.7349 178.5452 *155 A 4.4444 8.0158 123.1835 52.1949 20.5730 179.7274 156 K 4.0515 7.5677 113.8929 58.8894 31.9296 178.3205 157 L 4.1424 7.5254 117.9930 56.5005 41.7434 178.3466 158 F 4.0103 8.0069 115.7935 59.0534 39.4542 177.2088 159 S 4.3755 8.4632 111.7081 59.5411 62.3570 173.4450 160 D 4.5394 7.4075 125.4151 54.7887 40.9402 175.7789 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 6 G 8.35 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 0.00 0.00 0.00 7 E 8.12 5.69 0.00 2.09 1.58 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 1.92 2.27 0.00 8 D 8.90 5.10 0.00 2.99 3.01 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 0.00 0.00 0.00 9 E 9.01 4.53 0.00 1.65 1.83 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 2.49 2.31 0.00 10 W 7.99 4.42 0.00 3.42 3.40 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 11 K 8.30 4.26 0.00 1.79 1.92 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.55 7.81 12 V 7.56 3.89 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 0.81 0.00 0.00 0.93 0.00 0.00 13 C 8.24 4.48 0.00 3.27 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 14 C 8.01 5.47 0.00 2.76 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 15 G 8.33 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 0.00 0.00 0.00 16 S 8.39 4.57 0.00 4.16 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 17 S 9.32 4.22 0.00 4.00 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 18 E 8.21 3.93 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 19 F 8.16 4.05 0.00 3.39 3.37 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 20 A 8.15 4.09 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.42 3.99 0.00 1.91 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.49 7.81 22 Q 7.85 3.83 0.00 1.81 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.34 0.00 0.00 0.00 0.00 0.00 2.32 2.64 0.00 *24 S 8.15 4.62 0.00 4.11 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 25 T 7.26 4.62 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 1.20 0.00 0.00 26 S 7.49 4.57 0.00 3.80 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 27 G 8.97 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 28 P 0.00 4.11 0.00 2.11 2.08 0.00 3.67 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 2.08 2.24 0.00 29 L 8.19 4.79 0.00 1.58 1.50 1.00 0.97 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 30 T 8.16 3.99 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 1.19 0.00 0.00 31 S 8.11 2.79 0.00 3.59 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.52 3.47 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.68 0.00 0.00 0.00 0.00 0.00 2.32 1.90 0.00 33 E 7.59 3.88 0.00 2.03 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 0.00 2.40 2.33 0.00 34 A 7.60 4.01 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 35 I 6.96 3.65 1.60 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 1.52 0.61 0.95 0.00 0.00 36 Y 7.21 4.48 0.00 2.96 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 37 T 8.32 4.10 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 1.17 0.00 0.00 38 A 7.91 4.09 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.37 4.10 0.00 2.14 2.42 0.00 3.38 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.02 0.00 40 D 8.30 4.54 0.00 2.94 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 41 I 7.77 3.76 2.09 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 1.38 0.64 0.94 0.00 0.00 42 W 8.57 4.32 0.00 3.42 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.61 4.84 0.00 3.36 3.17 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 44 N 8.64 5.08 0.00 2.81 2.84 0.00 0.00 6.81 8.26 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 45 Q 8.35 4.44 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 46 V 7.52 3.75 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 0.92 0.00 0.00 0.76 0.00 0.00 47 N 8.47 4.31 0.00 2.71 2.76 0.00 0.00 6.58 7.02 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 48 V 7.70 2.88 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 1.03 0.00 0.00 0.49 0.00 0.00 49 T 7.79 3.86 4.44 0.00 0.00 0.00 0.00 0.00 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 50 D 8.11 4.37 0.00 2.70 2.74 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 51 W 7.59 3.98 0.00 3.17 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.74 3.82 0.00 1.87 1.80 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.84 3.93 0.00 2.01 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 2.55 2.36 0.00 54 A 8.06 4.16 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 55 F 7.99 4.59 0.00 3.19 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.04 4.35 0.00 4.15 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 0.00 57 A 7.69 4.15 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 58 H 7.40 4.90 0.00 3.22 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.62 0.00 2.26 2.10 0.00 3.88 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 2.05 2.04 0.00 60 Q 8.46 4.19 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.13 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 61 I 8.13 4.08 2.03 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 1.39 0.84 0.97 0.00 0.00 62 G 8.51 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 0.00 0.00 0.00 63 N 8.15 5.27 0.00 2.90 2.78 0.00 0.00 6.72 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 64 T 8.16 4.78 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 0.83 0.00 0.00 65 P 0.00 4.32 0.00 2.21 2.23 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 *79 S 7.75 4.50 0.00 3.94 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 80 E 8.09 4.09 0.00 2.05 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 0.00 2.35 2.37 0.00 81 Q 8.01 4.47 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 82 S 8.16 4.25 0.00 4.11 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 0.00 83 T 7.91 3.83 4.31 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 1.22 0.00 0.00 84 A 7.82 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.27 4.36 0.00 3.17 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 86 A 8.29 4.51 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 87 T 7.33 4.51 4.23 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 1.23 0.00 0.00 88 T 7.52 4.19 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 1.43 0.00 0.00 89 S 8.10 4.68 0.00 4.04 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 90 A 8.70 3.97 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 91 S 8.03 4.00 0.00 3.91 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 92 A 7.88 3.97 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 93 L 8.15 3.96 0.00 1.91 1.76 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 7.95 3.97 0.00 2.44 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 95 E 8.32 4.07 0.00 2.11 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 0.00 2.45 2.39 0.00 96 L 8.05 3.93 0.00 2.07 1.70 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.92 4.05 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 98 E 7.92 3.98 0.00 2.18 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 2.24 2.32 0.00 99 W 8.90 4.01 0.00 3.24 3.17 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 0.00 100 N 8.56 4.57 0.00 2.91 2.97 0.00 0.00 6.50 7.38 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 0.00 101 V 7.38 3.65 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.99 0.00 0.00 102 L 7.71 3.98 0.00 1.74 1.46 -0.44 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.84 4.50 0.00 3.39 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 0.00 104 K 8.48 4.50 0.00 2.25 1.91 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.64 1.60 7.81 105 K 7.83 3.91 0.00 1.84 2.02 0.00 1.84 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.43 7.81 106 K 7.71 3.72 0.00 1.52 1.22 0.00 0.90 0.00 0.00 0.61 0.00 0.00 2.46 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.30 0.76 7.81 107 F 7.99 4.17 0.00 2.23 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 0.00 0.00 0.00 108 G 9.13 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 0.00 109 F 6.85 5.20 0.00 3.54 3.46 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 0.00 110 I 8.52 4.18 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 1.09 0.00 0.00 111 F 8.54 3.63 0.00 1.88 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 0.00 112 I 7.39 4.05 1.31 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 1.16 0.20 0.63 0.00 0.00 113 I 7.21 4.10 1.05 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 1.15 0.42 0.73 0.00 0.00 114 C 9.32 4.02 0.00 2.80 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 0.00 115 A 7.98 4.49 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 0.00 116 S 6.90 4.66 0.00 3.78 3.75 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 0.00 117 G 8.02 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 0.00 118 R 7.69 4.53 0.00 1.74 1.81 0.00 3.33 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 119 T 8.18 4.44 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 120 H 8.46 3.87 0.00 3.03 3.28 0.00 5.90 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 0.00 121 A 8.09 4.09 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 0.00 122 E 7.58 3.87 0.00 2.03 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 2.29 2.21 0.00 *124 L 8.01 3.95 0.00 1.78 1.81 0.66 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 125 H 8.18 3.94 0.00 3.21 3.43 0.00 5.84 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 0.00 126 A 8.24 3.96 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.22 2.92 0.00 0.27 1.16 0.89 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.24 3.22 0.00 1.41 1.36 0.00 1.31 0.00 0.00 1.15 0.00 0.00 2.67 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 129 E 7.96 3.98 0.00 2.11 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 2.27 2.38 0.00 130 R 8.37 4.36 0.00 2.19 2.47 0.00 3.30 0.00 0.00 3.66 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.67 0.00 131 Y 8.03 4.60 0.00 3.36 3.40 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 0.00 132 E 8.03 4.42 0.00 2.27 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 2.40 2.39 0.00 133 N 8.18 4.86 0.00 2.97 2.79 0.00 0.00 7.02 7.43 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 0.00 134 R 8.29 4.27 0.00 1.94 1.91 0.00 3.18 0.00 0.00 3.38 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 135 P 0.00 4.81 0.00 2.24 2.24 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.87 0.00 136 I 7.87 3.89 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.33 0.99 0.00 0.00 137 V 7.87 3.87 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 0.81 0.00 0.00 1.08 0.00 0.00 138 E 8.51 3.98 0.00 1.83 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 1.83 1.47 0.00 139 L 8.19 4.05 0.00 2.25 2.17 1.40 1.27 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 0.00 140 E 7.65 4.10 0.00 2.30 2.05 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 2.57 2.51 0.00 141 I 7.60 3.81 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.63 0.87 0.00 0.00 142 A 8.06 3.80 0.50 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 0.00 0.00 143 A 6.98 4.04 0.05 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 *145 E 8.08 4.21 0.00 1.93 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 2.34 2.16 0.00 146 Q 8.04 3.69 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.27 6.39 0.00 0.00 0.00 0.00 0.00 2.12 1.28 0.00 *148 K 8.19 4.23 0.00 1.97 1.82 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.45 7.81 149 I 7.61 3.61 1.87 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.79 0.84 0.00 0.00 150 T 7.43 3.76 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 1.05 0.00 0.00 151 E 7.96 4.13 0.00 2.11 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 2.35 2.36 0.00 152 L 8.03 4.14 0.00 1.91 1.75 0.90 0.85 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 0.00 153 R 8.03 4.12 0.00 2.03 1.90 0.00 3.18 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 *155 A 8.02 4.44 1.42 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 0.00 0.00 0.00 156 K 7.57 4.05 0.00 1.80 2.02 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.48 7.81 157 L 7.53 4.14 0.00 1.49 1.21 0.49 0.78 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 0.00 158 F 8.01 4.01 0.00 3.03 3.08 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 0.00 0.00 0.00 0.00 159 S 8.46 4.38 0.00 3.98 3.88 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 0.00 160 D 7.41 4.54 0.00 2.50 2.47 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 * Residues marked with a * may have inaccurate shift predictions.