NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3667 8.1749 110.9433 60.4156 68.9481 173.1776 4 P 4.4888 0.0000 0.0000 61.5181 33.4278 174.2119 5 S 4.7423 8.6677 119.5415 58.2900 62.6384 175.5581 *7 E 4.2467 9.0737 119.6023 56.1460 31.0736 176.6486 8 D 4.4523 8.5719 119.0189 57.8177 40.5361 177.8996 9 Y 3.9160 8.3481 116.7866 61.0055 37.7902 178.2243 10 I 3.7483 7.9273 119.9147 64.8013 37.0226 178.0074 11 E 3.9447 7.9990 118.9622 59.2531 29.6250 178.3757 12 Q 4.1020 8.1852 118.5758 59.4798 29.3558 177.9634 13 I 3.9132 9.3420 120.7769 64.3557 36.9589 177.0854 14 Y 4.4393 7.5933 118.0755 58.6145 38.0986 176.7021 *16 L 3.9221 7.7682 118.0265 54.2294 43.9740 177.4874 17 I 4.2091 7.1297 118.4569 63.2473 37.6305 177.1761 18 E 3.4238 7.3922 116.2507 59.0760 30.0655 177.7325 19 E 4.7333 7.4573 120.4922 55.0980 30.5617 177.1055 20 K 4.3669 7.9191 114.8236 54.7299 34.3477 178.1913 21 G 3.1641 8.7652 108.4872 45.7519 0.0000 174.8779 22 Y 4.9504 8.3107 117.6988 56.1876 43.3181 174.8093 23 A 4.8822 8.5634 121.8928 50.5985 21.3168 175.9572 24 R 4.6980 8.5475 119.4886 54.7913 31.4095 177.7816 25 V 3.8495 8.8371 121.6060 66.5147 31.0384 178.4449 26 S 4.1997 8.0039 112.6894 61.2864 63.5671 175.6510 27 D 4.5014 8.6187 122.8998 57.0834 40.5261 178.8671 28 I 3.6543 7.6898 119.5731 64.2746 36.9510 177.9315 29 A 4.3114 7.5952 119.1414 53.2342 17.8566 177.3330 30 E 4.3928 8.2998 117.7857 57.1764 30.8181 177.3792 31 A 3.9777 7.7194 123.9536 55.4999 19.0288 179.2405 32 L 3.9125 7.8191 112.2876 55.2112 42.5560 176.5447 33 A 3.8200 8.0726 121.3861 52.6236 16.1473 176.6077 34 V 4.5916 7.6019 113.7330 59.4347 36.7672 174.6870 35 H 3.8912 8.7391 118.1332 54.7631 28.9467 174.4778 36 P 4.3627 0.0000 0.0000 64.7989 31.7497 177.7737 37 S 4.4767 7.8872 112.3934 58.7513 63.7465 175.6624 38 S 4.4510 8.0433 116.7666 60.0944 62.8038 175.8867 39 V 4.1876 7.7159 120.6875 65.9015 31.5050 177.5408 40 T 4.0867 7.5499 109.3079 64.4125 68.2603 176.0069 41 K 4.1335 7.7731 118.6681 57.6470 31.8918 178.0673 *43 V 4.0352 7.6549 117.9408 62.9350 33.4859 177.1702 44 Q 3.9360 7.7590 119.3906 59.2800 28.8901 177.7049 45 K 4.0541 7.5728 120.8600 59.0875 32.1589 178.8438 46 L 4.2116 7.8672 119.2101 57.6618 41.6048 178.7426 47 D 4.7777 7.9278 118.9781 56.9587 41.0280 178.4954 48 K 4.0531 7.7097 117.4074 59.0881 32.0426 178.0320 49 D 4.5714 7.8759 116.7567 53.3821 40.8650 176.1653 50 E 3.7759 7.7520 117.5034 57.7019 27.6106 175.1787 51 Y 4.5227 7.9801 118.6176 59.6287 38.6537 175.2032 52 L 4.9398 7.3018 117.5824 54.9211 43.5378 173.5288 53 I 4.9908 8.3331 113.4738 59.4007 41.5141 173.2762 54 Y 4.8886 8.4869 123.6966 56.0942 40.1531 174.7773 55 E 4.1379 8.6437 127.9983 54.7823 30.4446 175.8661 56 K 3.3848 8.1146 124.8796 57.8725 32.7176 174.9720 57 Y 4.2828 8.3833 128.2245 58.9548 36.4964 170.8754 58 R 3.5607 7.6612 117.4027 60.3622 30.6343 174.3178 59 G 3.6049 7.5600 102.5928 43.5189 0.0000 172.3293 60 L 4.9097 8.0557 119.7728 55.0352 42.8848 177.1083 61 V 4.6625 8.4872 121.0338 60.1352 35.2053 174.1334 62 L 4.9244 8.6199 122.8232 54.6932 42.7310 177.0148 63 T 4.3922 8.4850 113.0649 60.4459 70.5122 175.7272 64 S 4.1235 8.8306 117.2826 61.9000 62.4476 176.4474 65 K 3.9143 8.1813 122.5542 59.2934 31.9666 178.5385 66 G 3.9753 7.9929 105.7874 48.0075 0.0000 175.5122 67 K 4.1945 8.7805 121.1780 59.1198 31.9874 179.1626 68 K 3.8416 8.5620 120.0647 59.6867 32.2639 178.7206 69 I 3.6659 8.3855 120.4365 64.3378 37.0359 178.8224 70 G 3.0646 8.3755 106.7085 47.5459 0.0000 175.7547 71 K 3.6807 7.7615 123.0725 58.9340 32.1585 178.8215 72 R 3.9126 8.1500 119.3402 59.1606 29.8896 178.5627 73 L 4.2570 7.8176 118.4588 57.8855 41.7898 179.4706 74 V 3.6429 7.7325 118.1661 66.2001 31.4071 177.3031 75 Y 4.1268 8.4044 119.3647 60.8502 38.7032 177.8203 76 R 3.8172 8.7915 119.9948 59.8600 30.0430 177.7925 77 H 4.0078 8.2310 117.5988 59.4444 29.9879 177.1191 78 E 3.9968 8.1230 120.1238 59.2548 29.2373 179.1315 79 L 3.7871 8.2185 120.6671 58.1666 41.9997 179.1193 80 L 4.1668 7.9352 118.8440 57.6894 41.4133 179.4708 81 E 3.9031 8.0546 118.7178 59.2968 29.4895 178.8741 82 Q 3.9385 8.5858 119.9557 59.2949 29.1795 177.9813 83 F 4.2839 8.5863 121.8217 61.5925 39.5032 176.8574 84 L 3.2888 8.0465 118.5999 57.7264 41.4263 179.7789 85 R 3.8305 8.0479 118.5820 59.3324 29.8466 178.3627 86 I 3.7744 8.1393 117.6883 62.9088 38.0557 176.7607 87 I 4.0276 7.1185 111.4680 59.5959 39.1464 174.2578 88 G 3.5092 7.6284 110.3729 45.6719 0.0000 172.2745 89 V 4.2203 7.4568 119.9207 60.7329 34.6484 174.3969 90 D 4.3060 8.7222 125.8136 54.6317 40.9492 177.2299 91 E 3.7011 9.0064 126.1293 59.4739 30.0243 178.9018 92 E 4.0778 8.3694 116.8158 59.6293 29.8641 179.1070 93 K 4.1501 9.1857 118.8554 60.0062 32.0076 179.5898 94 I 3.4159 7.3108 118.1748 64.4857 36.9412 177.1199 95 Y 3.9859 7.9951 119.5057 60.8831 38.8762 177.6450 96 N 4.1941 8.4214 116.8212 56.7490 38.6496 176.8626 97 D 4.1916 8.1768 119.6209 57.4507 41.0313 178.7869 98 V 3.4731 7.6080 118.6391 66.1420 31.1061 177.8284 99 E 4.0490 7.3737 118.7042 58.8799 29.3782 179.3346 100 G 3.6512 7.6010 104.3299 47.3713 0.0000 175.0927 101 I 4.0105 8.1413 115.6374 62.7932 38.0208 177.6634 102 E 3.4890 8.3724 119.1576 59.5453 29.1526 178.2081 103 H 4.6708 7.8789 112.8015 56.2853 28.9538 174.9002 104 H 5.0432 8.7629 117.3079 55.2375 29.4772 173.3542 105 L 4.7342 7.5682 118.1308 52.0008 45.1284 177.4029 106 S 4.2255 8.2535 117.4723 57.8696 65.2675 175.6116 107 W 4.0484 8.5231 122.9119 59.2140 28.7432 178.4003 108 N 4.3706 8.1528 117.3311 56.8533 38.5756 176.8646 109 S 4.0912 7.9818 116.5466 61.6933 62.7262 176.7950 110 I 3.9295 7.8301 121.4095 63.8348 36.9399 178.0758 111 D 4.6102 8.1999 120.3115 57.4817 40.9867 178.9436 112 R 4.4623 8.2767 120.0479 58.7734 30.0178 179.2286 113 I 3.6604 8.3045 120.2079 63.6886 36.9702 178.6794 114 G 3.6673 8.1724 107.1364 47.9261 0.0000 175.6542 115 D 4.6534 8.0456 120.9476 56.7018 40.5566 178.6382 116 L 4.0269 7.7227 120.3716 58.2876 42.6257 178.5138 117 V 3.9440 8.3528 118.5932 66.4113 31.2859 177.3799 118 Q 4.0057 8.9575 119.4183 59.8081 28.7110 178.0303 119 Y 4.1027 8.1016 120.2619 60.8712 39.2399 177.0970 120 F 4.3314 8.6096 117.6195 58.6226 39.5291 178.6707 121 E 3.9738 8.5826 120.5369 59.3875 29.6510 178.8596 122 E 4.0990 8.1675 116.2636 58.5537 29.3334 176.6456 123 D 4.4893 8.4382 117.2338 52.3313 42.3825 176.3369 124 D 4.4615 8.8906 122.3282 57.0239 41.6242 177.1628 125 A 4.0944 8.7159 123.0719 54.8911 19.2065 179.3549 126 R 3.3742 8.3611 116.0229 59.0763 30.1744 178.0299 127 K 5.0730 7.5613 115.2149 57.2006 33.1991 178.0860 128 K 4.2627 9.0694 122.0210 59.4945 32.5413 178.3542 129 D 4.5573 8.2692 118.5847 57.5787 40.7337 178.9119 130 L 4.0351 7.5530 118.9466 58.1302 42.0039 179.0259 131 K 4.0326 8.5159 119.9066 59.3643 31.8384 179.0628 132 S 4.1619 7.8645 114.6644 61.5900 62.9186 176.1533 133 I 3.9133 7.7005 121.6853 64.1591 36.8980 177.9640 134 Q 4.0971 7.7498 119.5496 58.3661 29.6235 177.1666 135 K 4.4286 7.4677 120.4221 55.6909 30.9978 177.0802 136 K 4.1708 7.5581 122.7564 56.8413 33.2164 176.8385 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 T 8.17 4.37 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 4 P 0.00 4.49 0.00 2.30 2.05 0.00 3.76 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 2.01 2.14 0.00 5 S 8.67 4.74 0.00 4.05 3.12 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 *7 E 9.07 4.25 0.00 2.09 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 0.00 2.37 2.42 0.00 8 D 8.57 4.45 0.00 3.10 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 8.35 3.92 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 10 I 7.93 3.75 1.89 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.00 0.82 0.00 0.00 11 E 8.00 3.94 0.00 2.02 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 0.00 2.38 2.42 0.00 12 Q 8.19 4.10 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 13 I 9.34 3.91 2.04 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 1.51 0.92 1.03 0.00 0.00 14 Y 7.59 4.44 0.00 3.28 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 L 7.77 3.92 0.00 1.73 1.78 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.13 4.21 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 1.35 0.93 0.85 0.00 0.00 18 E 7.39 3.42 0.00 1.72 1.74 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 1.69 2.07 0.00 19 E 7.46 4.73 0.00 1.84 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 0.00 2.15 2.25 0.00 20 K 7.92 4.37 0.00 1.59 1.86 0.00 1.91 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.35 7.81 21 G 8.77 3.16 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 0.00 22 Y 8.31 4.95 0.00 2.78 2.92 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 23 A 8.56 4.88 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 24 R 8.55 4.70 0.00 1.97 2.14 0.00 3.16 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.66 0.00 25 V 8.84 3.85 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.96 0.00 0.00 26 S 8.00 4.20 0.00 4.08 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 27 D 8.62 4.50 0.00 3.00 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 28 I 7.69 3.65 2.01 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 1.79 1.28 0.70 0.00 0.00 29 A 7.60 4.31 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.30 4.39 0.00 2.25 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 2.21 2.32 0.00 31 A 7.72 3.98 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 32 L 7.82 3.91 0.00 1.69 1.56 -0.30 0.65 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 33 A 8.07 3.82 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 34 V 7.60 4.59 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.95 0.00 0.00 35 H 8.74 3.89 0.00 3.26 3.27 0.00 5.82 0.00 0.00 0.00 0.00 6.69 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 4.36 0.00 2.23 2.31 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.94 0.00 37 S 7.89 4.48 0.00 4.05 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 38 S 8.04 4.45 0.00 4.13 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 39 V 7.72 4.19 2.32 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 1.05 0.00 0.00 1.12 0.00 0.00 40 T 7.55 4.09 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 1.20 0.00 0.00 41 K 7.77 4.13 0.00 1.96 1.87 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.43 7.81 *43 V 7.65 4.04 2.21 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 0.96 0.00 0.00 1.09 0.00 0.00 44 Q 7.76 3.94 0.00 2.49 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 45 K 7.57 4.05 0.00 1.96 1.73 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.68 1.48 7.81 46 L 7.87 4.21 0.00 1.96 1.84 1.02 0.97 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 47 D 7.93 4.78 0.00 2.85 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 48 K 7.71 4.05 0.00 1.89 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.79 7.81 49 D 7.88 4.57 0.00 2.93 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 50 E 7.75 3.78 0.00 1.90 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 2.14 2.32 0.00 51 Y 7.98 4.52 0.00 3.29 2.98 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 52 L 7.30 4.94 0.00 1.95 1.84 1.05 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.33 4.99 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 1.13 1.03 0.94 0.00 0.00 54 Y 8.49 4.89 0.00 2.93 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.64 4.14 0.00 1.90 1.69 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 2.21 2.18 0.00 56 K 8.11 3.38 0.00 1.39 1.39 0.00 1.30 0.00 0.00 1.45 0.00 0.00 2.67 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.71 0.21 7.81 57 Y 8.38 4.28 0.00 3.14 2.97 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 58 R 7.66 3.56 0.00 1.56 1.72 0.00 3.38 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.66 0.00 59 G 7.56 3.60 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 0.00 0.00 0.00 60 L 8.06 4.91 0.00 2.00 1.74 1.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.49 4.66 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 0.78 0.00 0.00 0.99 0.00 0.00 62 L 8.62 4.92 0.00 1.69 1.77 1.20 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.49 4.39 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 1.29 0.00 0.00 64 S 8.83 4.12 0.00 4.07 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 65 K 8.18 3.91 0.00 1.79 1.97 0.00 1.54 0.00 0.00 1.51 0.00 0.00 2.71 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.46 7.81 66 G 7.99 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 67 K 8.78 4.19 0.00 2.05 2.01 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.72 7.81 68 K 8.56 3.84 0.00 1.82 2.02 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.39 7.81 69 I 8.39 3.67 1.87 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 1.87 1.53 0.89 0.00 0.00 70 G 8.38 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 71 K 7.76 3.68 0.00 1.85 1.88 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.55 7.81 72 R 8.15 3.91 0.00 1.79 1.77 0.00 2.43 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.40 0.00 73 L 7.82 4.26 0.00 2.02 1.82 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.73 3.64 2.32 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 1.13 0.00 0.00 1.21 0.00 0.00 75 Y 8.40 4.13 0.00 3.16 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 76 R 8.79 3.82 0.00 2.23 2.24 0.00 2.79 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 77 H 8.23 4.01 0.00 3.33 3.44 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.12 4.00 0.00 2.06 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 2.40 2.57 0.00 79 L 8.22 3.79 0.00 0.81 1.42 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.94 4.17 0.00 1.85 1.68 0.81 0.77 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 81 E 8.05 3.90 0.00 2.19 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 0.00 2.30 2.34 0.00 82 Q 8.59 3.94 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 83 F 8.59 4.28 0.00 3.09 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 84 L 8.05 3.29 0.00 1.53 1.51 0.81 0.33 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 85 R 8.05 3.83 0.00 1.84 2.14 0.00 3.08 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 86 I 8.14 3.77 1.92 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 1.00 0.00 0.00 87 I 7.12 4.03 1.66 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.68 0.00 0.00 88 G 7.63 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 0.00 0.00 0.00 89 V 7.46 4.22 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 0.76 0.00 0.00 0.81 0.00 0.00 90 D 8.72 4.31 0.00 2.75 2.64 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 91 E 9.01 3.70 0.00 2.02 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 2.38 2.44 0.00 92 E 8.37 4.08 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 2.31 2.34 0.00 93 K 9.19 4.15 0.00 1.76 1.82 0.00 1.70 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 1.44 1.59 7.81 94 I 7.31 3.42 1.97 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.26 0.88 0.00 0.00 95 Y 8.00 3.99 0.00 3.08 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 96 N 8.42 4.19 0.00 2.90 2.88 0.00 0.00 7.08 8.08 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 97 D 8.18 4.19 0.00 2.60 2.64 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 98 V 7.61 3.47 2.04 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 0.59 0.00 0.00 0.92 0.00 0.00 99 E 7.37 4.05 0.00 1.71 1.71 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 1.47 1.50 0.00 100 G 7.60 3.65 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 0.00 0.00 0.00 101 I 8.14 4.01 1.82 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 1.70 0.74 0.94 0.00 0.00 102 E 8.37 3.49 0.00 1.92 2.31 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 2.19 1.94 0.00 103 H 7.88 4.67 0.00 3.08 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.76 5.04 0.00 3.12 3.18 0.00 5.61 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.57 4.73 0.00 1.36 1.34 0.84 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.25 4.23 0.00 4.05 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 W 8.52 4.05 0.00 3.48 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 0.00 108 N 8.15 4.37 0.00 2.88 2.83 0.00 0.00 7.24 7.63 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 0.00 109 S 7.98 4.09 0.00 4.00 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 0.00 110 I 7.83 3.93 1.88 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.17 1.14 0.00 0.00 111 D 8.20 4.61 0.00 3.03 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 0.00 112 R 8.28 4.46 0.00 1.74 1.94 0.00 3.29 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 1.80 1.67 0.00 113 I 8.30 3.66 1.72 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.40 0.21 0.00 0.00 114 G 8.17 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.65 0.00 2.87 2.77 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 0.00 116 L 7.72 4.03 0.00 1.68 1.74 1.23 0.83 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 0.00 117 V 8.35 3.94 2.31 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 1.06 0.00 0.00 1.06 0.00 0.00 118 Q 8.96 4.01 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.33 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 119 Y 8.10 4.10 0.00 2.99 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 0.00 120 F 8.61 4.33 0.00 3.23 3.04 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 0.00 121 E 8.58 3.97 0.00 2.15 2.04 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 2.57 2.75 0.00 122 E 8.17 4.10 0.00 2.02 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 0.00 2.17 2.61 0.00 123 D 8.44 4.49 0.00 2.78 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 0.00 124 D 8.89 4.46 0.00 2.67 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 0.00 125 A 8.72 4.09 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 0.00 126 R 8.36 3.37 0.00 1.64 1.96 0.00 2.38 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.30 0.00 127 K 7.56 5.07 0.00 2.30 2.19 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.67 1.46 7.81 128 K 9.07 4.26 0.00 2.00 1.90 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.68 1.63 7.81 129 D 8.27 4.56 0.00 2.81 2.81 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 0.00 0.00 0.00 130 L 7.55 4.04 0.00 2.04 1.88 1.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.52 4.03 0.00 1.87 1.98 0.00 1.56 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.52 7.81 132 S 7.86 4.16 0.00 4.10 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 0.00 133 I 7.70 3.91 2.03 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 1.72 0.78 0.93 0.00 0.00 134 Q 7.75 4.10 0.00 2.19 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.65 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 135 K 7.47 4.43 0.00 1.89 1.79 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.73 1.62 7.81 136 K 7.56 4.17 0.00 1.68 1.63 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.36 7.81 * Residues marked with a * may have inaccurate shift predictions.