NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.0212 8.1876 121.6821 55.9759 30.9369 177.0931 7 V 3.2466 7.5094 118.2571 64.3534 31.1173 176.9418 8 W 4.3937 7.9530 121.8192 58.6686 29.3078 179.4056 9 A 3.3382 7.1712 120.3390 55.0057 17.5194 179.3653 10 Q 3.8628 7.5813 115.7549 59.2178 28.8256 179.4299 11 K 3.9840 7.7401 118.2527 59.3942 32.1318 179.3836 12 A 3.3298 8.5296 121.4303 54.9730 18.2556 178.7949 13 Y 3.3436 8.0937 118.2747 60.8221 38.6178 178.4894 14 E 3.4803 7.7759 118.8595 59.0258 29.4780 179.3849 15 K 4.0721 7.6877 118.0695 59.6492 32.1455 179.4795 16 V 3.6212 7.7202 118.2896 65.9575 31.2044 177.9016 17 R 3.6646 7.4270 117.3281 59.4883 30.1368 178.0874 18 E 3.9838 8.1920 118.1849 59.2866 29.3875 179.2047 19 A 3.7170 8.1722 121.0413 54.7229 18.0583 179.0217 20 A 4.0657 7.9402 117.5585 53.7003 18.5203 178.6824 21 K 4.3576 7.6992 115.9007 55.4950 32.8685 176.6852 22 G 4.0134 7.1998 108.6349 43.6163 0.0000 173.8274 23 E 4.0557 8.6320 120.1149 59.0057 29.9846 178.1314 24 G 3.9664 7.9421 104.9134 44.6462 0.0000 175.8598 25 R 4.0096 8.0395 119.7003 59.2910 29.3262 177.8275 26 G 3.8669 8.2513 106.6944 47.4258 0.0000 175.1341 27 E 4.0951 8.1352 119.2278 59.2872 29.7009 178.1958 28 Y 4.3368 7.9601 118.6296 60.6679 39.0382 177.9546 29 R 4.2470 8.3980 119.6018 59.5132 30.3591 178.7911 30 D 4.4147 7.9179 114.9943 55.3796 40.6129 178.0718 *32 A 4.2034 7.8858 124.1702 52.2457 20.3464 179.1299 33 L 4.1299 8.2284 114.9527 56.9681 42.2361 178.6702 34 K 4.1581 7.8612 118.4942 57.6906 32.2702 177.9752 35 L 3.8354 7.8512 120.6174 57.8065 41.7353 176.7521 36 P 4.1519 0.0000 0.0000 65.9297 31.3167 178.7229 37 V 3.5203 7.6493 116.0871 65.7652 31.4464 177.8400 38 L 3.8178 7.6680 118.3985 57.6712 41.5713 179.6321 39 V 3.5099 7.9358 118.3540 66.0913 31.2610 178.3243 40 R 3.8869 7.9268 116.7031 59.2364 29.9677 178.8396 41 Q 4.0910 8.4309 116.6926 58.3639 29.1028 177.0708 42 A 4.2978 8.3030 119.8181 51.7742 19.9310 178.1970 43 G 4.0959 7.9701 101.3523 45.3596 0.0000 174.5363 44 L 3.7873 8.4538 120.8786 58.2268 41.9949 179.4525 45 S 4.1937 8.7349 115.2530 61.9364 62.8614 176.8838 46 Q 4.0056 8.1752 119.7881 58.9208 28.5242 178.6213 47 A 4.0221 8.0283 121.7765 55.2141 18.3512 179.7426 48 L 3.9568 8.2122 117.4023 57.8490 41.4537 179.6203 49 A 3.9869 8.1340 120.1024 54.7160 18.5166 179.3461 50 F 4.1207 8.1851 119.5425 61.5748 39.2578 177.6020 51 V 3.5301 8.0021 117.9127 65.9859 31.0907 177.2427 52 D 4.3567 8.1371 116.4762 56.5400 41.1470 177.7499 53 S 4.2619 7.5376 114.6192 61.7413 63.3186 174.6378 54 R 3.9788 7.1055 119.4465 55.1765 31.8026 175.4310 *56 K 4.0604 8.1733 117.2898 56.7256 34.4671 176.3010 57 E 3.9751 8.4507 118.1032 59.7836 29.0290 179.4353 58 A 4.1897 7.8572 119.1923 54.8105 18.3582 179.0131 59 H 4.4446 7.8844 114.8131 59.0201 29.0461 177.8943 60 K 3.9890 8.1538 119.9311 59.0275 31.6851 179.2148 61 A 4.0513 8.1743 121.4671 55.1146 18.3332 179.2314 62 L 3.5632 7.6371 118.3760 58.1617 41.9999 179.5225 63 G 3.4821 7.7676 104.9501 47.9177 0.0000 175.2833 64 N 4.4766 8.5042 119.5551 55.9939 38.5057 177.2775 65 D 4.4997 8.4943 120.7431 57.2235 41.0571 178.5684 66 L 3.6748 7.6810 120.4397 58.0599 42.0114 178.6454 67 A 4.1086 8.0319 120.7049 55.5775 18.2423 179.6967 68 Q 4.8205 8.2839 117.6595 58.7894 28.6200 179.0936 69 V 3.9585 8.0692 118.1272 65.4548 31.6386 177.0332 70 L 4.7456 7.8084 116.2463 54.5942 41.8493 177.1782 71 G 3.8453 8.5376 108.0262 45.4517 0.0000 172.9195 72 Y 4.8850 8.0969 116.9864 55.5678 40.6407 177.3176 73 R 3.9269 9.6696 122.0047 59.1216 30.4592 177.0370 74 D 4.4652 7.7417 115.1122 51.3936 42.7019 175.8886 75 L 3.8448 8.8703 121.1042 58.7381 41.8954 179.0321 76 R 3.8827 8.1802 117.0996 59.4423 30.1483 178.5250 77 E 3.9744 8.0014 118.0717 58.8549 29.5886 178.6493 78 L 2.9280 7.6497 120.2685 57.7755 42.0954 178.7465 79 A 3.9330 8.1328 121.0999 55.1703 18.2748 179.2321 80 E 3.8306 8.1014 117.3560 59.3307 29.6542 178.9379 81 A 4.0284 7.8584 120.2846 54.8916 18.1512 179.5407 82 A 4.0386 7.6343 118.6558 55.3163 18.5698 179.6829 83 R 4.0206 7.9477 115.4889 59.7735 30.3163 178.9963 84 E 4.0694 8.1833 116.4576 57.9607 29.8182 177.8406 85 A 3.9276 7.6404 120.8577 52.8527 18.9980 177.5604 86 E 4.2849 8.6301 122.4016 55.0343 32.1133 177.0383 87 L 3.9182 8.5101 121.3980 58.6965 41.8395 178.6669 88 L 4.0312 7.9310 117.7072 57.9623 41.6727 179.4592 89 Q 4.0380 8.1245 117.3084 59.1408 28.6869 177.9314 90 Y 4.1127 8.5071 120.8130 61.0673 38.8725 178.4956 91 L 3.9288 8.1088 119.6090 57.5551 41.6381 179.6087 92 R 3.8996 8.0335 118.9198 59.2545 30.0131 178.2276 93 L 4.1579 8.5213 120.5129 58.4852 42.0328 179.0130 94 T 3.6601 7.8482 115.7454 66.6949 68.2961 176.7919 95 R 3.9077 7.8644 119.7323 59.1771 30.0066 179.0472 96 E 3.7613 8.1891 118.4300 59.3172 29.5205 179.4647 97 V 3.3817 7.9292 118.6539 65.8490 31.5224 177.8598 98 L 3.8362 7.8130 119.8032 57.8968 42.0821 178.7470 99 A 3.9136 7.9711 120.5895 55.1776 18.3313 179.5210 100 A 4.0049 7.4869 119.1165 55.2050 18.2928 179.6614 101 A 4.0496 8.4040 119.6603 55.3002 18.2950 179.4783 102 E 3.7755 8.1829 117.9126 59.2018 29.6262 179.1492 103 W 3.8419 7.8758 118.0779 59.5189 29.0241 178.5637 104 F 4.1620 8.4439 117.5515 60.3144 38.3884 177.4267 105 K 3.9418 8.4587 119.4523 59.6716 32.0432 178.8261 106 R 3.8223 7.9940 118.1652 59.4997 30.0409 179.2060 107 F 4.6264 8.1355 117.1832 60.6219 38.8765 177.6504 108 A 4.3383 8.5949 120.6651 55.2733 17.9301 179.7649 109 Q 3.9950 8.1080 115.7936 58.9635 28.8568 178.3964 110 A 4.2534 7.9811 120.7926 54.7273 18.8497 178.9520 111 L 4.4001 8.5096 114.8056 54.4946 42.5834 176.9080 112 I 4.6741 6.8246 118.9543 59.3602 40.4448 175.3395 113 E 4.6548 8.6042 121.9043 57.4475 30.3190 176.3793 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 Q 8.19 4.02 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.84 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 7 V 7.51 3.25 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 -0.15 0.00 0.00 0.64 0.00 0.00 8 W 7.95 4.39 0.00 3.44 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 9 A 7.17 3.34 0.04 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 10 Q 7.58 3.86 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 11 K 7.74 3.98 0.00 1.95 1.95 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.77 7.81 12 A 8.53 3.33 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 13 Y 8.09 3.34 0.00 1.82 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 14 E 7.78 3.48 0.00 2.09 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 2.51 0.00 15 K 7.69 4.07 0.00 2.03 2.37 0.00 2.04 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.80 1.97 7.81 16 V 7.72 3.62 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 1.25 0.00 0.00 1.21 0.00 0.00 17 R 7.43 3.66 0.00 1.20 1.69 0.00 3.26 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 18 E 8.19 3.98 0.00 2.09 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 2.23 2.49 0.00 19 A 8.17 3.72 0.31 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 20 A 7.94 4.07 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 21 K 7.70 4.36 0.00 1.91 1.81 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.49 7.81 22 G 7.20 4.01 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 0.00 0.00 0.00 23 E 8.63 4.06 0.00 2.05 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 2.38 2.37 0.00 24 G 7.94 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 0.00 0.00 0.00 25 R 8.04 4.01 0.00 2.09 2.30 0.00 2.82 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 26 G 8.25 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 0.00 0.00 0.00 27 E 8.14 4.10 0.00 2.18 2.17 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 2.41 2.42 0.00 28 Y 7.96 4.34 0.00 3.10 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 29 R 8.40 4.25 0.00 2.08 2.20 0.00 3.24 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 30 D 7.92 4.41 0.00 2.94 2.68 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 *32 A 7.89 4.20 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 33 L 8.23 4.13 0.00 1.62 1.74 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.86 4.16 0.00 1.89 1.81 0.00 1.39 0.00 0.00 1.48 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.32 7.81 35 L 7.85 3.84 0.00 1.69 1.58 0.86 0.85 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 36 P 0.00 4.15 0.00 2.13 2.03 0.00 3.53 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 2.07 2.11 0.00 37 V 7.65 3.52 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 0.83 0.00 0.00 0.87 0.00 0.00 38 L 7.67 3.82 0.00 1.82 1.54 0.44 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.94 3.51 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 0.93 0.00 0.00 0.88 0.00 0.00 40 R 7.93 3.89 0.00 1.76 1.94 0.00 3.17 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 41 Q 8.43 4.09 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 42 A 8.30 4.30 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 43 G 7.97 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 0.00 0.00 0.00 44 L 8.45 3.79 0.00 1.45 1.26 0.79 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.73 4.19 0.00 3.99 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 46 Q 8.18 4.01 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 47 A 8.03 4.02 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 48 L 8.21 3.96 0.00 1.83 1.70 0.84 0.52 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 49 A 8.13 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.19 4.12 0.00 3.26 3.29 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 51 V 8.00 3.53 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 0.92 0.00 0.00 1.04 0.00 0.00 52 D 8.14 4.36 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.54 4.26 0.00 3.81 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.11 3.98 0.00 1.82 2.03 0.00 2.72 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 *56 K 8.17 4.06 0.00 1.53 1.70 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.40 7.81 57 E 8.45 3.98 0.00 2.04 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 2.39 2.43 0.00 58 A 7.86 4.19 1.46 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 0.00 0.00 59 H 7.88 4.44 0.00 3.34 3.27 0.00 5.65 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 60 K 8.15 3.99 0.00 1.81 1.84 0.00 1.65 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.60 7.81 61 A 8.17 4.05 1.60 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 62 L 7.64 3.56 0.00 1.04 1.57 0.56 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.77 3.48 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 0.00 64 N 8.50 4.48 0.00 2.76 2.92 0.00 0.00 7.07 7.77 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 65 D 8.49 4.50 0.00 3.03 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 66 L 7.68 3.67 0.00 1.15 1.59 0.82 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.03 4.11 1.46 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 0.00 0.00 68 Q 8.28 4.82 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 69 V 8.07 3.96 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 1.19 0.00 0.00 1.34 0.00 0.00 70 L 7.81 4.75 0.00 2.16 1.95 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.54 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 72 Y 8.10 4.88 0.00 3.09 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 73 R 9.67 3.93 0.00 1.82 2.05 0.00 3.40 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 74 D 7.74 4.47 0.00 3.09 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 75 L 8.87 3.84 0.00 1.70 1.81 0.85 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.18 3.88 0.00 2.10 1.97 0.00 3.28 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 77 E 8.00 3.97 0.00 2.35 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 2.50 2.40 0.00 78 L 7.65 2.93 0.00 1.49 1.66 0.55 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.13 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.10 3.83 0.00 2.12 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 2.32 2.46 0.00 81 A 7.86 4.03 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 82 A 7.63 4.04 1.43 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 83 R 7.95 4.02 0.00 1.95 2.00 0.00 3.16 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 84 E 8.18 4.07 0.00 1.98 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 2.35 2.58 0.00 85 A 7.64 3.93 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.63 4.28 0.00 2.12 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 2.39 2.43 0.00 87 L 8.51 3.92 0.00 1.80 1.69 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.93 4.03 0.00 1.77 1.75 0.95 0.93 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 89 Q 8.12 4.04 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 90 Y 8.51 4.11 0.00 3.11 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 91 L 8.11 3.93 0.00 1.92 1.72 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.03 3.90 0.00 1.99 2.13 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 93 L 8.52 4.16 0.00 1.82 1.77 0.97 0.83 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 94 T 7.85 3.66 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 1.07 0.00 0.00 95 R 7.86 3.91 0.00 2.03 2.00 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.96 0.00 96 E 8.19 3.76 0.00 2.20 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 2.63 2.58 0.00 97 V 7.93 3.38 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 0.68 0.00 0.00 0.89 0.00 0.00 98 L 7.81 3.84 0.00 1.90 1.69 0.87 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.97 3.91 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 0.00 100 A 7.49 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.40 4.05 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 0.00 102 E 8.18 3.78 0.00 2.10 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 103 W 7.88 3.84 0.00 3.80 3.32 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 0.00 104 F 8.44 4.16 0.00 3.31 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 0.00 105 K 8.46 3.94 0.00 1.93 1.98 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.48 7.81 106 R 7.99 3.82 0.00 1.52 1.64 0.00 3.18 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.36 0.00 107 F 8.14 4.63 0.00 3.21 3.14 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 0.00 108 A 8.59 4.34 1.62 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 0.00 0.00 109 Q 8.11 4.00 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 110 A 7.98 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.51 4.40 0.00 1.72 1.77 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 112 I 6.82 4.67 2.11 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 1.33 0.69 0.97 0.00 0.00 113 E 8.60 4.65 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 2.10 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.