NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.3216 8.5798 109.1554 45.7400 0.0000 172.8393 3 S 4.3610 8.3987 114.2978 54.6793 67.1067 173.4719 4 L 2.9529 7.7711 124.7915 57.7785 41.9123 179.6393 5 A 4.1875 7.9115 119.3071 55.6307 18.1231 179.0637 6 E 4.1283 7.8797 116.3756 59.0293 29.4968 179.3532 7 W 4.1568 8.2178 128.4083 60.7879 30.9331 177.6729 8 Y 4.1394 8.2670 116.3709 61.1655 37.0924 178.4020 9 Q 4.1982 7.6999 116.9391 57.8843 28.9459 177.7661 10 R 4.1779 7.5648 117.7269 55.8342 30.5520 176.4829 11 I 3.7636 6.8035 121.0624 60.1145 37.6950 174.2359 12 P 4.3676 0.0000 0.0000 65.0875 31.5671 177.1392 13 T 4.7254 7.4635 106.5197 58.3451 73.1097 172.6265 14 P 4.1858 0.0000 0.0000 66.2501 31.3748 178.6889 15 D 4.3328 8.0431 116.8745 57.3946 40.7651 178.4410 16 D 4.3290 8.1561 119.5212 57.1968 40.7343 178.5119 17 L 3.9463 8.1373 121.0589 58.3907 42.0179 179.0725 18 T 3.8077 8.1190 115.9236 66.5592 68.3252 176.4349 19 R 3.8275 7.9504 120.4688 59.4437 30.0490 178.7569 20 V 3.2186 7.6707 117.8752 65.8997 31.4911 177.6846 21 E 3.9180 8.3246 118.6544 59.6374 29.2454 179.6785 22 S 4.1339 8.2230 115.1463 61.2989 62.6613 176.3219 23 L 4.0056 7.7880 122.0264 58.3355 41.9385 178.6731 24 F 4.7907 8.1154 116.1113 60.7534 39.2033 177.2154 25 A 4.3390 8.3652 120.2561 55.2473 18.1895 180.2717 26 N 4.4635 8.4646 112.5397 54.2145 37.8844 177.1557 *28 Q 4.1762 8.1094 121.6967 55.9978 30.8822 177.6146 29 A 4.0487 8.1112 119.7606 55.1755 18.5050 178.7512 30 Q 3.9239 7.9774 113.8225 57.9382 29.3546 176.6479 31 F 4.8639 7.4310 115.8045 54.7046 39.4679 173.2339 32 P 4.5807 0.0000 0.0000 64.2421 31.7674 178.0599 33 Q 4.1558 7.9972 115.2074 58.2142 29.0684 176.5155 34 L 4.2966 7.6524 119.1364 54.6470 42.4120 176.4015 35 K 4.5267 9.1002 124.7024 54.6563 34.5199 174.6980 36 L 4.6254 8.6624 129.7966 54.1794 42.6311 175.1780 37 E 4.6951 8.5039 125.6314 54.5221 33.1878 174.9596 38 F 4.6990 8.5620 123.0952 56.5273 41.3586 174.5969 39 K 4.1029 8.1877 125.4489 55.5005 35.9413 176.6929 40 W 3.7220 8.6998 120.7139 57.9722 26.8728 174.1924 41 N 4.1329 8.0070 110.4592 53.9865 37.2336 172.6427 42 Q 4.1658 6.9202 112.3268 52.9976 31.8299 172.3218 43 P 5.3299 0.0000 0.0000 61.7947 33.2972 174.9156 *45 F 5.1889 8.3816 118.0771 57.9173 40.4058 174.7493 46 T 5.0491 9.0572 112.7385 59.9227 72.7684 172.5598 47 D 4.7334 8.8274 121.9695 53.9703 44.0912 175.4575 48 H 4.2036 10.0004 123.8794 56.7547 27.4361 175.0284 49 G 3.9412 8.2522 102.3273 47.0601 0.0000 173.0693 50 T 4.6808 7.5402 108.8682 58.8440 71.4213 173.1455 51 F 4.4325 8.8699 126.2122 58.5794 40.0017 174.5871 52 I 3.8362 7.6071 128.0455 61.8779 39.3481 175.9556 *54 G 3.7161 7.8619 107.6468 46.0979 0.0000 171.7888 55 F 5.7063 8.5001 117.2398 56.0787 43.3954 174.4990 56 N 5.6678 9.4146 119.7218 51.6784 43.2251 172.3416 57 P 5.0698 0.0000 0.0000 62.2781 33.0776 174.9818 58 S 4.6453 8.7149 117.7198 56.8417 66.3163 174.7769 59 K 4.0722 8.6785 120.8650 57.0540 31.3327 174.8115 60 K 4.5220 7.7140 116.0494 56.7215 33.5364 175.3997 61 H 4.8029 7.7839 113.2580 54.1935 31.4523 171.7521 62 L 4.7801 8.4208 122.3720 54.0203 43.2321 175.2959 63 A 4.5933 9.3421 129.1439 50.8000 20.5447 175.7690 64 V 4.5516 8.4340 123.0050 61.4054 33.0223 174.6710 65 A 4.7555 8.5465 131.2619 50.4999 19.9867 176.2034 66 I 4.7208 8.1022 114.7690 58.6139 40.7578 174.9505 67 E 4.2731 8.4637 119.9480 55.4196 30.1672 176.4453 68 P 4.2465 0.0000 0.0000 65.9143 31.7698 178.0347 69 Q 4.1205 8.1201 118.6868 59.4492 29.3967 178.4487 70 T 4.3534 7.6384 111.1011 64.6472 67.8431 176.1907 *72 T 4.2748 8.0117 119.4124 63.7609 70.1990 176.2475 73 R 4.0447 8.2657 119.4081 58.4316 30.2695 177.4369 74 F 4.7570 8.0211 114.9847 56.9114 39.4151 177.2004 75 I 3.6603 7.8091 121.1867 64.2722 36.9498 175.9299 76 P 4.2631 0.0000 0.0000 65.9912 31.1753 178.7164 77 Q 4.1283 8.0552 116.1196 58.7588 28.7384 178.5771 78 I 3.9094 8.4064 121.5291 64.4664 37.1626 178.1612 79 D 4.3990 8.4142 119.9685 57.3280 40.4551 178.7832 80 K 3.9652 7.9815 118.7810 59.3514 32.3030 178.2617 81 A 4.2104 7.9764 119.4403 52.8892 18.3808 177.9043 82 G 3.6456 7.9201 105.2237 46.0346 0.0000 172.8184 83 Y 4.8534 7.3284 115.6219 55.6660 40.2670 175.9174 84 D 4.5589 8.5601 123.4246 54.3634 41.8109 175.2370 85 H 4.9899 7.7696 115.4249 54.1893 31.7758 172.6082 86 S 4.5311 8.2709 113.4002 56.8480 65.2532 173.2030 87 Q 4.5749 8.6878 125.4106 54.0075 31.1370 174.8199 88 I 4.6737 8.1505 115.5551 58.9078 40.6679 174.4942 89 I 4.1414 8.1726 122.7380 59.6378 38.7086 175.4162 90 R 4.0874 8.0689 124.1654 54.9805 30.4565 176.2892 91 F 4.3853 8.2052 122.9514 54.6479 39.0313 173.7611 92 P 4.1909 0.0000 0.0000 61.9717 31.8134 178.2085 93 W 4.4734 8.5446 122.1404 59.9658 29.1204 176.8322 94 H 4.7264 8.3084 110.9047 55.7415 28.6729 174.8136 95 K 4.6507 7.3179 119.0161 53.6182 34.6771 174.2344 96 P 4.2710 0.0000 0.0000 62.9677 31.7598 175.8808 97 L 4.4178 8.2293 123.2403 53.7809 42.7250 176.9567 98 D 4.6181 8.5234 126.4531 53.7714 40.1572 175.8526 99 E 4.0105 8.3826 125.9091 58.3174 29.6988 178.4025 100 Q 3.9208 8.0780 119.8560 58.8644 29.1686 177.4673 101 L 3.9585 8.2694 121.3697 58.4104 42.1645 179.0361 102 I 3.6910 7.6034 119.1287 64.5602 36.9229 177.7663 103 H 4.0514 8.5454 119.3748 59.5943 29.6410 177.0380 104 D 4.4266 8.4252 120.6599 57.2537 40.6059 178.7848 105 L 4.0413 8.2027 119.6714 57.8067 41.5652 179.6194 106 I 3.6614 7.8773 119.3747 64.3086 37.1045 178.2164 107 A 3.9446 8.1830 121.8537 55.4104 18.1667 178.9818 108 Y 4.0375 8.2253 117.9754 61.2765 38.8891 178.5315 109 T 3.7469 8.0954 116.5972 66.4920 68.3022 176.6055 110 I 3.6154 7.7548 121.1299 64.4885 36.9555 177.6019 111 D 4.3789 7.9548 118.5478 57.5771 40.8672 178.3896 112 Q 3.9212 7.7828 117.1477 57.7965 28.8333 177.7268 113 K 4.4093 7.6839 117.9769 55.8251 32.1418 177.9970 114 K 3.7982 7.2771 120.7257 59.4288 32.0235 177.7960 115 D 4.8710 7.7535 114.9660 53.6919 41.3983 176.0735 116 A 4.1403 7.8643 122.8096 52.5993 18.7069 178.5928 117 T 4.5498 8.4611 110.4676 61.3698 69.5545 173.9044 118 T 4.7870 7.3518 110.7414 59.7727 72.1272 173.7621 119 F 3.9593 9.0372 124.6059 60.4934 39.6089 175.4292 120 W 4.9188 7.7781 117.9845 54.3615 31.1104 175.5811 121 Q 4.1264 8.8650 122.4245 56.5246 29.0913 176.5510 122 R 4.4619 8.6058 122.9101 56.4494 30.5722 175.6771 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 G 8.58 4.32 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 0.00 3 S 8.40 4.36 0.00 3.86 3.90 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 4 L 7.77 2.95 0.00 1.10 1.46 0.55 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 5 A 7.91 4.19 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 6 E 7.88 4.13 0.00 2.26 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 0.00 2.36 2.32 0.00 7 W 8.22 4.16 0.00 3.63 3.30 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 8 Y 8.27 4.14 0.00 3.36 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 9 Q 7.70 4.20 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 10 R 7.56 4.18 0.00 1.56 1.80 0.00 3.20 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 11 I 6.80 3.76 1.89 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.15 0.86 0.00 0.00 12 P 0.00 4.37 0.00 2.14 2.07 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 13 T 7.46 4.73 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 14 P 0.00 4.19 0.00 2.16 2.14 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 15 D 8.04 4.33 0.00 2.67 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 16 D 8.16 4.33 0.00 2.84 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 17 L 8.14 3.95 0.00 1.72 1.81 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.12 3.81 4.39 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 1.19 0.00 0.00 19 R 7.95 3.83 0.00 1.88 2.07 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 20 V 7.67 3.22 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 0.44 0.00 0.00 0.83 0.00 0.00 21 E 8.32 3.92 0.00 2.11 1.96 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 2.21 2.43 0.00 22 S 8.22 4.13 0.00 4.04 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 23 L 7.79 4.01 0.00 1.71 1.76 1.06 0.84 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 24 F 8.12 4.79 0.00 3.15 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 25 A 8.37 4.34 1.44 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 0.00 0.00 0.00 26 N 8.46 4.46 0.00 2.96 2.89 0.00 0.00 7.05 7.31 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 *28 Q 8.11 4.18 0.00 2.45 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.68 0.00 29 A 8.11 4.05 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 30 Q 7.98 3.92 0.00 1.87 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.11 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 31 F 7.43 4.86 0.00 2.79 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 32 P 0.00 4.58 0.00 2.03 2.11 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 33 Q 8.00 4.16 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 34 L 7.65 4.30 0.00 1.44 1.46 0.05 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 35 K 9.10 4.53 0.00 1.81 1.66 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.36 7.81 36 L 8.66 4.63 0.00 1.69 1.53 -0.33 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.50 4.70 0.00 1.87 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 2.27 2.25 0.00 38 F 8.56 4.70 0.00 2.87 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 39 K 8.19 4.10 0.00 1.55 0.74 0.00 1.92 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 1.15 7.81 40 W 8.70 3.72 0.00 3.47 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 41 N 8.01 4.13 0.00 3.02 2.91 0.00 0.00 6.56 6.69 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 42 Q 6.92 4.17 0.00 2.37 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 43 P 0.00 5.33 0.00 1.49 1.40 0.00 3.22 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.68 0.00 *45 F 8.38 5.19 0.00 2.86 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 46 T 9.06 5.05 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 1.28 0.00 0.00 47 D 8.83 4.73 0.00 2.57 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 0.00 0.00 0.00 48 H 10.00 4.20 0.00 3.33 3.38 0.00 5.84 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 49 G 8.25 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 50 T 7.54 4.68 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 1.28 0.00 0.00 51 F 8.87 4.43 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.61 3.84 1.73 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.83 0.62 0.00 0.00 *54 G 7.86 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.50 5.71 0.00 2.99 3.28 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 56 N 9.41 5.67 0.00 2.78 2.80 0.00 0.00 6.56 8.16 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 57 P 0.00 5.07 0.00 1.85 1.72 0.00 3.58 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.09 0.00 58 S 8.71 4.65 0.00 3.80 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 59 K 8.68 4.07 0.00 1.80 1.77 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.04 7.81 60 K 7.71 4.52 0.00 2.01 1.91 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 0.96 7.81 61 H 7.78 4.80 0.00 3.31 3.39 0.00 5.25 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.42 4.78 0.00 1.71 1.68 1.20 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 63 A 9.34 4.59 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 64 V 8.43 4.55 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 0.67 0.00 0.00 1.08 0.00 0.00 65 A 8.55 4.76 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 66 I 8.10 4.72 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.73 0.76 0.00 0.00 67 E 8.46 4.27 0.00 2.07 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 2.71 2.41 0.00 68 P 0.00 4.25 0.00 2.01 2.09 0.00 3.65 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 69 Q 8.12 4.12 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 7.18 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 70 T 7.64 4.35 4.37 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 1.02 0.00 0.00 *72 T 8.01 4.27 4.49 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 1.24 0.00 0.00 73 R 8.27 4.04 0.00 2.00 2.15 0.00 3.27 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 74 F 8.02 4.76 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 75 I 7.81 3.66 1.89 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 1.64 0.88 0.95 0.00 0.00 76 P 0.00 4.26 0.00 2.14 2.11 0.00 3.52 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 77 Q 8.06 4.13 0.00 2.42 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 78 I 8.41 3.91 2.05 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 1.60 1.36 1.06 0.00 0.00 79 D 8.41 4.40 0.00 2.88 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 80 K 7.98 3.97 0.00 2.14 2.03 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.33 7.81 81 A 7.98 4.21 1.55 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 0.00 0.00 82 G 7.92 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 83 Y 7.33 4.85 0.00 2.98 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 84 D 8.56 4.56 0.00 2.62 2.44 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 0.00 85 H 7.77 4.99 0.00 3.11 3.19 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.27 4.53 0.00 3.73 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 87 Q 8.69 4.57 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.52 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 88 I 8.15 4.67 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.48 0.92 0.00 0.00 89 I 8.17 4.14 1.80 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 1.29 0.58 0.20 0.00 0.00 90 R 8.07 4.09 0.00 1.56 1.69 0.00 3.02 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 91 F 8.21 4.39 0.00 2.80 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 92 P 0.00 4.19 0.00 1.95 1.88 0.00 3.49 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 1.98 0.00 93 W 8.54 4.47 0.00 3.33 3.21 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 0.00 94 H 8.31 4.73 0.00 3.32 3.50 0.00 5.48 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.32 4.65 0.00 1.65 1.69 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 0.99 7.81 96 P 0.00 4.27 0.00 2.06 2.02 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 97 L 8.23 4.42 0.00 1.56 1.55 0.47 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.52 4.62 0.00 2.84 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 99 E 8.38 4.01 0.00 2.02 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 2.30 2.46 0.00 100 Q 8.08 3.92 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 101 L 8.27 3.96 0.00 1.99 1.97 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.60 3.69 1.77 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.71 0.84 0.00 0.00 103 H 8.55 4.05 0.00 3.30 3.56 0.00 5.78 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 0.00 104 D 8.43 4.43 0.00 2.89 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 0.00 105 L 8.20 4.04 0.00 1.89 1.77 1.01 0.78 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 0.00 106 I 7.88 3.66 1.95 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 1.44 0.85 0.87 0.00 0.00 107 A 8.18 3.94 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 0.00 108 Y 8.23 4.04 0.00 3.04 3.02 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 0.00 0.00 0.00 109 T 8.10 3.75 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 1.19 0.00 0.00 110 I 7.75 3.62 1.96 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 1.35 0.58 0.86 0.00 0.00 111 D 7.95 4.38 0.00 2.74 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 0.00 112 Q 7.78 3.92 0.00 1.74 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 1.41 1.62 0.00 113 K 7.68 4.41 0.00 1.81 1.70 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.48 7.81 114 K 7.28 3.80 0.00 1.77 1.87 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.51 7.81 115 D 7.75 4.87 0.00 2.61 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 0.00 116 A 7.86 4.14 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 0.00 117 T 8.46 4.55 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 1.21 0.00 0.00 118 T 7.35 4.79 4.35 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 1.26 0.00 0.00 119 F 9.04 3.96 0.00 2.85 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 0.00 120 W 7.78 4.92 0.00 3.37 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 0.00 121 Q 8.87 4.13 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 122 R 8.61 4.46 0.00 1.87 1.84 0.00 3.67 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.