NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.4593 8.2393 117.2970 55.8252 30.3583 177.5372 6 Y 4.8886 8.3028 109.5089 54.8066 41.8409 172.0550 7 Y 4.2535 8.8562 121.9085 55.8539 41.1365 174.8475 8 E 5.0162 7.9719 127.2273 54.4830 32.0023 173.9601 9 Y 4.7020 9.0268 128.1725 55.9055 41.3614 174.1692 10 R 4.6607 8.0608 125.3978 54.7772 32.4636 175.2204 11 H 4.5119 8.5479 122.0453 54.4759 33.8833 171.8860 12 V 4.4215 7.5864 124.6049 60.6977 33.0026 175.3743 13 V 3.6963 8.1398 129.0823 63.3402 32.4574 175.7778 14 G 3.4994 8.6011 115.0539 44.1876 0.0000 174.5585 15 F 4.6074 8.3531 117.7640 60.4709 39.0478 177.7701 16 E 4.0848 8.2670 119.9181 58.5308 29.7275 176.8397 17 E 4.3903 8.1011 116.9864 56.7126 30.0363 176.2271 18 T 4.8279 7.6665 109.8202 61.0228 70.2565 173.7141 19 N 4.9745 8.7481 120.7814 50.7508 39.8713 175.4861 20 L 3.9949 8.4605 117.1761 58.0438 41.6130 179.1559 21 V 3.6555 7.8048 116.5657 64.2449 31.6697 176.5831 22 G 4.0560 8.4517 107.3054 45.4894 0.0000 173.0560 23 N 5.1629 8.5715 117.9652 51.0090 41.0357 172.9847 24 V 4.6387 8.2188 118.7600 61.7914 32.8457 175.7962 25 Y 4.2233 8.8392 129.3320 57.8357 39.2517 176.0794 26 Y 3.9096 8.4456 126.2600 60.6108 37.5612 178.9115 27 V 3.1174 5.6340 118.8340 65.6687 31.3814 177.5248 28 N 3.8728 7.8878 116.0665 56.1509 37.9302 176.8793 29 Y 3.6813 7.4877 117.5309 60.8380 37.6902 178.2065 30 L 4.1500 7.7900 119.8833 57.5735 41.6443 179.6655 31 R 3.8604 7.4887 117.7753 58.9814 30.0034 178.9263 32 W 4.3554 8.0793 118.7259 59.5904 28.9484 178.6936 33 Q 3.4811 7.8299 117.9131 58.4723 27.9339 178.8073 34 G 3.5172 7.8017 106.2691 47.6694 0.0000 175.4510 35 R 3.7088 7.9533 121.5644 59.0728 30.0391 177.9797 36 C 3.9867 7.9642 118.9291 62.6036 31.7335 175.8051 37 R 4.1046 8.5679 118.0164 59.4734 28.9041 178.6140 38 E 4.0829 8.5265 119.4449 59.3394 29.4566 179.0617 39 M 4.2060 8.3878 118.8644 57.8459 32.0327 178.5921 40 F 2.9369 8.0229 121.2266 60.7693 39.4992 177.1365 41 L 3.5862 7.7847 118.3511 57.7713 41.2001 178.7323 42 Y 4.0599 7.8898 118.3351 60.9640 38.7907 177.8449 43 E 3.8724 8.0873 117.8704 58.3965 29.8152 177.7642 44 H 4.6616 7.9389 113.2363 55.1916 31.4033 174.7215 45 A 4.5336 7.9889 125.3488 48.5081 19.5634 175.9165 46 P 4.2174 0.0000 0.0000 66.3696 31.5705 177.5128 47 E 4.2268 8.1137 117.2932 58.7209 29.2314 178.8536 48 I 3.7553 7.8638 120.4853 64.0576 36.9835 177.8491 49 L 3.9685 7.9740 121.4188 58.3777 41.6679 178.8288 50 D 4.3616 7.7079 117.2754 57.2822 40.9598 178.4033 51 E 4.1377 7.9763 118.7785 59.4077 29.4086 179.1199 52 L 4.4431 7.9986 119.6322 57.2660 41.7759 179.2730 53 R 4.1395 8.1836 115.9434 55.5875 30.3363 177.4295 54 A 4.3640 8.3070 120.3273 52.4543 18.5449 177.0302 55 D 4.8877 9.0101 124.1226 52.4805 42.0567 176.4884 56 L 4.7866 7.8780 122.2388 55.3043 43.7649 175.5225 57 K 4.6730 9.3795 123.6681 54.9240 36.7244 175.4757 58 L 4.9336 8.7132 124.9555 53.2570 42.3756 174.8679 59 F 4.3814 9.1021 127.3701 57.3775 40.8360 174.5062 60 T 4.6262 7.9684 123.5169 63.4903 68.2132 174.5652 61 L 4.6682 9.1697 127.8329 56.6284 42.9863 177.2962 62 K 4.7364 7.8658 117.9551 55.1999 35.7834 174.5648 63 A 5.3143 8.4608 127.5178 50.5841 22.1622 175.0041 64 E 4.7613 9.2323 119.2831 55.6766 33.6209 173.6943 65 C 4.9019 8.2711 119.5018 58.2564 34.8391 172.5614 66 E 4.4097 8.7765 125.4303 54.4264 31.8504 174.7321 67 F 4.4287 8.3471 121.7834 55.7252 40.5736 175.1660 68 F 5.1259 8.8126 121.9040 58.2352 41.0390 175.2052 69 A 4.7428 7.8888 118.8269 50.9517 22.3162 174.3308 70 E 4.7361 8.5682 118.0979 55.1546 31.3452 176.0454 71 L 4.8659 8.4314 120.5529 52.9814 44.8648 175.4915 72 A 4.9723 9.0127 123.7960 49.0574 21.8743 174.3066 73 P 4.2543 0.0000 0.0000 64.4367 31.5286 176.4451 74 F 3.5961 8.5847 119.4448 58.1315 37.0275 174.9822 75 D 4.6362 7.6803 120.3085 54.4148 42.2723 175.4726 76 R 4.5964 8.3959 120.1550 54.8773 31.8842 175.1364 77 L 5.1570 8.8771 126.0510 53.0009 45.6003 174.7375 78 A 4.8203 8.8445 126.0408 50.0392 22.1226 174.9700 79 V 4.5177 9.0474 123.5502 61.2936 33.8405 174.5415 80 R 5.0262 8.8424 128.0806 54.7494 32.1430 174.8194 81 M 4.8192 9.1818 124.7343 53.8475 34.7240 174.8317 82 R 4.9247 8.3399 123.0830 54.1735 35.2043 174.1211 83 L 4.1433 8.2230 123.9150 54.6714 41.8031 176.5521 84 V 3.9130 8.6325 128.0332 65.2354 32.4115 175.8822 85 E 4.7266 7.6490 119.0998 54.7286 33.2474 173.7996 86 L 5.0055 8.4025 126.8025 53.4554 44.9757 175.4876 87 T 4.8958 8.2402 118.0313 60.1206 71.3953 173.4586 88 Q 4.1574 8.7352 118.4942 59.2122 29.0498 177.3023 89 T 4.9517 7.7382 103.8868 59.9147 70.8160 173.3866 90 Q 5.2146 8.4354 120.8488 54.7192 33.7530 173.9679 91 M 5.1152 8.9788 118.9922 53.7362 36.8962 173.8845 92 E 5.0421 9.1530 123.9216 54.4080 32.3631 174.4515 93 L 4.9409 9.2001 127.0908 52.7731 45.0811 175.5677 94 G 4.4221 8.5789 110.0101 44.3928 0.0000 172.1758 95 F 5.4005 9.3473 121.8601 55.5849 42.6946 173.5175 96 D 5.3674 9.0697 123.9111 52.7982 43.5284 174.8844 97 Y 5.1225 9.3341 121.1197 56.3957 40.2963 174.6319 98 L 5.3166 9.0500 124.9115 52.8448 45.3550 175.5491 99 R 4.6862 9.0593 124.6922 55.4361 31.2438 175.5437 100 L 5.1754 8.9971 127.0249 53.1840 42.7896 177.8196 101 G 3.6682 9.3471 108.1352 46.5113 0.0000 173.0949 102 G 3.3295 6.9338 103.8448 46.9040 0.0000 172.4970 103 D 4.8814 7.7025 118.1850 51.0284 44.5013 175.7490 104 D 5.3576 8.5864 125.7429 54.1886 42.3569 174.9255 105 L 4.9150 8.3257 122.9481 53.0036 45.7417 175.0233 106 L 4.8441 8.7619 128.1484 55.4167 41.9397 176.4334 107 V 4.4955 9.1363 120.5471 62.0317 33.3429 175.5735 108 A 3.8693 7.8883 120.3025 51.2323 22.6065 175.0106 109 R 5.2224 7.9319 119.0034 55.3378 34.1284 174.2524 110 G 4.7240 9.9410 112.5108 45.1097 0.0000 170.9403 111 R 5.5938 8.8912 116.8289 55.1336 35.1620 174.7910 112 Q 5.2114 9.2075 119.2264 54.4990 33.9460 173.8268 113 R 5.1007 9.0170 122.1364 54.6625 33.3601 174.2019 114 I 5.2358 9.1841 126.2579 59.4840 41.1729 174.1153 115 A 5.1932 9.3954 127.7866 50.4366 21.9326 175.0746 116 C 5.0186 8.7065 119.3060 59.1311 30.1798 172.9870 117 M 5.3889 9.1414 121.7656 54.1354 36.8980 174.1680 118 R 5.8005 8.7283 118.1026 54.6673 34.9687 174.1646 119 G 4.5321 9.0033 106.5968 43.3209 0.0000 172.1596 120 P 4.3486 0.0000 0.0000 61.8072 31.9597 175.8614 121 N 4.3447 8.6743 118.4345 56.1241 38.5756 174.6484 122 G 4.1633 9.2742 111.8615 44.9985 0.0000 173.3383 123 R 4.8286 8.6806 120.1944 55.9180 30.7647 175.8392 124 T 4.9261 8.0235 108.1240 60.6801 71.1656 173.8490 125 E 4.7903 8.8699 119.8879 53.8573 33.4212 173.0345 126 P 4.9075 0.0000 0.0000 63.0995 32.3828 175.9517 127 V 4.6338 8.6927 115.7460 59.1276 36.0077 175.3717 128 R 4.4067 8.5340 121.1228 56.0026 30.8384 176.8876 129 V 3.6234 8.3679 122.8772 62.8865 32.2093 174.1693 130 P 4.1783 0.0000 0.0000 63.2015 32.0663 176.6356 131 A 4.1264 9.1255 124.7458 55.6292 18.1295 180.0726 132 G 3.5763 8.0854 103.3449 47.8947 0.0000 175.7903 133 L 4.0160 7.8938 120.8374 57.5083 41.5639 179.4123 134 V 3.7989 7.6222 116.9557 66.3501 31.8133 177.9954 135 R 4.0794 8.2885 117.5014 59.2113 29.6536 178.9176 136 A 3.9739 7.9227 119.7807 54.9874 18.6535 179.0832 137 F 4.7291 8.5101 114.7049 58.5872 38.9231 177.4592 138 A 3.9790 7.5326 122.0721 54.9239 18.0522 177.0364 139 P 4.3664 0.0000 0.0000 63.6399 31.9988 176.4505 140 F 5.1683 8.2411 118.6033 57.7240 40.0831 176.6997 141 R 4.4247 8.0186 121.0162 56.9426 27.8943 177.6559 *142 S 4.2715 7.7073 117.6474 58.3569 62.9869 175.5586 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 5 R 8.24 4.46 0.00 1.84 1.43 0.00 3.19 0.00 0.00 3.17 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.19 0.00 6 Y 8.30 4.89 0.00 3.10 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 7 Y 8.86 4.25 0.00 2.05 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 8 E 7.97 5.02 0.00 2.18 1.70 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 2.09 2.22 0.00 9 Y 9.03 4.70 0.00 3.20 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 10 R 8.06 4.66 0.00 1.49 1.57 0.00 3.12 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.42 0.00 11 H 8.55 4.51 0.00 2.43 2.33 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.59 4.42 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 0.71 0.00 0.00 0.81 0.00 0.00 13 V 8.14 3.70 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 0.87 0.00 0.00 0.86 0.00 0.00 14 G 8.60 3.50 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 0.00 15 F 8.35 4.61 0.00 3.25 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 16 E 8.27 4.08 0.00 1.98 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 2.32 2.34 0.00 17 E 8.10 4.39 0.00 2.28 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 2.50 2.33 0.00 18 T 7.67 4.83 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 1.41 0.00 0.00 19 N 8.75 4.97 0.00 3.02 3.20 0.00 0.00 7.27 6.32 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 20 L 8.46 3.99 0.00 1.67 1.79 0.91 0.84 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 21 V 7.80 3.66 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 0.80 0.00 0.00 0.96 0.00 0.00 22 G 8.45 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 23 N 8.57 5.16 0.00 2.81 2.88 0.00 0.00 6.71 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 24 V 8.22 4.64 2.36 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 0.82 0.00 0.00 1.12 0.00 0.00 25 Y 8.84 4.22 0.00 2.88 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 26 Y 8.45 3.91 0.00 2.29 2.56 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 27 V 5.63 3.12 1.76 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 0.88 0.00 0.00 -0.10 0.00 0.00 28 N 7.89 3.87 0.00 2.27 1.79 0.00 0.00 6.95 6.81 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 29 Y 7.49 3.68 0.00 3.10 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 30 L 7.79 4.15 0.00 1.80 1.65 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.49 3.86 0.00 1.70 1.86 0.00 3.16 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 32 W 8.08 4.36 0.00 3.72 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 33 Q 7.83 3.48 0.00 1.79 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.88 2.44 0.00 34 G 7.80 3.52 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 0.00 0.00 0.00 35 R 7.95 3.71 0.00 1.89 1.60 0.00 3.04 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 0.00 36 C 7.96 3.99 0.00 3.09 3.22 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 37 R 8.57 4.10 0.00 2.20 2.52 0.00 2.96 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.76 0.00 38 E 8.53 4.08 0.00 2.22 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 2.34 2.40 0.00 39 M 8.39 4.21 0.00 2.35 2.36 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.82 0.00 40 F 8.02 2.94 0.00 2.15 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 L 7.78 3.59 0.00 1.96 1.66 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 7.89 4.06 0.00 2.89 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 43 E 8.09 3.87 0.00 1.81 1.76 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 2.42 2.74 0.00 44 H 7.94 4.66 0.00 2.06 2.93 0.00 5.66 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.99 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.22 0.00 2.17 2.29 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.87 0.00 47 E 8.11 4.23 0.00 2.04 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 2.37 2.43 0.00 48 I 7.86 3.76 1.96 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 1.50 0.98 0.94 0.00 0.00 49 L 7.97 3.97 0.00 1.79 1.80 0.94 1.27 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 50 D 7.71 4.36 0.00 2.86 2.72 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 51 E 7.98 4.14 0.00 2.18 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 2.56 2.35 0.00 52 L 8.00 4.44 0.00 1.76 1.75 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.18 4.14 0.00 1.92 1.99 0.00 3.16 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 54 A 8.31 4.36 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 55 D 9.01 4.89 0.00 2.69 2.85 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 56 L 7.88 4.79 0.00 1.83 1.63 1.04 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.38 4.67 0.00 1.72 1.72 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.45 7.81 58 L 8.71 4.93 0.00 1.57 1.70 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 59 F 9.10 4.38 0.00 3.15 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 60 T 7.97 4.63 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 1.25 0.00 0.00 61 L 9.17 4.67 0.00 1.68 1.82 0.97 0.80 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 62 K 7.87 4.74 0.00 1.84 1.63 0.00 1.73 0.00 0.00 2.03 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.47 7.81 63 A 8.46 5.31 1.17 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 0.00 0.00 64 E 9.23 4.76 0.00 2.01 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 2.38 2.25 0.00 65 C 8.27 4.90 0.00 2.75 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 0.00 0.00 0.00 0.00 66 E 8.78 4.41 0.00 1.51 1.54 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 2.18 2.18 0.00 67 F 8.35 4.43 0.00 2.60 2.59 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 0.00 0.00 0.00 0.00 68 F 8.81 5.13 0.00 2.95 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 69 A 7.89 4.74 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 70 E 8.57 4.74 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 2.28 2.36 0.00 71 L 8.43 4.87 0.00 1.90 1.66 1.08 0.94 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 72 A 9.01 4.97 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 73 P 0.00 4.25 0.00 2.25 2.18 0.00 3.97 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 2.16 2.23 0.00 74 F 8.58 3.60 0.00 3.11 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 75 D 7.68 4.64 0.00 2.69 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 76 R 8.40 4.60 0.00 1.70 1.75 0.00 3.01 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 77 L 8.88 5.16 0.00 1.39 1.18 1.06 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.84 4.82 1.10 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 79 V 9.05 4.52 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 0.80 0.00 0.00 0.88 0.00 0.00 80 R 8.84 5.03 0.00 1.47 1.29 0.00 2.65 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.29 0.00 81 M 9.18 4.82 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.10 0.00 82 R 8.34 4.92 0.00 1.69 1.73 0.00 3.19 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.57 0.00 83 L 8.22 4.14 0.00 1.32 1.61 0.39 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.63 3.91 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 0.73 0.00 0.00 0.87 0.00 0.00 85 E 7.65 4.73 0.00 2.00 1.65 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 2.24 2.27 0.00 86 L 8.40 5.01 0.00 1.44 1.43 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.24 4.90 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 88 Q 8.74 4.16 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 89 T 7.74 4.95 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 1.24 0.00 0.00 90 Q 8.44 5.21 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 91 M 8.98 5.12 0.00 1.66 1.83 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 92 E 9.15 5.04 0.00 2.00 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 2.17 2.25 0.00 93 L 9.20 4.94 0.00 1.43 0.96 1.03 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.58 4.42 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 0.00 95 F 9.35 5.40 0.00 2.91 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 96 D 9.07 5.37 0.00 2.52 2.59 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 0.00 0.00 0.00 0.00 97 Y 9.33 5.12 0.00 3.08 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 98 L 9.05 5.32 0.00 1.51 1.53 0.84 0.58 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 99 R 9.06 4.69 0.00 1.92 1.84 0.00 3.19 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 100 L 9.00 5.18 0.00 1.48 1.54 0.84 0.93 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 0.00 101 G 9.35 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 0.00 102 G 6.93 3.33 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 0.00 103 D 7.70 4.88 0.00 2.60 2.53 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 0.00 104 D 8.59 5.36 0.00 2.64 2.57 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 0.00 105 L 8.33 4.91 0.00 1.75 1.50 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.76 4.84 0.00 1.76 1.68 1.16 1.04 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 0.00 107 V 9.14 4.50 2.29 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 0.82 0.00 0.00 1.21 0.00 0.00 108 A 7.89 3.87 0.49 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 0.00 109 R 7.93 5.22 0.00 2.17 1.91 0.00 3.23 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 110 G 9.94 4.72 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 0.00 111 R 8.89 5.59 0.00 1.78 1.96 0.00 3.43 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 112 Q 9.21 5.21 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 113 R 9.02 5.10 0.00 1.99 1.78 0.00 3.05 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 114 I 9.18 5.24 1.94 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 1.23 0.63 1.01 0.00 0.00 115 A 9.40 5.19 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 0.00 116 C 8.71 5.02 0.00 3.14 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 0.00 117 M 9.14 5.39 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 118 R 8.73 5.80 0.00 1.73 1.92 0.00 3.13 0.00 0.00 3.57 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 119 G 9.00 4.53 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 0.00 120 P 0.00 4.35 0.00 2.20 1.99 0.00 3.63 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 2.12 2.11 0.00 121 N 8.67 4.34 0.00 2.71 2.84 0.00 0.00 7.24 7.65 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 0.00 122 G 9.27 4.16 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 0.00 123 R 8.68 4.83 0.00 1.84 1.89 0.00 3.17 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 124 T 8.02 4.93 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 1.28 0.00 0.00 125 E 8.87 4.79 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 2.17 2.27 0.00 126 P 0.00 4.91 0.00 1.95 2.01 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 127 V 8.69 4.63 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 0.98 0.00 0.00 0.96 0.00 0.00 128 R 8.53 4.41 0.00 1.71 1.88 0.00 3.24 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 129 V 8.37 3.62 2.13 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 0.84 0.00 0.00 1.03 0.00 0.00 130 P 0.00 4.18 0.00 2.26 2.03 0.00 3.75 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 2.17 2.16 0.00 131 A 9.13 4.13 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 0.00 132 G 8.09 3.58 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 0.00 0.00 0.00 133 L 7.89 4.02 0.00 2.04 2.01 1.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.62 3.80 2.30 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 0.89 0.00 0.00 1.01 0.00 0.00 135 R 8.29 4.08 0.00 2.05 1.95 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 1.66 1.82 0.00 136 A 7.92 3.97 1.21 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 0.00 0.00 137 F 8.51 4.73 0.00 3.30 3.10 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 0.00 138 A 7.53 3.98 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 0.00 139 P 0.00 4.37 0.00 1.56 1.87 0.00 3.61 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 0.75 1.51 0.00 140 F 8.24 5.17 0.00 3.27 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 0.00 141 R 8.02 4.42 0.00 1.83 1.94 0.00 3.41 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 *142 S 7.71 4.27 0.00 3.60 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 * Residues marked with a * may have inaccurate shift predictions.