NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4007 8.3049 120.3425 55.5485 33.4283 174.4599 2 K 3.8938 7.7542 116.9864 54.2729 35.5498 174.0102 3 T 4.2345 7.6826 112.0175 61.0719 70.9788 176.1272 4 Y 3.4160 7.9559 115.2813 60.0986 39.4002 172.3305 5 V 3.3068 12.0000 117.9741 58.8542 32.0400 174.0317 6 P 4.6147 0.0000 0.0000 61.7290 32.7561 175.1405 7 K 4.3964 8.0175 118.1595 54.8312 34.0169 176.2084 8 Q 4.0218 8.4656 118.8901 56.6658 28.7420 176.7557 9 V 3.9076 8.2114 122.9871 62.0512 32.5498 174.7159 10 E 4.3982 8.5667 126.9797 53.9044 29.9095 174.2152 11 P 4.4381 0.0000 0.0000 63.2635 32.0012 175.3675 12 R 4.5683 8.7109 122.8401 55.0147 32.3053 174.8807 13 W 4.9050 8.9087 126.0098 55.2721 30.6932 175.0961 14 V 4.5646 8.1682 125.0563 61.8619 32.9643 174.3842 15 L 5.2348 8.8618 128.0519 53.3898 45.4344 175.2720 16 I 4.5353 8.6376 125.6038 59.7595 41.2188 174.0035 17 D 5.0746 8.9478 130.0569 53.1166 39.5311 174.9460 18 A 4.0970 8.9410 128.0778 54.6256 20.3249 182.2974 19 E 3.4914 8.0716 110.4275 57.3539 30.7111 175.5893 20 G 4.0393 9.0634 102.3255 44.8299 0.0000 173.6794 21 K 4.1353 8.2715 122.6273 56.4292 33.7573 176.2401 22 T 5.0168 8.7200 122.6922 62.4070 69.2737 173.9547 23 L 3.6871 8.5551 127.7473 57.9877 40.7174 175.8604 24 G 4.2350 9.7222 116.3933 44.8342 0.0000 175.4315 25 R 3.8760 8.0936 120.0250 58.6556 31.0708 178.4465 26 L 4.0404 8.9018 120.2286 58.6670 42.1967 178.4787 27 A 3.8628 8.1455 119.7966 55.5266 18.4020 179.3405 28 T 3.7820 7.9965 107.2404 64.9389 68.7764 175.9094 29 K 3.8390 7.9015 121.3047 59.2546 32.1710 179.0298 30 I 3.7166 7.7837 119.4957 64.6335 36.9107 178.3634 31 A 3.9170 7.7221 120.7164 55.5734 18.1388 179.6503 32 T 3.6677 7.9253 114.2241 66.7212 68.5175 176.8295 33 L 3.8236 8.4230 121.2995 57.4321 41.6788 179.3703 34 L 4.0820 7.9206 119.1266 56.0327 41.5045 177.2467 35 R 4.9331 7.3497 116.7544 54.1472 31.9300 177.5700 36 G 4.0687 8.7297 109.8768 45.2967 0.0000 173.3710 37 K 4.0923 8.0549 124.6152 56.7041 34.2112 176.4578 38 H 4.7377 7.8402 111.6047 55.2866 29.4085 174.5555 39 R 4.5937 7.6915 120.8065 54.4370 31.2837 175.1193 40 P 4.4816 0.0000 0.0000 63.8196 31.2673 176.9558 41 D 4.2070 8.8943 120.3954 58.1003 41.0422 178.2108 42 W 4.1006 6.8006 126.1749 59.2274 28.4131 174.3181 43 T 4.0241 7.2366 123.2417 60.5048 70.1542 173.4607 44 P 2.9700 0.0000 0.0000 64.3701 31.7539 176.5332 45 N 4.8756 6.6275 117.3440 50.8407 36.9357 173.8448 46 V 4.1149 7.5163 118.7289 62.1917 38.0140 172.4087 47 A 3.7243 8.2857 124.2257 52.5366 14.8175 176.6110 48 M 4.7141 8.0525 117.9108 55.1235 34.5983 176.5190 49 G 4.3336 8.2479 105.7958 46.0818 0.0000 173.2195 50 D 4.7495 8.3458 124.5811 55.0886 41.8516 177.2872 51 F 4.2033 8.6478 119.0374 55.8075 39.1784 174.7858 52 V 3.9502 7.7668 123.7227 62.4043 33.1173 174.5449 53 V 4.3675 8.9776 128.2743 61.1717 33.6993 174.1142 54 V 4.5844 8.2614 129.6219 62.1080 32.8005 175.2641 55 V 4.6569 8.5554 126.8001 60.0812 34.6844 173.9627 56 N 4.5146 8.7535 117.0069 54.8289 37.3329 173.7408 57 A 4.6319 8.4658 133.2716 50.2752 18.4110 177.4074 58 D 3.9341 9.7150 114.5666 55.9076 40.2594 175.3280 59 K 4.0894 8.6723 121.1471 57.5254 31.0102 177.0202 60 I 3.8616 9.5264 110.2699 62.0260 37.6883 176.5134 61 R 4.6127 8.6220 124.8834 55.5073 31.9414 175.6330 62 V 4.6690 7.9571 118.7637 60.6269 34.2350 176.2863 63 T 4.2877 8.5737 121.4841 65.6454 70.1921 174.2646 64 G 4.1571 7.3661 111.0663 46.5065 0.0000 176.2317 65 K 4.6178 8.0619 121.4572 55.9179 32.8764 178.8018 66 K 3.8622 7.8436 119.8653 60.8761 32.6114 179.9059 67 L 3.6996 7.8420 118.2099 57.8221 41.8946 179.4582 68 E 4.0401 8.0472 116.6978 58.8497 29.9282 177.5698 69 Q 4.0947 7.9573 115.1855 56.8570 29.3803 176.0301 70 K 4.0933 9.0768 122.4204 55.8884 33.1501 175.5083 71 I 4.7995 8.0989 128.2091 59.7118 39.7435 174.5729 72 Y 4.9384 9.4754 126.7865 57.1014 39.7169 174.8380 73 T 5.1537 8.5769 113.3937 60.2224 71.2076 173.6693 74 R 4.6013 8.8129 125.7498 55.2143 32.7367 175.4253 75 Y 5.8885 8.5269 121.3923 55.1460 41.1877 174.9402 76 S 4.3051 8.3548 121.9212 57.5233 64.3800 175.5847 77 G 3.6586 8.7900 109.7323 48.5348 0.0000 173.7933 78 Y 4.2060 7.5676 116.1428 56.7502 38.5734 173.2715 79 P 4.6122 0.0000 0.0000 63.7945 32.0298 177.5610 80 G 4.0008 9.1588 110.5043 45.5699 0.0000 175.4347 81 G 3.5768 7.9296 105.3231 45.6823 0.0000 172.3737 82 L 4.9440 8.2154 123.2309 53.8029 42.9436 176.3016 83 K 4.5299 9.2479 127.7003 54.8466 33.8097 175.4979 84 K 5.1274 8.6133 125.0787 55.1208 33.8252 176.6016 85 I 4.7922 8.8562 117.5651 58.7748 40.9728 173.1897 86 P 4.7710 0.0000 0.0000 61.8017 32.7847 176.3883 87 L 3.8646 8.4925 121.3641 58.7051 41.7418 179.1127 88 E 3.9119 8.5002 118.4896 59.6475 29.0385 179.8873 89 K 3.9598 7.8399 118.0068 59.9454 32.0422 179.3780 90 M 4.2663 8.0863 118.7862 58.2717 31.5937 178.7701 91 L 4.1070 7.8785 117.7367 57.3228 42.2253 178.4997 92 A 4.0993 7.9523 120.1049 54.3692 18.5901 177.4860 93 T 4.2802 7.4182 108.3343 62.6473 70.8691 172.4866 94 H 4.3595 8.8838 123.6683 56.2765 26.5374 175.1354 95 P 4.6524 0.0000 0.0000 65.2015 30.5844 176.9019 96 E 4.0644 8.2501 116.7072 59.0177 29.3303 179.0051 97 R 3.9786 8.1371 119.5208 58.5326 29.9663 178.4545 98 V 3.5763 7.3761 117.2992 66.4033 31.6995 177.5967 99 L 4.0906 7.9508 119.1285 58.5426 42.0907 177.8433 100 E 3.7212 8.1247 116.6231 60.1569 29.2736 178.8572 101 H 3.9231 8.8580 120.2793 59.7160 30.2665 176.9810 102 A 4.1942 8.1403 122.2255 55.2740 18.1838 179.6819 103 V 3.5084 7.7941 115.6745 66.2282 31.3160 177.7858 104 K 4.0741 8.7912 119.8854 59.8153 31.5190 178.7053 105 G 3.4499 7.7299 105.0521 47.8056 0.0000 175.0719 106 M 4.3560 8.0336 118.2087 54.8768 32.4245 176.5737 107 L 4.4282 6.6424 119.2826 52.7913 43.0180 174.6144 108 P 4.5009 0.0000 0.0000 62.6405 32.0348 177.4516 109 K 4.0580 8.6590 118.9947 59.6365 32.5516 179.4118 110 G 3.9967 7.7922 104.0083 44.1815 0.0000 170.8978 111 P 4.1941 0.0000 0.0000 65.7584 31.3142 177.9709 112 L 3.9954 8.1054 118.5239 58.8338 41.7498 178.5791 113 G 3.7280 8.1431 104.5032 48.1024 0.0000 175.2099 114 R 3.9256 8.0667 119.5513 58.7454 30.1593 179.0260 115 R 3.9253 8.0630 117.0666 59.7125 29.9603 178.2097 116 L 3.9471 8.2779 118.8469 57.7401 41.6270 179.1140 117 F 3.8413 8.4308 120.6599 61.4638 39.0269 177.3445 118 K 4.1322 7.7404 116.0723 58.3375 32.0408 178.7700 119 R 3.5376 9.8121 117.2037 56.4342 30.3476 175.9039 120 L 4.4647 6.5648 121.3310 53.5463 43.5877 176.3749 121 K 4.3080 8.5487 124.9032 54.5982 34.4421 174.6628 122 V 4.3206 7.8494 124.7854 61.8306 32.8556 174.6593 123 Y 4.8993 8.6726 123.8483 56.1350 42.3526 174.2525 124 A 4.7766 8.9046 125.2773 50.5654 19.6564 175.3987 125 G 4.1085 8.5045 114.1265 44.1709 0.0000 174.9894 126 P 4.5828 0.0000 0.0000 61.5741 30.3919 172.7170 127 D 4.4321 8.9959 127.4814 53.7098 39.7409 172.6469 128 H 4.3565 8.1022 118.9198 52.4220 31.1316 172.9703 129 P 4.1397 0.0000 0.0000 65.5715 31.2903 176.6214 130 H 4.3050 7.1498 116.5794 56.0512 27.1742 175.7664 131 Q 4.3490 7.9980 129.7177 55.0735 27.8007 176.1664 132 A 4.2798 7.0126 114.4203 51.5721 20.0697 177.7123 133 Q 3.5921 7.8670 122.8832 56.5276 29.0036 172.9386 134 R 6.3000 7.8175 124.7116 55.6377 29.6856 170.8541 135 P 4.3772 0.0000 0.0000 63.1692 32.6905 174.6382 136 E 4.6945 8.8475 126.3206 55.8049 30.3063 175.6426 137 K 4.7370 8.8436 125.8816 54.5972 35.7227 175.3746 138 L 4.5004 8.3463 123.0979 53.6671 43.8239 177.5314 *139 E 4.1515 8.7718 118.5787 56.1488 30.3597 172.1083 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 1 M 8.30 4.40 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 2 K 7.75 3.89 0.00 1.26 1.18 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.13 1.37 7.81 3 T 7.68 4.23 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 1.24 0.00 0.00 4 Y 7.96 3.42 0.00 3.10 3.23 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 5 V 12.00 3.31 2.18 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 0.79 0.00 0.00 0.93 0.00 0.00 6 P 0.00 4.61 0.00 2.21 2.31 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 7 K 8.02 4.40 0.00 1.78 1.83 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.46 7.81 8 Q 8.47 4.02 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 9 V 8.21 3.91 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 0.82 0.00 0.00 1.00 0.00 0.00 10 E 8.57 4.40 0.00 1.98 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 2.28 2.39 0.00 11 P 0.00 4.44 0.00 2.48 2.40 0.00 3.89 0.00 0.00 3.82 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 12 R 8.71 4.57 0.00 2.05 1.92 0.00 3.26 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 13 W 8.91 4.91 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 14 V 8.17 4.56 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 0.91 0.00 0.00 1.00 0.00 0.00 15 L 8.86 5.23 0.00 1.70 1.59 0.93 0.76 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 16 I 8.64 4.54 1.88 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 1.12 1.19 0.95 0.00 0.00 17 D 8.95 5.07 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.94 4.10 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 19 E 8.07 3.49 0.00 2.32 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 2.26 2.29 0.00 20 G 9.06 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 21 K 8.27 4.14 0.00 1.90 1.70 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.43 7.81 22 T 8.72 5.02 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 1.25 0.00 0.00 23 L 8.56 3.69 0.00 1.68 1.72 1.05 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.72 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 0.00 0.00 0.00 25 R 8.09 3.88 0.00 1.97 2.04 0.00 3.38 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 26 L 8.90 4.04 0.00 1.70 1.80 0.92 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.15 3.86 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 28 T 8.00 3.78 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 1.29 0.00 0.00 29 K 7.90 3.84 0.00 1.96 1.90 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.57 7.81 30 I 7.78 3.72 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.64 0.84 0.00 0.00 31 A 7.72 3.92 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 32 T 7.93 3.67 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 1.08 0.00 0.00 33 L 8.42 3.82 0.00 1.82 1.71 0.99 0.60 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 34 L 7.92 4.08 0.00 1.87 1.63 0.89 0.70 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 35 R 7.35 4.93 0.00 1.79 2.25 0.00 3.11 0.00 0.00 3.01 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 36 G 8.73 4.07 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 0.00 0.00 0.00 37 K 8.05 4.09 0.00 1.63 1.63 0.00 0.61 0.00 0.00 0.65 0.00 0.00 2.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 0.92 7.81 38 H 7.84 4.74 0.00 3.22 3.39 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.69 4.59 0.00 2.03 1.98 0.00 3.24 0.00 0.00 3.50 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 40 P 0.00 4.48 0.00 2.22 2.18 0.00 3.81 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 2.03 2.02 0.00 41 D 8.89 4.21 0.00 2.79 2.80 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 42 W 6.80 4.10 0.00 3.62 3.26 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 43 T 7.24 4.02 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 1.04 0.00 0.00 44 P 0.00 2.97 0.00 2.09 2.16 0.00 3.33 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 45 N 6.63 4.88 0.00 2.56 2.80 0.00 0.00 6.79 7.55 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 46 V 7.52 4.11 1.98 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 0.54 0.00 0.00 0.89 0.00 0.00 47 A 8.29 3.72 1.39 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 0.00 0.00 0.00 48 M 8.05 4.71 0.00 1.89 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 49 G 8.25 4.33 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 50 D 8.35 4.75 0.00 2.71 2.80 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 51 F 8.65 4.20 0.00 1.52 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.77 3.95 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 0.89 0.00 0.00 0.87 0.00 0.00 53 V 8.98 4.37 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 1.15 0.00 0.00 1.08 0.00 0.00 54 V 8.26 4.58 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 0.93 0.00 0.00 0.91 0.00 0.00 55 V 8.56 4.66 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 0.71 0.00 0.00 1.00 0.00 0.00 56 N 8.75 4.51 0.00 2.92 2.82 0.00 0.00 6.82 8.15 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 57 A 8.47 4.63 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 58 D 9.71 3.93 0.00 2.94 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 59 K 8.67 4.09 0.00 2.07 2.04 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.37 7.81 60 I 9.53 3.86 1.89 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 1.38 0.55 0.98 0.00 0.00 61 R 8.62 4.61 0.00 1.93 1.89 0.00 3.23 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 62 V 7.96 4.67 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 0.76 0.00 0.00 0.92 0.00 0.00 63 T 8.57 4.29 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 1.21 0.00 0.00 64 G 7.37 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 65 K 8.06 4.62 0.00 1.89 1.97 0.00 1.50 0.00 0.00 2.00 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.40 7.81 66 K 7.84 3.86 0.00 1.83 1.84 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.39 7.81 67 L 7.84 3.70 0.00 1.73 1.75 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.05 4.04 0.00 2.09 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 2.25 2.25 0.00 69 Q 7.96 4.09 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 70 K 9.08 4.09 0.00 1.56 1.58 0.00 1.25 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.96 0.77 7.81 71 I 8.10 4.80 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 0.93 0.00 0.00 72 Y 9.48 4.94 0.00 2.95 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 73 T 8.58 5.15 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 1.26 0.00 0.00 74 R 8.81 4.60 0.00 1.84 1.91 0.00 3.07 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 75 Y 8.53 5.89 0.00 2.92 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 76 S 8.35 4.31 0.00 3.97 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 77 G 8.79 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 0.00 0.00 0.00 78 Y 7.57 4.21 0.00 3.01 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 79 P 0.00 4.61 0.00 2.10 2.04 0.00 3.87 0.00 0.00 3.69 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 80 G 9.16 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 0.00 0.00 0.00 81 G 7.93 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 82 L 8.22 4.94 0.00 1.80 1.69 1.07 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 83 K 9.25 4.53 0.00 1.84 1.75 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.52 7.81 84 K 8.61 5.13 0.00 1.66 1.74 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.46 7.81 85 I 8.86 4.79 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.34 0.96 0.00 0.00 86 P 0.00 4.77 0.00 2.21 2.18 0.00 3.74 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 2.06 1.94 0.00 87 L 8.49 3.86 0.00 1.58 1.74 0.92 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.50 3.91 0.00 1.99 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 2.34 2.58 0.00 89 K 7.84 3.96 0.00 1.94 1.90 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.65 7.81 90 M 8.09 4.27 0.00 2.20 2.44 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.01 2.96 0.00 91 L 7.88 4.11 0.00 1.63 1.75 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.95 4.10 1.41 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 0.00 0.00 0.00 93 T 7.42 4.28 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 1.26 0.00 0.00 94 H 8.88 4.36 0.00 3.41 3.32 0.00 5.69 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 95 P 0.00 4.65 0.00 2.29 2.51 0.00 3.90 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.92 0.00 96 E 8.25 4.06 0.00 2.12 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 2.37 2.32 0.00 97 R 8.14 3.98 0.00 1.95 1.93 0.00 3.13 0.00 0.00 3.04 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 98 V 7.38 3.58 2.24 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 0.92 0.00 0.00 1.04 0.00 0.00 99 L 7.95 4.09 0.00 1.73 1.61 0.91 0.96 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 0.00 100 E 8.12 3.72 0.00 2.23 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 2.21 2.55 0.00 101 H 8.86 3.92 0.00 2.95 3.19 0.00 5.77 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 0.00 102 A 8.14 4.19 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 0.00 103 V 7.79 3.51 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 1.12 0.00 0.00 0.91 0.00 0.00 104 K 8.79 4.07 0.00 1.98 1.94 0.00 1.31 0.00 0.00 1.33 0.00 0.00 2.62 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.15 0.55 7.81 105 G 7.73 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 M 8.03 4.36 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 107 L 6.64 4.43 0.00 1.61 1.63 1.03 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.50 0.00 2.07 2.04 0.00 3.71 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 2.10 2.15 0.00 109 K 8.66 4.06 0.00 1.74 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.43 7.81 110 G 7.79 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 0.00 0.00 0.00 111 P 0.00 4.19 0.00 2.16 2.10 0.00 3.62 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 112 L 8.11 4.00 0.00 1.73 1.69 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.14 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 0.00 0.00 0.00 114 R 8.07 3.93 0.00 1.85 1.99 0.00 3.13 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 1.58 1.80 0.00 115 R 8.06 3.93 0.00 1.84 2.14 0.00 3.26 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 116 L 8.28 3.95 0.00 1.91 1.63 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.43 3.84 0.00 3.11 3.23 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 0.00 118 K 7.74 4.13 0.00 1.98 1.88 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.83 7.81 119 R 9.81 3.54 0.00 1.51 1.15 0.00 2.21 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.30 0.00 120 L 6.56 4.46 0.00 1.26 1.18 0.67 0.37 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 0.00 121 K 8.55 4.31 0.00 1.84 2.01 0.00 1.50 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.48 7.81 122 V 7.85 4.32 1.92 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 0.80 0.00 0.00 0.83 0.00 0.00 123 Y 8.67 4.90 0.00 3.05 2.82 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 0.00 124 A 8.90 4.78 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 0.00 125 G 8.50 4.11 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 0.00 0.00 0.00 126 P 0.00 4.58 0.00 2.21 1.95 0.00 3.90 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 1.99 2.00 0.00 127 D 9.00 4.43 0.00 2.83 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 0.00 128 H 8.10 4.36 0.00 3.07 3.19 0.00 5.46 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.14 0.00 2.04 2.09 0.00 2.96 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.89 0.00 130 H 7.15 4.30 0.00 3.53 3.15 0.00 5.84 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.00 4.35 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.53 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 132 A 7.01 4.28 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 0.00 133 Q 7.87 3.59 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.42 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 134 R 7.82 6.30 0.00 1.97 2.15 0.00 2.80 0.00 0.00 3.94 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.40 0.00 135 P 0.00 4.38 0.00 2.14 2.06 0.00 3.82 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 2.16 2.12 0.00 136 E 8.85 4.69 0.00 2.00 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 2.38 2.35 0.00 137 K 8.84 4.74 0.00 1.65 1.70 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.55 7.81 138 L 8.35 4.50 0.00 1.59 1.56 0.93 0.85 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 *139 E 8.77 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.