NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.3627 8.3649 120.1098 54.3297 42.1484 174.8163 4 F 4.6658 8.3068 124.0656 56.9013 39.6761 175.9819 5 D 4.3406 8.3897 124.5154 56.9837 41.6168 178.4340 6 F 4.2951 8.2176 113.0938 59.1936 38.0553 176.4906 7 L 3.4402 7.1112 121.7559 56.7752 41.5315 176.8927 8 E 3.8214 7.5082 120.0276 57.7710 29.6264 176.9080 9 G 3.9571 8.6909 115.4613 44.8975 0.0000 173.8047 10 K 4.3512 7.9786 120.4262 56.5257 33.0899 176.3777 11 R 5.2156 8.3765 118.7461 55.1620 33.1115 173.7514 12 L 4.7151 8.8574 120.3483 54.3545 45.9035 174.2126 13 T 5.3095 8.5320 121.0161 62.0293 72.3227 173.0838 14 E 4.7567 9.2962 123.2165 54.9176 34.5388 174.1672 15 D 5.1389 8.7388 123.2748 53.4264 41.9348 175.9427 16 V 4.4915 9.0325 124.0812 60.8041 34.6206 174.1557 17 A 4.7206 8.5912 129.3412 51.3536 19.8520 176.5449 18 L 4.4423 9.0754 124.1041 53.8741 42.9780 176.5590 19 D 4.9031 8.4466 124.1324 51.3839 41.8075 175.6546 20 E 4.1960 8.5227 118.4200 57.9436 29.9396 177.1838 21 T 4.1610 8.0052 110.3847 61.8585 68.3554 174.9870 *23 V 4.0209 7.5497 119.8053 62.1745 32.6999 174.7107 24 W 4.5436 9.2972 134.0450 57.3836 30.6183 175.3358 25 N 4.7378 8.4362 122.3044 52.4285 37.5004 175.3129 26 E 3.8266 7.4265 120.6259 58.9768 29.7355 176.2946 27 D 4.5716 6.4889 118.1828 52.0418 41.6805 175.4463 28 I 3.7256 8.3032 128.5975 64.6367 37.1968 178.8689 29 E 4.1202 7.8669 119.0375 56.2213 28.6265 178.1197 *31 L 4.2972 8.0815 121.0009 54.7792 43.6133 179.1035 32 D 4.5089 7.9985 116.4166 55.6777 39.5941 177.3737 33 L 3.9944 8.0944 119.1121 56.0359 42.6379 176.4270 34 H 4.1219 8.0295 114.8314 56.1537 28.0644 174.4199 35 L 4.7110 7.5484 120.0943 55.4627 43.3314 178.7048 36 V 4.2421 8.5751 122.8584 61.4876 32.4298 175.9731 37 A 4.2395 8.6572 125.2437 52.1779 19.4662 178.4901 38 T 3.7270 8.7549 118.3136 66.8999 68.6893 177.3031 39 S 4.0432 8.0922 115.3052 61.2942 62.9528 176.1971 40 A 3.9522 7.9085 123.8245 55.0515 18.1940 179.4417 41 L 3.9233 7.8414 117.4568 57.8370 41.5183 179.8830 42 I 3.5781 7.8791 120.1850 64.2059 36.9674 178.6654 43 G 3.4873 8.0022 106.5556 47.5766 0.0000 175.8712 44 V 3.5181 7.7234 120.5530 65.7953 31.6213 178.2540 45 V 3.5608 7.7754 117.9850 66.3230 31.3211 177.5628 46 H 3.7365 8.0944 116.2100 58.7317 28.4934 177.5501 47 R 3.8753 8.0568 120.4938 59.6504 29.8970 178.7049 48 V 3.6652 7.7589 117.9218 65.9773 31.5001 178.1478 49 S 4.0882 7.9040 113.6393 61.2224 62.6946 175.9115 50 Y 3.9334 7.9086 123.4293 60.6364 38.3206 177.7940 51 E 3.9471 8.1197 118.5910 58.9821 29.8640 178.7251 52 L 4.1320 8.0412 120.4728 58.4117 42.2561 179.1299 53 L 4.1821 8.0756 119.0057 57.7421 41.3446 179.4121 54 S 4.1282 7.7542 112.6296 60.4112 63.0679 176.2697 55 R 3.8117 7.5222 121.3594 58.3542 29.6883 176.6846 56 Y 4.8988 7.3222 113.4201 58.0238 40.5944 176.1792 57 L 4.3872 7.9265 119.2787 53.5570 42.5281 175.2845 58 P 4.5296 0.0000 0.0000 62.5960 31.8358 177.2645 59 N 4.6050 8.8202 118.0889 54.6716 37.5990 175.2141 60 D 4.6832 8.2249 118.1423 53.7604 40.3539 175.1337 61 Y 4.9296 8.0918 117.9463 57.2592 40.1740 174.6524 62 T 4.9989 8.9423 115.9849 60.8260 71.6703 171.8334 63 A 5.1923 8.6770 121.8827 50.8177 22.2536 176.3159 64 V 4.5339 8.7052 114.8866 59.1670 35.7524 175.3395 65 V 4.2898 8.4099 124.1805 63.2867 31.4932 175.9343 66 V 4.4314 8.5371 119.8915 61.5120 33.8595 175.5347 67 E 4.7964 7.9553 119.5978 55.4991 32.9205 173.7431 68 T 5.3011 8.4276 120.0346 60.8982 70.8656 172.5724 69 L 5.0250 9.5477 127.5391 53.0783 45.7728 175.3790 70 A 5.2302 8.6061 123.3059 50.4585 22.8969 175.3163 71 R 4.4558 9.1088 119.2283 54.7413 33.4660 174.4706 72 H 5.0420 8.9860 124.8391 55.1659 29.3186 174.2038 73 V 4.2245 8.6426 118.5571 61.4311 32.7750 176.4825 74 K 4.4681 7.8039 120.2257 54.2560 35.1669 175.2937 75 A 4.1873 8.4207 129.0652 52.1420 19.2267 177.0225 76 V 4.5911 7.9085 119.9795 59.4749 34.9156 172.8003 77 P 4.9817 0.0000 0.0000 62.3879 32.0354 176.2350 78 T 3.9628 8.8735 113.7104 62.7152 69.4798 174.6456 79 G 3.9585 9.5746 110.2293 45.6626 0.0000 173.3394 80 T 4.7295 7.5335 115.4807 61.7048 71.8324 173.2142 81 R 5.1303 8.4607 122.2211 54.7682 32.3918 176.0880 82 V 4.6004 8.7874 115.7528 59.4156 35.4421 174.3845 83 A 4.8445 8.4591 125.1304 50.9947 20.6537 176.2231 84 V 4.7054 9.0487 123.4072 61.1159 34.3069 174.4517 85 G 4.5884 9.0467 115.5100 44.5237 0.0000 172.0017 86 V 5.4429 9.0382 116.6793 59.4854 36.1643 174.8700 87 R 5.1354 9.0252 118.9609 54.6934 33.4325 174.1467 88 V 3.6699 8.7999 122.7139 62.7322 32.0426 176.4866 89 V 4.1650 8.1878 121.1787 61.1074 32.9429 176.1030 90 G 3.9980 7.0982 105.2899 45.5697 0.0000 172.7267 91 V 4.9352 8.3026 120.9320 60.8671 35.0566 174.9370 92 V 4.2697 8.5621 126.7158 61.7246 34.5019 175.9315 93 G 3.8527 8.4087 118.8543 47.1971 0.0000 173.0721 94 N 4.8398 8.9833 122.6778 52.2286 37.5766 173.4351 95 R 4.9486 8.0924 119.6171 55.0731 32.1277 175.3004 96 V 4.4353 8.6784 124.8789 60.8621 34.0127 174.0330 97 K 4.7292 8.8328 130.6624 55.3397 33.5647 175.2888 98 F 5.1268 9.1021 126.0734 55.6746 42.2411 174.6618 99 R 4.9985 8.7548 119.9968 54.5678 33.4445 175.1618 100 G 4.7409 9.0761 108.5507 44.9880 0.0000 170.9940 101 I 5.0917 8.6890 119.0638 59.5521 41.9165 173.9424 102 V 4.9339 8.8177 128.3530 60.1904 35.4346 174.5514 *104 S 4.4061 8.4617 116.2597 58.4416 63.1850 175.0018 105 G 3.8051 8.1849 119.9092 47.1499 0.0000 172.7279 106 D 4.7042 9.0315 123.1875 53.7233 41.0901 175.2482 107 E 4.5881 7.8239 120.0018 54.0121 31.1440 175.7084 108 K 4.1313 8.5584 125.3464 56.5922 33.1939 176.2016 109 I 4.1929 9.2121 127.6997 63.4496 38.7647 175.7291 110 L 5.0460 7.6117 121.8667 53.7506 45.5431 173.6721 111 E 5.2542 9.0857 126.0151 54.5474 32.6995 174.3643 112 A 5.3523 9.0393 125.7165 50.5881 23.5816 174.6334 113 E 5.1741 9.5608 120.5057 54.8762 33.5775 174.1456 114 F 5.3564 8.8122 120.1801 56.1462 42.0453 172.7590 115 V 5.0261 9.1268 120.0548 61.3023 34.3127 174.2684 116 R 5.2246 9.1814 126.2447 54.4650 33.0288 174.7376 117 A 4.8909 9.1007 126.2130 50.8729 20.5906 176.1318 118 I 4.5662 8.6076 125.1550 60.7528 38.0193 175.9321 119 V 4.6579 8.9483 126.3801 60.2520 35.7486 172.8731 120 P 4.1701 0.0000 0.0000 62.5931 32.0336 177.6412 121 R 3.9509 8.6535 122.1207 59.6178 29.8618 179.3061 122 E 3.9771 8.0737 117.7770 59.0206 29.3499 179.0304 123 K 3.8636 7.7760 119.4253 59.4648 32.1679 178.6579 124 L 3.9523 7.7808 120.0262 58.0195 42.1180 178.7713 125 R 3.8915 8.0281 118.0031 59.3834 29.8458 178.9554 126 R 3.9098 7.8691 116.3430 60.1939 30.1789 178.3139 127 L 3.8544 8.5114 118.1632 57.3512 41.2400 179.3257 128 A 4.0298 8.5571 125.7243 55.8542 19.7291 180.0529 129 L 4.4688 8.2888 123.2129 55.7805 38.9219 179.3691 130 E 4.5494 7.8843 121.4813 56.8527 31.0319 177.2132 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 D 8.36 4.36 0.00 2.55 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 4 F 8.31 4.67 0.00 3.11 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 5 D 8.39 4.34 0.00 2.96 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 6 F 8.22 4.30 0.00 3.05 3.11 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 7 L 7.11 3.44 0.00 1.39 1.36 0.68 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.51 3.82 0.00 1.93 1.78 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 2.23 2.14 0.00 9 G 8.69 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 0.00 0.00 0.00 10 K 7.98 4.35 0.00 1.61 1.76 0.00 1.48 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.26 0.76 7.81 11 R 8.38 5.22 0.00 1.95 1.87 0.00 3.07 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 12 L 8.86 4.72 0.00 1.85 1.57 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.53 5.31 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 1.24 0.00 0.00 14 E 9.30 4.76 0.00 1.84 1.78 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 2.23 2.30 0.00 15 D 8.74 5.14 0.00 2.55 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 16 V 9.03 4.49 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 1.05 0.00 0.00 0.93 0.00 0.00 17 A 8.59 4.72 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 18 L 9.08 4.44 0.00 1.60 1.64 0.93 0.68 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 19 D 8.45 4.90 0.00 2.75 2.69 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 0.00 0.00 0.00 20 E 8.52 4.20 0.00 1.92 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 2.26 2.35 0.00 21 T 8.01 4.16 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 1.21 0.00 0.00 *23 V 7.55 4.02 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 0.79 0.00 0.00 1.00 0.00 0.00 24 W 9.30 4.54 0.00 3.15 3.35 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 25 N 8.44 4.74 0.00 2.67 2.73 0.00 0.00 6.32 7.66 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 26 E 7.43 3.83 0.00 2.05 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 2.40 2.45 0.00 27 D 6.49 4.57 0.00 2.43 1.82 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 28 I 8.30 3.73 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 1.34 0.86 0.85 0.00 0.00 29 E 7.87 4.12 0.00 2.08 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 2.31 2.41 0.00 *31 L 8.08 4.30 0.00 1.66 1.69 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.00 4.51 0.00 2.80 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 33 L 8.09 3.99 0.00 1.74 1.82 0.99 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.03 4.12 0.00 3.51 3.57 0.00 5.46 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.55 4.71 0.00 1.96 1.70 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.58 4.24 2.12 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 0.72 0.00 0.00 0.95 0.00 0.00 37 A 8.66 4.24 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 38 T 8.75 3.73 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 1.18 0.00 0.00 39 S 8.09 4.04 0.00 4.02 4.12 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 40 A 7.91 3.95 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.84 3.92 0.00 1.77 1.63 0.73 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.88 3.58 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.73 0.55 0.00 0.00 43 G 8.00 3.49 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 0.00 44 V 7.72 3.52 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 0.96 0.00 0.00 0.91 0.00 0.00 45 V 7.78 3.56 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 1.11 0.00 0.00 0.96 0.00 0.00 46 H 8.09 3.74 0.00 3.15 3.10 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.06 3.88 0.00 1.94 2.07 0.00 3.10 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 1.77 1.64 0.00 48 V 7.76 3.67 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 1.04 0.00 0.00 0.97 0.00 0.00 49 S 7.90 4.09 0.00 2.72 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 7.91 3.93 0.00 3.04 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 51 E 8.12 3.95 0.00 2.17 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 2.44 2.48 0.00 52 L 8.04 4.13 0.00 1.85 2.04 1.11 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.08 4.18 0.00 1.71 1.64 1.04 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.75 4.13 0.00 3.88 3.61 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 55 R 7.52 3.81 0.00 0.67 1.27 0.00 3.01 0.00 0.00 2.98 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.75 0.00 56 Y 7.32 4.90 0.00 3.10 3.34 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 57 L 7.93 4.39 0.00 1.69 1.70 0.89 0.85 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 58 P 0.00 4.53 0.00 2.70 2.11 0.00 3.55 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 1.96 2.11 0.00 59 N 8.82 4.60 0.00 2.88 2.99 0.00 0.00 6.04 8.06 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 60 D 8.22 4.68 0.00 2.77 2.95 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 0.00 0.00 0.00 61 Y 8.09 4.93 0.00 3.08 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 62 T 8.94 5.00 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 1.32 0.00 0.00 63 A 8.68 5.19 1.24 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 64 V 8.71 4.53 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 0.68 0.00 0.00 1.01 0.00 0.00 65 V 8.41 4.29 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 0.70 0.00 0.00 0.55 0.00 0.00 66 V 8.54 4.43 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 0.98 0.00 0.00 67 E 7.96 4.80 0.00 2.05 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 68 T 8.43 5.30 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 1.24 0.00 0.00 69 L 9.55 5.03 0.00 1.77 1.53 1.05 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.61 5.23 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 71 R 9.11 4.46 0.00 1.71 1.81 0.00 3.11 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 72 H 8.99 5.04 0.00 3.08 3.13 0.00 5.73 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.64 4.22 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 0.74 0.00 0.00 1.01 0.00 0.00 74 K 7.80 4.47 0.00 1.64 1.62 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.41 7.81 75 A 8.42 4.19 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 76 V 7.91 4.59 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 0.89 0.00 0.00 0.94 0.00 0.00 77 P 0.00 4.98 0.00 1.92 1.97 0.00 3.68 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 2.00 2.04 0.00 78 T 8.87 3.96 4.50 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 1.38 0.00 0.00 79 G 9.57 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 0.00 0.00 0.00 80 T 7.53 4.73 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 1.22 0.00 0.00 81 R 8.46 5.13 0.00 1.68 1.83 0.00 3.15 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 82 V 8.79 4.60 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 0.70 0.00 0.00 1.00 0.00 0.00 83 A 8.46 4.84 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 84 V 9.05 4.71 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 1.03 0.00 0.00 0.93 0.00 0.00 85 G 9.05 4.59 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 0.00 0.00 0.00 86 V 9.04 5.44 2.26 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 0.89 0.00 0.00 1.05 0.00 0.00 87 R 9.03 5.14 0.00 1.80 1.98 0.00 2.75 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 88 V 8.80 3.67 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 0.64 0.00 0.00 0.26 0.00 0.00 89 V 8.19 4.17 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 0.64 0.00 0.00 0.88 0.00 0.00 90 G 7.10 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 91 V 8.30 4.94 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 0.95 0.00 0.00 0.78 0.00 0.00 92 V 8.56 4.27 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 0.93 0.00 0.00 0.91 0.00 0.00 93 G 8.41 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 94 N 8.98 4.84 0.00 3.05 3.21 0.00 0.00 5.87 7.66 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 95 R 8.09 4.95 0.00 1.87 1.89 0.00 3.25 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 96 V 8.68 4.44 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 0.39 0.00 0.00 0.74 0.00 0.00 97 K 8.83 4.73 0.00 1.75 1.64 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.36 7.81 98 F 9.10 5.13 0.00 1.51 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 0.00 0.00 0.00 0.00 99 R 8.75 5.00 0.00 1.71 1.79 0.00 3.04 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 1.49 1.48 0.00 100 G 9.08 4.74 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 0.00 0.00 0.00 101 I 8.69 5.09 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.28 0.99 0.00 0.00 102 V 8.82 4.93 2.06 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 1.07 0.00 0.00 0.91 0.00 0.00 *104 S 8.46 4.41 0.00 3.92 3.82 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 0.00 105 G 8.18 3.81 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 0.00 0.00 0.00 106 D 9.03 4.70 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 0.00 107 E 7.82 4.59 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 108 K 8.56 4.13 0.00 1.72 1.72 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 109 I 9.21 4.19 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.05 0.97 0.00 0.00 110 L 7.61 5.05 0.00 1.55 1.37 0.75 0.76 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 0.00 111 E 9.09 5.25 0.00 2.09 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 2.22 2.38 0.00 112 A 9.04 5.35 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 0.00 113 E 9.56 5.17 0.00 2.01 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 2.22 2.24 0.00 114 F 8.81 5.36 0.00 3.27 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 0.00 115 V 9.13 5.03 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 1.01 0.00 0.00 1.00 0.00 0.00 116 R 9.18 5.22 0.00 2.08 1.93 0.00 3.29 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 1.69 1.76 0.00 117 A 9.10 4.89 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 0.00 118 I 8.61 4.57 1.34 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 0.85 0.34 0.60 0.00 0.00 119 V 8.95 4.66 2.12 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 1.04 0.00 0.00 0.98 0.00 0.00 120 P 0.00 4.17 0.00 2.07 1.63 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.88 0.00 121 R 8.65 3.95 0.00 1.82 1.98 0.00 3.15 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 122 E 8.07 3.98 0.00 1.92 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 2.36 2.28 0.00 123 K 7.78 3.86 0.00 1.88 2.00 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.50 7.81 124 L 7.78 3.95 0.00 1.86 1.64 0.93 0.99 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 0.00 125 R 8.03 3.89 0.00 2.06 1.96 0.00 3.29 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 1.65 1.84 0.00 126 R 7.87 3.91 0.00 2.03 2.01 0.00 3.18 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 127 L 8.51 3.85 0.00 1.84 1.62 0.93 0.80 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 0.00 128 A 8.56 4.03 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.29 4.47 0.00 1.72 1.53 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 130 E 7.88 4.55 0.00 1.92 1.66 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 2.15 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.