NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3372 8.2493 123.5823 52.3744 19.9819 175.3687 3 T 4.5949 8.0042 108.9575 58.0483 70.9312 173.3758 4 T 4.1525 9.1662 118.0357 61.1178 71.8842 176.7867 5 A 3.9772 8.4674 123.6562 55.4534 18.4226 180.1971 6 K 3.9605 8.0343 116.3673 59.6291 32.1875 179.2133 7 E 4.0015 8.3406 118.9033 59.4452 29.3632 179.2034 8 E 3.9930 8.6181 118.8993 59.7197 29.5649 179.2368 9 M 3.9938 8.4670 118.7585 58.5383 32.1084 178.6029 10 A 4.2434 8.2858 121.0018 55.3376 18.4696 179.7729 11 R 4.0716 8.3127 114.2332 58.6848 29.7147 178.7949 12 F 4.0413 8.2931 121.9594 61.1048 39.3680 177.1366 13 W 4.0953 8.1832 118.4494 59.5767 28.6521 177.9855 14 E 3.9527 8.0492 118.0742 60.0680 29.5203 178.1155 15 K 3.7676 8.8175 120.2145 59.4558 31.9943 177.9241 16 N 4.1468 8.1480 115.8906 56.7688 38.6763 177.6743 17 T 4.0522 8.4650 109.8863 63.5312 68.7426 175.0167 18 K 4.4246 7.5464 119.2687 56.3765 32.7601 176.0764 19 S 4.6281 7.7343 115.4525 57.7427 64.8558 173.8583 20 S 4.7124 8.2670 112.1304 58.0857 62.9159 173.9662 21 R 4.1492 8.6806 121.9386 55.7017 30.3605 174.9999 22 P 4.5506 0.0000 0.0000 61.9535 32.5815 175.0246 23 L 4.4515 8.1623 121.4910 53.4406 42.9527 176.6673 24 S 4.3164 8.5587 120.9628 57.4989 63.5698 172.3236 25 P 4.5985 0.0000 0.0000 62.9988 32.6381 175.0112 26 H 4.8228 8.2556 111.3886 56.1614 28.0445 174.9990 27 I 3.6465 8.7598 119.9341 63.4879 38.7556 177.4706 28 S 4.4184 8.0216 113.5151 59.9832 63.1041 174.4525 29 I 4.4444 6.9162 110.8021 60.4433 38.9160 175.2936 30 Y 3.7715 8.1232 123.3644 56.9346 39.1618 174.8051 31 K 4.1388 7.2863 127.8820 55.7901 32.9287 176.7165 32 W 4.5342 8.7611 126.1991 56.3904 30.3761 175.6614 33 S 4.8608 8.4113 113.6928 55.7957 66.9883 174.8755 34 L 4.0587 8.5136 123.3067 57.8618 41.9647 176.8693 35 P 4.3498 0.0000 0.0000 66.0820 31.1737 178.0645 36 M 4.0766 8.2907 116.3649 58.7957 32.2792 178.1583 37 A 4.4315 8.5684 120.9272 55.5455 18.6982 179.4221 38 M 4.4766 8.9032 118.5797 57.4309 32.1999 178.9162 39 S 4.3322 8.1722 114.0184 61.3287 62.5710 175.7947 40 I 4.0777 7.8797 121.4068 64.0778 37.7251 177.9290 41 T 3.9199 8.0757 116.6803 66.7087 68.2263 176.0406 42 H 4.4931 8.4739 120.1544 59.0835 29.8303 177.4514 43 R 4.0566 7.8242 119.7648 59.3171 29.9670 178.6010 44 G 3.6914 8.5274 106.2561 47.9873 0.0000 175.7697 45 T 4.0042 8.3428 112.5209 64.4392 68.7791 176.8984 46 G 3.4337 8.0524 108.7038 47.4221 0.0000 175.7316 47 V 3.5634 7.9261 120.8613 65.6750 31.5018 178.0253 48 A 4.0834 8.1991 120.6127 54.9576 18.1369 179.6560 49 L 3.8886 8.4033 118.1189 58.0083 41.6197 179.8817 50 S 4.0871 8.3162 115.4161 61.6514 62.7907 176.8178 51 L 4.1200 8.4784 122.2235 57.3414 41.2814 179.9406 52 G 3.4997 8.1917 106.0728 47.9486 0.0000 176.0533 53 V 3.6610 8.3781 121.7665 65.6084 31.5332 178.1523 54 S 4.3664 8.1862 116.2417 60.4461 62.6868 176.4524 55 L 4.0988 7.9778 122.0275 57.3030 41.3770 179.1485 56 F 4.1970 8.3598 121.1685 61.2794 39.0112 177.4067 57 S 3.9894 8.0886 113.5192 61.2064 62.8354 176.2314 58 L 3.9409 7.8018 122.1608 57.6867 41.4548 179.3672 59 A 3.9065 8.0420 120.1964 55.1681 18.0124 179.5193 60 A 3.7573 7.5070 118.1872 54.4922 18.4182 178.9189 61 L 4.3509 7.5941 115.6273 55.2174 42.4440 177.2612 62 L 4.5961 7.5891 116.3141 54.6753 43.9551 176.6689 63 L 4.3830 7.7343 118.7071 53.2705 42.4513 175.0444 64 P 4.3835 0.0000 0.0000 65.4981 31.4735 176.8572 65 E 4.4629 7.9402 115.1671 55.3128 30.9584 175.8328 66 Q 4.6680 8.2868 119.2565 54.9697 30.7519 176.9686 67 F 4.3620 8.9424 121.9794 61.5381 39.4771 175.8872 68 P 4.1559 0.0000 0.0000 66.1866 31.0312 178.0094 69 H 3.9984 8.3458 116.7987 59.3583 29.7050 177.0119 70 Y 4.0384 7.9811 118.6789 60.5647 37.6046 178.3491 71 V 3.3131 7.4150 118.6000 66.0159 31.7771 177.2310 72 A 3.8681 8.0954 120.5381 55.5337 17.9159 179.7049 73 V 3.3585 7.7654 115.8733 66.2254 32.0136 178.3592 74 V 3.7409 7.7008 117.8312 65.8715 31.4865 178.1427 75 K 4.1389 8.2403 118.2878 58.6374 31.6127 178.3929 76 S 4.5507 7.8642 112.6809 58.8740 63.3529 174.9444 77 L 4.4529 7.3881 121.7017 54.5991 43.3714 177.6770 78 S 3.6008 7.3530 107.6776 59.8012 61.5120 171.4421 79 L 4.3854 7.5700 130.1713 54.2063 43.0926 177.6350 80 S 4.1495 8.5882 116.2221 58.6479 63.8526 173.6055 81 P 4.2265 0.0000 0.0000 65.8808 31.0888 178.0389 82 A 4.3492 8.1570 118.5539 55.6749 18.0860 179.0021 83 L 3.8843 7.9166 117.2283 58.3448 42.1846 179.3258 84 I 3.7064 7.9856 119.7984 64.7123 37.1126 177.7056 85 Y 3.9969 9.0746 121.0679 60.8557 38.6779 178.0319 86 S 4.1259 9.1092 116.7753 61.6650 62.8920 176.7501 87 A 3.9923 8.4345 123.5193 55.1416 18.1873 179.6501 88 K 3.8047 8.0819 117.0599 59.6484 32.0436 178.9767 89 F 3.8017 8.2838 120.7395 61.4745 39.0957 176.9962 90 A 4.0046 8.1443 119.1162 54.8764 18.1190 179.2449 91 L 4.0606 7.7851 118.7542 58.2360 42.6896 179.0018 92 V 3.8181 8.1082 118.0209 63.0815 31.5509 177.5710 93 F 4.1193 8.1393 124.0079 60.2767 39.2179 174.6610 94 P 4.4203 0.0000 0.0000 65.8247 31.1939 178.3065 95 L 3.8938 7.7831 118.1726 58.0225 42.0297 178.7443 96 S 3.8315 8.4041 113.3516 61.4436 62.0874 175.1162 97 Y 4.3345 8.3495 124.6647 60.5299 38.4434 177.7713 98 H 4.0841 8.8171 119.1758 59.5314 29.8205 177.3011 99 T 3.6918 8.1817 118.0170 66.1748 68.2846 176.5012 100 W 4.3026 7.7363 120.6335 60.1409 29.1251 178.2838 101 N 4.1786 8.2440 116.9621 56.4047 38.1937 177.1192 102 G 3.5095 8.0558 107.4342 47.6802 0.0000 175.8462 103 I 3.7815 7.7840 122.1405 63.7474 36.9625 178.4948 104 R 3.3709 7.5612 119.8061 59.5434 29.8506 178.0860 105 H 4.2873 7.8969 116.0804 59.1625 28.5245 177.7686 106 L 4.2528 8.0435 119.7179 57.6254 41.6048 179.5818 107 V 3.6974 7.8423 118.5495 65.8562 31.4872 177.9656 108 W 4.6766 8.0286 120.4169 59.5003 28.7166 178.2318 109 D 4.7156 8.6299 117.7745 57.1363 40.3204 177.9149 110 M 4.4208 8.1579 117.7501 55.7192 32.1752 176.9278 111 G 4.1617 8.9966 107.6944 45.6996 0.0000 173.3264 112 K 4.7665 8.3110 117.6007 55.4786 35.0442 176.6316 113 G 3.8455 9.0298 108.5075 46.4723 0.0000 174.6217 114 F 4.2495 8.2758 118.7221 58.2071 39.8521 176.7431 115 K 4.0934 7.8494 120.2276 56.2156 32.4993 177.5455 116 L 4.0056 8.8359 124.7638 58.5342 41.8866 179.4649 117 S 4.2716 8.0572 113.3894 61.1151 63.2250 176.1456 118 Q 4.4848 8.1531 123.0527 57.7533 28.5203 178.4163 119 V 3.8628 7.6978 119.2502 66.0744 31.6924 177.7798 120 E 4.0919 8.1574 118.1061 59.3424 29.1233 179.2076 121 Q 3.9518 7.9440 118.0903 58.8382 28.9043 178.3973 122 S 4.1238 8.7051 115.6333 61.7300 62.7349 176.9571 123 G 3.5320 8.0363 108.8970 47.5399 0.0000 175.8236 124 V 3.6393 7.6908 121.2583 65.3940 31.4878 178.0950 125 V 3.4444 8.0267 118.3410 66.0099 31.2716 177.8181 126 V 3.3414 8.0280 118.1676 66.3096 31.3018 177.9986 127 L 4.0490 8.3096 118.6383 57.6974 41.4049 179.3955 128 I 3.7895 7.7209 118.6255 63.8568 37.9346 177.8283 129 L 3.7169 7.9929 120.2714 57.7603 41.1355 179.7001 130 T 3.9890 7.9327 115.9484 66.5193 68.4338 176.3758 131 L 4.2895 7.9004 122.0246 58.2837 42.1156 178.9938 132 L 4.0796 8.4472 119.4427 57.9155 41.5344 179.7041 133 S 4.2755 8.5449 114.6050 61.5476 63.0263 176.5448 134 S 3.9934 8.4190 118.6227 61.2223 62.3691 176.1933 135 A 5.1358 7.6486 123.4274 54.9888 18.4723 179.2459 136 G 4.0184 8.5970 104.0873 48.4934 0.0000 175.5000 137 I 3.7148 8.2746 122.4422 63.8406 37.1382 178.4679 138 A 3.9108 8.6735 119.7803 54.3549 18.1037 178.5591 139 A 4.7294 7.9320 118.1204 53.1086 19.6518 177.4373 140 I 3.7771 7.6224 120.3672 62.0646 37.9739 177.0358 *141 S 4.2715 8.3694 116.5027 58.6338 62.8193 171.4409 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 A 8.25 4.34 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 3 T 8.00 4.59 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 4 T 9.17 4.15 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 5 A 8.47 3.98 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 K 8.03 3.96 0.00 1.83 1.90 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.55 7.81 7 E 8.34 4.00 0.00 2.29 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 2.35 2.37 0.00 8 E 8.62 3.99 0.00 2.13 1.99 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 2.33 2.47 0.00 9 M 8.47 3.99 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.52 0.00 10 A 8.29 4.24 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 11 R 8.31 4.07 0.00 2.10 2.24 0.00 2.80 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.67 0.00 12 F 8.29 4.04 0.00 3.03 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 13 W 8.18 4.10 0.00 3.57 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 14 E 8.05 3.95 0.00 2.32 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 0.00 2.37 2.51 0.00 15 K 8.82 3.77 0.00 1.85 1.75 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.44 7.81 16 N 8.15 4.15 0.00 2.31 2.55 0.00 0.00 6.95 7.07 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 17 T 8.46 4.05 4.30 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 1.44 0.00 0.00 18 K 7.55 4.42 0.00 1.89 1.91 0.00 1.59 0.00 0.00 1.87 0.00 0.00 3.16 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.77 1.33 7.81 19 S 7.73 4.63 0.00 3.96 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 0.00 20 S 8.27 4.71 0.00 3.97 3.95 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 21 R 8.68 4.15 0.00 1.69 1.87 0.00 3.25 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 22 P 0.00 4.55 0.00 2.19 2.05 0.00 3.75 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 1.98 1.95 0.00 23 L 8.16 4.45 0.00 1.65 1.67 0.99 0.99 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 24 S 8.56 4.32 0.00 4.05 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 25 P 0.00 4.60 0.00 2.21 2.11 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 26 H 8.26 4.82 0.00 3.24 3.25 0.00 5.48 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 27 I 8.76 3.65 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 1.60 1.37 0.95 0.00 0.00 28 S 8.02 4.42 0.00 4.05 3.99 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 29 I 6.92 4.44 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.82 0.94 0.00 0.00 30 Y 8.12 3.77 0.00 3.09 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 31 K 7.29 4.14 0.00 1.53 1.37 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.45 7.81 32 W 8.76 4.53 0.00 3.37 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 33 S 8.41 4.86 0.00 4.07 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 34 L 8.51 4.06 0.00 1.86 1.79 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.35 0.00 2.27 2.18 0.00 3.70 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 36 M 8.29 4.08 0.00 2.39 2.09 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 2.41 2.33 0.00 37 A 8.57 4.43 1.50 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 38 M 8.90 4.48 0.00 2.30 2.41 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.74 0.00 39 S 8.17 4.33 0.00 4.19 4.13 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 40 I 7.88 4.08 2.09 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 1.21 0.00 0.00 41 T 8.08 3.92 4.43 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 0.60 0.00 0.00 42 H 8.47 4.49 0.00 3.73 3.68 0.00 5.58 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.82 4.06 0.00 2.11 2.24 0.00 3.22 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 1.68 1.69 0.00 44 G 8.53 3.69 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 0.00 0.00 0.00 45 T 8.34 4.00 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 1.27 0.00 0.00 46 G 8.05 3.43 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 0.00 47 V 7.93 3.56 2.25 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 1.05 0.00 0.00 1.01 0.00 0.00 48 A 8.20 4.08 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 49 L 8.40 3.89 0.00 1.69 1.63 0.75 0.86 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 50 S 8.32 4.09 0.00 4.04 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 51 L 8.48 4.12 0.00 1.65 1.72 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.19 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 53 V 8.38 3.66 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 1.03 0.00 0.00 0.90 0.00 0.00 54 S 8.19 4.37 0.00 4.08 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 55 L 7.98 4.10 0.00 1.88 1.74 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.36 4.20 0.00 3.02 3.20 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 57 S 8.09 3.99 0.00 4.10 4.14 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 58 L 7.80 3.94 0.00 1.95 1.73 0.91 0.62 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 59 A 8.04 3.91 1.22 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 0.00 0.00 60 A 7.51 3.76 1.04 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 61 L 7.59 4.35 0.00 1.72 1.69 0.89 0.73 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 62 L 7.59 4.60 0.00 1.56 1.66 0.90 0.96 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 63 L 7.73 4.38 0.00 1.70 1.69 0.59 0.92 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 64 P 0.00 4.38 0.00 2.07 2.14 0.00 3.80 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 2.07 2.15 0.00 65 E 7.94 4.46 0.00 1.57 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 2.20 1.85 0.00 66 Q 8.29 4.67 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 67 F 8.94 4.36 0.00 3.16 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 68 P 0.00 4.16 0.00 2.23 2.14 0.00 3.82 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 69 H 8.35 4.00 0.00 3.12 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 7.98 4.04 0.00 3.15 2.94 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 71 V 7.41 3.31 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 1.04 0.00 0.00 0.34 0.00 0.00 72 A 8.10 3.87 1.27 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 0.00 0.00 0.00 73 V 7.77 3.36 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 0.80 0.00 0.00 0.67 0.00 0.00 74 V 7.70 3.74 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 0.98 0.00 0.00 0.98 0.00 0.00 75 K 8.24 4.14 0.00 1.93 1.83 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.56 7.81 76 S 7.86 4.55 0.00 4.01 3.93 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 0.00 0.00 0.00 77 L 7.39 4.45 0.00 1.72 1.73 0.96 0.90 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 78 S 7.35 3.60 0.00 4.07 4.18 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 79 L 7.57 4.39 0.00 1.67 1.65 0.93 1.03 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 80 S 8.59 4.15 0.00 4.05 4.03 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 81 P 0.00 4.23 0.00 2.19 2.18 0.00 3.64 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 2.18 0.00 82 A 8.16 4.35 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 83 L 7.92 3.88 0.00 1.76 1.90 0.94 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.99 3.71 2.05 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 1.44 0.66 0.98 0.00 0.00 85 Y 9.07 4.00 0.00 2.99 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 86 S 9.11 4.13 0.00 4.04 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 87 A 8.43 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 88 K 8.08 3.80 0.00 1.80 1.82 0.00 1.90 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.73 7.81 89 F 8.28 3.80 0.00 2.82 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 90 A 8.14 4.00 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 0.00 0.00 91 L 7.79 4.06 0.00 1.91 1.68 0.89 1.10 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 92 V 8.11 3.82 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 0.70 0.00 0.00 0.86 0.00 0.00 93 F 8.14 4.12 0.00 2.92 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 94 P 0.00 4.42 0.00 2.12 2.15 0.00 4.13 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 2.35 2.11 0.00 95 L 7.78 3.89 0.00 1.67 1.71 0.81 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.40 3.83 0.00 3.95 3.75 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 97 Y 8.35 4.33 0.00 2.49 2.93 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 0.00 0.00 0.00 98 H 8.82 4.08 0.00 3.35 3.30 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.18 3.69 3.78 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 0.00 0.00 0.74 0.00 0.00 100 W 7.74 4.30 0.00 3.17 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 0.00 101 N 8.24 4.18 0.00 2.08 2.54 0.00 0.00 7.19 8.77 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 0.00 102 G 8.06 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.78 3.78 2.04 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 0.88 0.00 0.00 104 R 7.56 3.37 0.00 1.48 1.45 0.00 2.76 0.00 0.00 2.71 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.97 0.00 105 H 7.90 4.29 0.00 3.29 3.36 0.00 5.68 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 0.00 106 L 8.04 4.25 0.00 1.66 1.73 0.89 0.83 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 0.00 107 V 7.84 3.70 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 1.08 0.00 0.00 0.87 0.00 0.00 108 W 8.03 4.68 0.00 3.68 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 0.00 109 D 8.63 4.72 0.00 2.84 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 0.00 110 M 8.16 4.42 0.00 2.04 2.35 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 2.89 2.59 0.00 111 G 9.00 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 0.00 112 K 8.31 4.77 0.00 1.85 1.75 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.48 7.81 113 G 9.03 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 0.00 114 F 8.28 4.25 0.00 3.15 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 0.00 115 K 7.85 4.09 0.00 2.01 1.79 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.54 7.81 116 L 8.84 4.01 0.00 1.78 1.71 0.95 0.82 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 0.00 117 S 8.06 4.27 0.00 4.11 4.13 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 0.00 118 Q 8.15 4.48 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.26 0.00 119 V 7.70 3.86 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 1.20 0.00 0.00 1.04 0.00 0.00 120 E 8.16 4.09 0.00 2.20 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 2.50 2.53 0.00 121 Q 7.94 3.95 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 122 S 8.71 4.12 0.00 3.74 4.03 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 0.00 123 G 8.04 3.53 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 0.00 124 V 7.69 3.64 2.21 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 0.98 0.00 0.00 0.98 0.00 0.00 125 V 8.03 3.44 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 0.75 0.00 0.00 0.89 0.00 0.00 126 V 8.03 3.34 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 0.84 0.00 0.00 0.82 0.00 0.00 127 L 8.31 4.05 0.00 1.88 1.80 1.02 1.01 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 0.00 128 I 7.72 3.79 1.84 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 1.48 0.94 0.89 0.00 0.00 129 L 7.99 3.72 0.00 0.86 0.13 -0.04 0.14 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 0.00 130 T 7.93 3.99 4.46 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 0.77 0.00 0.00 131 L 7.90 4.29 0.00 2.13 1.90 1.28 0.80 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 0.00 132 L 8.45 4.08 0.00 1.65 1.73 0.88 0.89 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 0.00 133 S 8.54 4.28 0.00 4.25 4.56 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 0.00 134 S 8.42 3.99 0.00 4.02 3.08 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 0.00 0.00 0.00 0.00 135 A 7.65 5.14 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 0.00 0.00 0.00 0.00 0.00 136 G 8.60 4.02 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 0.00 0.00 0.00 137 I 8.27 3.71 2.12 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 1.47 0.70 0.90 0.00 0.00 138 A 8.67 3.91 0.85 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 0.00 139 A 7.93 4.73 1.61 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 0.00 0.00 140 I 7.62 3.78 2.01 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 1.21 0.88 0.95 0.00 0.00 *141 S 8.37 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.