NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3564 8.0176 117.3791 63.6215 69.5549 173.0572 6 E 4.0016 7.4288 123.2199 56.9609 29.9057 175.1287 7 E 3.9205 7.5020 120.0722 59.3883 30.7651 180.1958 *8 Q 4.0267 8.1569 119.9281 60.7974 28.0205 181.2495 9 I 4.2915 7.5185 120.9158 64.0916 37.1956 178.3190 10 A 4.0060 7.9977 121.6571 55.4324 18.1068 179.6337 11 E 3.8933 8.7598 117.1716 59.6184 29.5095 179.6101 12 F 4.7337 8.2198 117.8251 60.5482 39.0894 177.6439 13 K 3.3786 8.2910 119.5362 59.0866 31.6920 178.8109 14 E 3.9899 8.1079 118.0534 59.1548 29.7672 178.9309 15 A 4.3009 8.8472 121.3842 55.2776 18.6258 179.2488 16 F 3.1444 8.4363 119.5917 61.3755 38.9147 177.6221 17 S 4.0971 7.6932 113.6282 61.5745 62.7293 176.2027 18 L 4.1041 7.6487 120.0174 57.7187 41.3598 179.5535 19 F 4.1184 8.0916 116.3809 59.9223 40.8304 176.3344 20 D 5.3524 7.7654 119.8830 52.4963 39.2208 176.7979 21 K 4.0217 7.8181 121.4313 58.6613 32.4629 177.8598 22 D 4.5881 8.2224 117.0094 52.3294 39.5856 176.7679 23 G 4.1073 7.8937 106.0749 46.8227 0.0000 173.9597 24 D 4.5462 8.2154 115.6833 53.0311 39.1790 177.2906 25 G 4.2268 8.9453 106.6357 46.7437 0.0000 173.7791 26 T 5.1292 7.9355 114.5857 62.0580 73.2380 173.5427 27 I 4.4021 9.1683 126.9489 60.2019 39.2324 175.5444 28 T 4.6973 8.7871 123.2096 60.8134 69.4566 175.6077 29 T 3.8898 8.6699 113.2091 64.9558 68.3191 176.1961 30 K 3.9271 8.0302 121.0468 59.2220 32.0902 178.4781 31 E 3.9031 8.2626 118.0533 59.5719 29.2973 178.7081 32 L 4.0981 8.2113 119.7782 58.6208 42.2039 179.2449 33 G 4.0003 8.8225 105.8292 48.5000 0.0000 175.6196 34 T 3.8888 7.9663 112.0076 63.8428 69.0814 176.4920 35 V 3.5441 7.8328 121.4291 66.0389 31.4814 177.7339 36 M 3.9547 7.8852 117.8223 58.6463 31.7142 178.4603 37 R 4.6659 7.7056 118.4382 59.0963 30.0989 178.2682 38 S 4.2977 7.6554 113.7491 60.4843 62.9605 174.4266 39 L 4.3547 7.8946 120.7924 54.8033 42.3317 176.4683 40 G 3.7860 8.3022 101.8849 46.1393 0.0000 175.1411 41 Q 4.4687 7.4424 116.1664 54.5024 33.2361 174.6068 42 N 4.7151 8.5014 121.7965 51.2504 38.5008 171.8082 43 P 4.7453 0.0000 0.0000 61.3939 33.2223 175.7984 44 T 4.4039 8.6905 114.9711 60.9861 68.6797 175.4520 45 E 3.9691 8.9737 125.8652 59.9406 29.3314 179.7428 46 A 4.0885 8.0040 119.8279 55.1053 18.4144 179.4418 47 E 3.9578 8.5552 117.7699 59.3374 29.5697 179.3727 48 L 4.0025 7.7795 118.5258 58.1119 41.7584 179.2849 49 Q 4.0504 8.4580 118.2387 59.2646 28.3695 179.0717 50 D 4.3794 7.9082 119.5034 57.5299 40.7266 178.6843 51 M 4.0991 8.0001 118.2733 58.2815 32.1987 178.7642 52 I 3.8757 7.9699 119.9607 64.5657 37.2115 177.7406 53 N 4.3557 8.1778 117.0640 56.5532 38.6710 175.5773 54 E 4.3416 7.8048 116.4873 57.0366 30.3976 177.0849 55 V 4.0120 7.8959 112.2246 61.8812 33.0388 175.5849 56 D 4.4169 7.9544 118.1363 53.4843 39.4613 175.5541 57 A 4.0757 8.1211 129.5180 54.9498 18.9137 179.2258 58 D 4.2176 7.6999 116.3551 54.5338 39.6490 177.3319 59 G 3.8430 7.6465 107.6713 46.5251 0.0000 173.0489 60 N 4.6703 8.5572 114.8622 52.2184 37.4539 175.9543 61 G 4.1598 8.2823 104.7243 47.0288 0.0000 173.7392 62 T 4.7121 7.8224 107.3334 60.3401 72.3771 173.6359 63 I 5.2146 8.8004 124.5318 59.8254 38.3409 175.2956 64 D 5.1415 8.8133 127.1993 51.7729 41.8923 177.1962 65 F 3.8474 8.4850 120.0837 61.2196 38.9340 175.3321 66 P 3.7974 0.0000 0.0000 65.3524 31.1458 178.4299 67 E 3.8776 7.6354 117.9474 59.1309 29.2973 179.2555 68 F 3.9874 8.3577 120.9221 61.2500 39.3652 176.9002 69 L 3.5079 7.7835 118.8329 58.5186 42.0178 178.4898 70 T 3.7291 8.2673 115.8167 66.7849 68.2328 175.7172 71 M 3.8152 7.9109 119.4251 59.2895 32.1515 178.4709 72 M 3.8145 7.9561 116.0553 56.6709 32.0153 176.7484 73 A 4.4591 7.1105 119.8888 51.2040 20.2643 176.6929 74 R 3.8484 7.3302 117.9187 56.6315 30.7238 177.2287 *75 K 4.2065 8.3814 121.2194 54.3108 31.6636 176.9483 76 M 4.6209 8.4413 127.0334 52.9797 34.1499 176.9071 *77 K 4.2371 8.4727 130.8319 56.1224 33.8578 174.7628 78 D 4.6495 8.8232 124.1865 56.7294 39.0712 179.4462 79 T 3.8590 7.9973 110.8521 64.6554 68.5578 175.7430 80 D 4.3739 8.0617 121.3163 57.0153 40.9052 178.7525 81 S 4.1968 8.3478 115.9623 61.5794 62.7815 176.6464 82 E 4.0558 8.5269 121.4970 59.4639 29.2558 178.8549 83 E 3.9342 8.1332 119.1896 59.2856 29.6032 178.4205 84 E 3.9855 8.3567 119.1341 59.4595 29.7356 178.7214 85 I 3.9164 8.0694 119.6792 64.4943 37.2077 177.9721 86 R 4.2003 8.9304 119.8439 60.0809 29.6490 178.0332 87 E 3.9983 8.8304 117.2915 59.1356 29.9050 178.2778 88 A 4.3268 8.4196 121.1559 55.0584 18.4239 179.3162 89 F 3.2687 8.9911 119.5243 61.3715 39.2801 177.5242 90 R 3.9205 8.2276 116.1736 58.8250 29.8409 178.5928 91 V 3.7435 7.3770 117.4325 65.2937 31.6526 177.6379 92 F 4.1867 7.6999 116.4927 59.3539 40.4049 176.3824 93 D 5.2505 7.6301 121.0032 51.8283 38.2436 176.0056 94 K 3.7669 8.2192 124.5825 58.8262 32.6139 177.0279 95 D 4.6228 8.3662 114.5410 52.2897 39.8873 175.9718 96 G 4.0496 7.7665 108.1009 46.8478 0.0000 173.7812 97 N 4.5631 8.5590 113.8549 52.5654 38.1863 175.8845 98 G 3.8454 9.9819 108.2499 45.4236 0.0000 172.7976 99 Y 5.3735 7.6227 114.9510 56.4541 42.6264 174.2834 100 I 4.7468 9.1453 123.0307 59.7597 40.2603 175.5215 101 S 5.1008 8.2060 120.6041 56.5475 66.0329 174.7469 102 A 3.9500 8.8136 120.1559 55.7080 17.9738 179.6767 103 A 3.9420 7.9804 118.3419 55.0869 18.4181 179.6559 104 E 3.6593 7.8467 117.5054 59.3637 29.6910 179.2380 105 L 4.1285 8.3034 120.8284 58.3611 42.2078 178.2364 106 R 3.8550 8.2750 118.9326 60.3147 29.7078 177.8698 107 H 4.4386 8.0371 116.3465 57.5943 28.6699 177.3864 108 V 3.7097 7.6956 121.5068 65.9777 31.5151 177.3555 109 M 4.0326 8.1762 118.0683 58.8755 31.7501 178.7467 110 T 3.8669 7.7370 108.9830 65.1745 68.6170 176.1765 111 N 4.3035 7.8833 118.0147 55.4105 38.5604 176.7036 112 L 4.1966 7.5744 119.0862 54.9837 42.0293 177.0975 113 G 3.9584 7.8774 107.2842 45.6621 0.0000 173.8613 114 E 4.1133 8.0409 117.2006 55.5877 29.1182 176.3510 115 K 4.1604 8.5456 126.7696 56.5129 32.8558 177.1947 116 L 4.8900 8.1546 122.0195 53.0187 45.4042 172.6890 117 T 4.6880 7.9385 111.6014 63.2668 71.1185 175.5868 118 D 4.4407 8.8799 125.0318 58.7757 40.7697 179.8736 *119 E 4.0885 8.3750 120.2210 61.8963 29.7616 181.4641 *120 E 4.2460 7.9670 118.2036 61.3241 29.7237 182.3022 121 V 3.8644 7.7034 112.8810 64.3253 31.6334 178.2410 122 D 4.4288 8.1414 119.8240 57.9047 40.9884 178.2567 *123 E 3.9648 8.5791 119.4604 61.3102 29.5044 181.4955 124 M 4.4195 7.6694 119.9731 57.7200 32.4011 178.7059 125 I 3.8585 7.7614 119.5162 64.5058 37.1939 178.7227 126 R 4.0214 7.9742 118.9000 58.9326 29.9584 178.8707 127 E 4.5658 8.5019 117.1592 56.1531 30.3811 177.7951 128 A 4.5804 8.0500 121.6951 54.8975 25.4722 178.0422 129 D 4.8518 8.4707 118.5707 54.9054 39.4495 176.0619 130 I 3.8963 8.2926 125.3536 63.9129 37.6318 178.3550 131 D 4.4054 7.6764 117.0181 54.6197 39.0109 176.9618 132 G 3.8390 7.6438 106.3801 46.8159 0.0000 173.6002 133 D 4.6241 8.1985 115.9289 52.1597 39.5915 176.7645 134 G 3.9460 8.8168 106.8403 46.4092 0.0000 173.5695 135 Q 4.6741 8.4589 117.3232 53.8045 32.4833 174.8774 136 V 4.5722 8.8478 124.1319 61.0731 33.1243 175.2732 137 N 5.3269 8.9235 126.1972 51.8244 40.0377 175.0616 138 Y 3.3281 8.4754 118.2403 60.7750 38.4210 177.7255 139 E 3.7946 8.2279 119.4282 59.1498 29.4546 177.8709 140 E 3.8964 8.9590 119.7492 59.4119 29.5461 178.2399 141 F 4.0656 8.5698 120.7495 61.4898 39.4217 177.1441 142 V 3.4102 7.8788 117.6461 66.2409 31.1681 177.9939 143 Q 4.1362 8.0120 115.7448 57.7213 28.5559 177.4256 144 M 4.6026 7.2782 115.7374 53.4849 32.3390 175.3465 145 M 4.1913 8.1604 128.6285 56.2440 30.5464 177.1437 *146 T 4.1069 8.6917 121.6754 61.8898 69.3371 174.0815 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 T 8.02 4.36 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 1.29 0.00 0.00 6 E 7.43 4.00 0.00 2.28 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 2.36 2.42 0.00 7 E 7.50 3.92 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 *8 Q 8.16 4.03 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.06 0.00 9 I 7.52 4.29 1.99 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.79 1.20 0.00 0.00 10 A 8.00 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.76 3.89 0.00 1.86 1.83 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 2.26 2.39 0.00 12 F 8.22 4.73 0.00 3.70 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 13 K 8.29 3.38 0.00 1.41 1.77 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.47 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.07 1.23 7.81 14 E 8.11 3.99 0.00 2.21 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 2.46 0.00 15 A 8.85 4.30 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 0.00 0.00 0.00 0.00 0.00 16 F 8.44 3.14 0.00 2.53 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 17 S 7.69 4.10 0.00 4.17 3.91 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 18 L 7.65 4.10 0.00 1.65 1.84 1.01 0.68 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 19 F 8.09 4.12 0.00 2.73 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.77 5.35 0.00 1.90 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 0.00 0.00 0.00 0.00 21 K 7.82 4.02 0.00 1.75 1.83 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.59 7.81 22 D 8.22 4.59 0.00 2.85 2.88 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 23 G 7.89 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 24 D 8.22 4.55 0.00 2.94 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.95 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 0.00 0.00 0.00 0.00 26 T 7.94 5.13 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 1.30 0.00 0.00 27 I 9.17 4.40 2.03 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.20 1.02 0.00 0.00 28 T 8.79 4.70 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 1.30 0.00 0.00 29 T 8.67 3.89 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 1.23 0.00 0.00 30 K 8.03 3.93 0.00 1.83 1.90 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.55 7.81 31 E 8.26 3.90 0.00 2.18 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 2.39 2.39 0.00 32 L 8.21 4.10 0.00 1.94 2.04 1.22 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.82 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 34 T 7.97 3.89 4.20 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 1.29 0.00 0.00 35 V 7.83 3.54 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 0.44 0.00 0.00 0.74 0.00 0.00 36 M 7.89 3.95 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.63 0.00 37 R 7.71 4.67 0.00 1.92 2.10 0.00 3.08 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 38 S 7.66 4.30 0.00 4.05 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 39 L 7.89 4.35 0.00 1.52 1.59 0.82 1.04 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 40 G 8.30 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.44 4.47 0.00 2.22 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 42 N 8.50 4.72 0.00 2.61 2.69 0.00 0.00 7.19 7.69 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 43 P 0.00 4.75 0.00 2.09 1.96 0.00 3.72 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 2.01 2.06 0.00 44 T 8.69 4.40 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 1.33 0.00 0.00 45 E 8.97 3.97 0.00 2.02 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 2.41 2.35 0.00 46 A 8.00 4.09 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 47 E 8.56 3.96 0.00 2.30 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 2.33 2.35 0.00 48 L 7.78 4.00 0.00 1.96 1.74 0.94 1.04 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 49 Q 8.46 4.05 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 50 D 7.91 4.38 0.00 2.84 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 51 M 8.00 4.10 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.60 0.00 52 I 7.97 3.88 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.58 0.98 0.00 0.00 53 N 8.18 4.36 0.00 2.99 2.99 0.00 0.00 7.29 7.25 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 54 E 7.80 4.34 0.00 2.13 2.05 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 2.54 2.33 0.00 55 V 7.90 4.01 2.05 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 0.63 0.00 0.00 1.04 0.00 0.00 56 D 7.95 4.42 0.00 2.71 2.63 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 0.00 0.00 0.00 0.00 57 A 8.12 4.08 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 58 D 7.70 4.22 0.00 2.87 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 59 G 7.65 3.84 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 0.00 0.00 0.00 60 N 8.56 4.67 0.00 2.90 3.05 0.00 0.00 6.95 7.80 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 61 G 8.28 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 0.00 0.00 0.00 0.00 62 T 7.82 4.71 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 1.29 0.00 0.00 63 I 8.80 5.21 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.08 1.12 0.00 0.00 64 D 8.81 5.14 0.00 2.73 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 65 F 8.48 3.85 0.00 2.03 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 66 P 0.00 3.80 0.00 2.10 1.95 0.00 3.80 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 2.06 2.08 0.00 67 E 7.64 3.88 0.00 2.42 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 2.31 2.47 0.00 68 F 8.36 3.99 0.00 3.33 3.25 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 69 L 7.78 3.51 0.00 1.04 1.26 0.77 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.27 3.73 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 1.12 0.00 0.00 71 M 7.91 3.82 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 72 M 7.96 3.81 0.00 0.70 1.27 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.43 0.00 73 A 7.11 4.46 1.11 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 74 R 7.33 3.85 0.00 1.77 1.85 0.00 3.09 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 *75 K 8.38 4.21 0.00 1.78 1.63 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.35 0.99 7.81 76 M 8.44 4.62 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 *77 K 8.47 4.24 0.00 1.80 1.67 0.00 1.88 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.44 1.06 7.81 78 D 8.82 4.65 0.00 2.87 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 79 T 8.00 3.86 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 80 D 8.06 4.37 0.00 3.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.35 4.20 0.00 4.03 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 82 E 8.53 4.06 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 83 E 8.13 3.93 0.00 2.21 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 0.00 2.33 2.49 0.00 84 E 8.36 3.99 0.00 2.29 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 0.00 2.41 2.44 0.00 85 I 8.07 3.92 2.26 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.87 1.11 0.00 0.00 86 R 8.93 4.20 0.00 2.04 2.26 0.00 3.02 0.00 0.00 2.92 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 87 E 8.83 4.00 0.00 2.32 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 0.00 2.37 2.52 0.00 88 A 8.42 4.33 1.81 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 89 F 8.99 3.27 0.00 2.72 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 90 R 8.23 3.92 0.00 2.08 2.02 0.00 3.23 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.93 0.00 91 V 7.38 3.74 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 0.58 0.00 0.00 1.02 0.00 0.00 92 F 7.70 4.19 0.00 2.81 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 93 D 7.63 5.25 0.00 1.91 2.35 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 94 K 8.22 3.77 0.00 1.69 1.88 0.00 1.60 0.00 0.00 1.55 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.47 7.81 95 D 8.37 4.62 0.00 2.84 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 96 G 7.77 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 0.00 0.00 0.00 97 N 8.56 4.56 0.00 2.97 3.10 0.00 0.00 6.50 7.00 0.00 0.00 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 G 9.98 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 99 Y 7.62 5.37 0.00 2.90 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 0.00 100 I 9.15 4.75 1.91 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.95 0.95 0.00 0.00 101 S 8.21 5.10 0.00 4.02 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 0.00 102 A 8.81 3.95 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 0.00 103 A 7.98 3.94 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 0.00 104 E 7.85 3.66 0.00 2.25 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 0.00 2.39 2.34 0.00 105 L 8.30 4.13 0.00 1.70 1.69 0.96 0.88 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 0.00 106 R 8.27 3.85 0.00 2.06 2.08 0.00 3.16 0.00 0.00 3.23 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 107 H 8.04 4.44 0.00 3.29 3.45 0.00 5.80 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.70 3.71 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 0.53 0.00 0.00 0.78 0.00 0.00 109 M 8.18 4.03 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.01 2.77 0.00 110 T 7.74 3.87 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 1.22 0.00 0.00 111 N 7.88 4.30 0.00 2.87 2.87 0.00 0.00 7.11 7.98 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 0.00 112 L 7.57 4.20 0.00 1.80 1.69 0.96 0.66 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 0.00 113 G 7.88 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 0.00 114 E 8.04 4.11 0.00 2.11 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 2.41 2.36 0.00 115 K 8.55 4.16 0.00 1.77 1.78 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.37 7.81 116 L 8.15 4.89 0.00 1.60 1.40 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.94 4.69 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 0.00 118 D 8.88 4.44 0.00 2.68 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 *119 E 8.37 4.09 0.00 1.97 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 2.32 1.96 0.00 *120 E 7.97 4.25 0.00 1.97 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 2.25 2.23 0.00 121 V 7.70 3.86 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 0.73 0.00 0.00 1.02 0.00 0.00 122 D 8.14 4.43 0.00 2.79 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 *123 E 8.58 3.96 0.00 1.97 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 0.00 2.24 2.23 0.00 124 M 7.67 4.42 0.00 2.00 2.30 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.45 0.00 125 I 7.76 3.86 2.10 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 1.54 0.81 0.92 0.00 0.00 126 R 7.97 4.02 0.00 2.07 1.97 0.00 3.11 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 127 E 8.50 4.57 0.00 2.15 2.15 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 2.50 2.32 0.00 128 A 8.05 4.58 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 0.00 129 D 8.47 4.85 0.00 2.75 2.63 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 0.00 0.00 0.00 0.00 130 I 8.29 3.90 2.01 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 1.47 0.90 0.92 0.00 0.00 131 D 7.68 4.41 0.00 2.83 2.86 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 0.00 0.00 0.00 132 G 7.64 3.84 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 0.00 0.00 0.00 133 D 8.20 4.62 0.00 2.70 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 0.00 134 G 8.82 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 0.00 0.00 0.00 135 Q 8.46 4.67 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.66 0.00 0.00 0.00 0.00 0.00 2.16 2.39 0.00 136 V 8.85 4.57 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 1.32 0.00 0.00 0.98 0.00 0.00 137 N 8.92 5.33 0.00 2.97 3.39 0.00 0.00 5.83 7.57 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 0.00 138 Y 8.48 3.33 0.00 2.09 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 0.00 139 E 8.23 3.79 0.00 2.08 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 2.42 2.33 0.00 140 E 8.96 3.90 0.00 2.54 2.05 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 2.33 2.52 0.00 141 F 8.57 4.07 0.00 3.27 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 0.00 142 V 7.88 3.41 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.15 0.00 0.00 143 Q 8.01 4.14 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 144 M 7.28 4.60 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.50 0.00 145 M 8.16 4.19 0.00 1.81 1.07 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.24 0.00 *146 T 8.69 4.11 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.