NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 G 3.9133 8.2085 109.7326 44.1991 0.0000 173.0633 7 A 4.5592 7.4459 121.3910 48.8999 22.2336 170.6556 8 V 3.8970 9.0188 122.3856 63.1667 33.5532 174.0371 9 I 4.2875 8.8519 129.0881 59.6777 38.3784 174.9846 10 A 4.5202 8.4840 130.3958 51.4895 18.8496 176.6304 11 C 4.5292 8.6458 121.6057 60.1319 28.1372 174.0235 12 H 4.8993 9.4882 121.9777 56.2639 29.4456 175.9836 13 T 4.7882 7.4272 109.5260 58.7574 73.0306 174.4135 14 K 3.9846 8.5756 122.5537 59.8552 32.2321 178.6905 15 Q 4.0031 8.1681 119.3185 59.1876 28.9989 177.8273 16 E 3.9442 8.4589 120.3232 59.1736 29.6279 178.4415 17 F 4.1321 8.2642 120.6067 61.6116 39.4286 176.6777 18 D 4.2880 8.6126 118.7334 57.7377 40.6312 179.1738 19 T 3.8019 8.0638 116.0722 67.0221 68.4171 176.6012 20 H 4.1293 7.9964 117.9922 58.9188 28.6314 177.8151 21 M 3.8097 8.0461 120.6600 58.3308 31.6842 178.5856 22 A 3.9527 8.0734 121.0025 55.1797 18.3906 179.2655 23 N 4.3166 8.1089 115.7198 56.4906 39.1559 177.1404 24 G 3.7297 8.1950 107.4756 47.8679 0.0000 175.3352 25 K 3.9237 7.8639 120.9618 59.3619 32.3105 178.3074 26 D 4.4946 8.2039 118.3287 57.2968 40.8071 178.3458 27 T 4.1930 8.1413 109.3667 62.1692 69.2427 176.1195 28 G 3.9348 7.8650 108.4480 45.2622 0.0000 173.8495 29 K 4.2087 7.3871 118.7026 55.4369 32.9803 176.6647 30 L 4.2426 8.3771 123.8212 55.5156 43.4837 175.6103 31 V 4.7622 8.7641 125.6577 61.0989 34.3246 173.9817 32 I 4.5550 8.3674 128.6437 59.4171 39.8669 174.4077 33 I 4.6377 8.5507 128.2562 59.4499 39.6680 174.3382 34 D 3.7186 8.6466 128.4408 52.8449 42.0246 175.2910 35 F 4.6445 8.5967 127.2110 56.8736 40.1010 175.1989 36 T 5.0609 8.7239 117.6712 60.6919 71.8482 171.9365 37 A 5.0626 8.2078 123.5412 50.3565 22.0669 177.5857 38 S 3.8894 8.2782 115.2442 61.1803 62.9514 176.2493 39 W 4.2595 7.5952 118.9347 58.3331 29.3233 176.7527 40 C 4.7903 8.2291 119.6806 54.8540 41.6620 173.6668 41 G 3.7085 8.7449 115.5256 47.8813 0.0000 172.7860 42 P 4.3469 0.0000 0.0000 65.1321 31.4186 179.4605 43 C 4.3400 8.1638 114.9185 60.1580 39.9871 176.1319 44 R 3.8445 7.7284 118.3689 59.1486 29.6627 178.9948 45 V 3.7290 7.5090 117.3210 66.0387 31.8776 177.6371 46 I 3.9377 7.9082 117.3711 62.9146 37.8535 177.2340 47 A 4.1131 7.8846 122.3757 55.1266 18.1491 177.9338 48 P 4.2483 0.0000 0.0000 65.6867 31.2591 178.8060 49 V 3.4235 7.6442 117.9377 65.6647 31.5505 177.3336 50 F 4.2292 8.3353 120.2845 61.4473 39.2714 176.8508 51 A 3.8484 8.1307 120.1459 55.1110 18.1534 179.1512 52 E 3.7787 8.0478 117.7154 59.7540 29.7059 178.7193 53 Y 4.4073 7.9526 116.6616 60.9799 37.3674 178.3415 54 A 2.0000 7.2407 121.6401 54.4628 18.1136 179.9092 55 K 4.3199 7.2764 116.7558 58.8391 32.1556 179.2934 56 K 3.8818 7.6748 119.2483 57.8175 33.6532 177.0323 57 F 5.0640 7.8246 117.3037 55.0159 38.8409 174.0536 58 P 4.4007 0.0000 0.0000 65.0569 31.7475 178.6359 59 G 3.7671 8.2614 106.2306 46.6355 0.0000 172.8187 60 A 4.9841 7.9546 121.1106 50.1519 22.2325 175.7423 61 I 4.4436 8.6624 120.7272 59.7828 39.4955 174.9537 62 F 4.9880 9.0315 126.1196 55.9174 40.9537 174.3755 63 L 5.2328 9.0380 124.7640 52.7525 44.5411 175.5274 64 K 4.7595 8.9972 124.5960 54.5506 34.8536 174.7570 65 V 4.3750 8.2186 127.4361 60.9228 34.0932 173.7811 66 D 4.9941 8.4965 128.6568 53.5265 41.4342 177.2034 67 V 3.6706 8.6952 121.0792 64.3725 31.5287 177.7850 68 D 4.5526 8.4668 119.9449 56.6702 41.1778 177.5196 69 E 4.1109 8.5137 119.0884 58.2948 30.3528 176.8195 70 L 4.7290 7.9300 119.4764 52.8249 41.3666 177.0830 71 K 4.1765 7.9248 121.6923 58.9517 32.2445 178.5960 72 D 4.4680 7.9329 118.5659 56.5370 39.6869 178.1582 73 V 3.7142 7.8039 119.7440 65.3952 31.4538 177.4450 74 A 4.1395 8.1598 120.3370 55.5275 18.0137 179.4067 75 E 4.0324 8.1597 115.4167 59.5581 29.5352 179.2508 76 A 3.9939 7.7094 119.9842 54.7948 18.4514 178.4997 77 Y 4.0350 7.9167 113.2739 57.6675 39.7720 175.3344 78 N 4.0441 8.5217 117.3253 54.2865 37.8980 174.3491 79 V 3.6532 7.1596 110.0434 61.9762 32.5643 176.8167 80 E 4.3797 8.4972 120.1912 56.5134 30.0386 175.7972 81 A 4.6233 7.3207 120.2925 51.1382 22.4089 175.4195 82 M 4.5613 8.3864 119.6566 52.8635 33.8828 174.7064 83 P 4.8028 0.0000 0.0000 62.6838 33.8511 174.9820 84 T 5.1323 8.2287 115.1940 61.9122 72.9841 173.0691 85 F 5.0922 9.5715 124.6286 55.7499 41.5590 174.5176 86 L 5.1664 8.8343 123.8225 52.9972 44.7001 175.3539 87 F 5.1409 9.3249 121.7370 55.8262 41.4704 174.6177 88 I 5.0918 9.0580 124.7913 59.3739 40.6738 174.6841 89 K 4.6036 9.1485 127.5243 55.4005 35.8098 175.5771 90 D 4.1440 9.8712 126.9779 55.3901 39.5439 174.2892 91 G 4.0393 8.3911 104.5729 45.3826 0.0000 173.2959 92 E 4.7253 7.7935 119.3581 53.8346 32.1780 175.2960 93 K 4.5845 8.7290 124.0605 56.8077 32.6148 176.6490 94 V 4.4201 8.8244 119.2228 61.8961 34.0581 174.6347 95 D 4.7304 8.0394 118.5659 54.0486 44.6357 173.6071 96 S 5.5173 8.3830 113.7482 57.4399 66.0138 173.8444 97 V 4.5519 9.2844 120.9580 61.2386 34.5436 174.3049 98 V 4.2536 8.7348 128.1414 63.1615 32.3041 176.6153 99 G 3.9995 9.3706 115.1569 45.4413 0.0000 173.7177 100 G 3.9714 8.2038 107.7647 44.5910 0.0000 176.9874 101 R 4.3307 7.4232 118.6688 54.8410 30.4030 177.0572 102 K 4.1733 8.3891 124.9750 59.8749 32.8560 178.8658 103 D 4.4092 8.1023 119.6433 57.2986 40.9118 178.0899 104 D 4.3920 8.1438 118.9087 57.4237 40.7605 178.8489 105 I 3.8809 7.8850 120.1648 64.6510 37.1719 177.8395 106 H 3.7013 8.2865 118.9233 59.5390 29.6269 177.1713 107 T 3.8181 8.4020 117.6685 66.7439 68.2206 176.7157 108 K 3.6714 7.8880 120.0942 59.1793 31.9428 179.2327 109 I 3.5381 7.7215 120.3051 64.4196 36.7843 178.3878 110 V 3.3428 7.0702 116.8493 66.0142 31.4296 177.5379 111 A 4.0511 7.7086 118.9006 55.0520 18.3105 179.0903 112 L 4.1737 7.8115 115.8509 57.0864 42.0182 178.9767 113 M 4.1466 7.8919 118.3173 57.6584 31.9224 176.5205 *114 G 3.7279 7.9716 111.6945 45.6958 0.0000 172.3541 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 6 G 8.21 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 0.00 0.00 0.00 7 A 7.45 4.56 1.18 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 0.00 0.00 8 V 9.02 3.90 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 1.04 0.00 0.00 0.86 0.00 0.00 9 I 8.85 4.29 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.54 0.75 0.00 0.00 10 A 8.48 4.52 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 11 C 8.65 4.53 0.00 2.94 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 12 H 9.49 4.90 0.00 3.15 3.43 0.00 5.60 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 7.43 4.79 4.28 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 1.25 0.00 0.00 14 K 8.58 3.98 0.00 1.89 1.91 0.00 2.10 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.79 1.61 7.81 15 Q 8.17 4.00 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 16 E 8.46 3.94 0.00 2.14 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 2.43 2.40 0.00 17 F 8.26 4.13 0.00 3.18 3.28 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 18 D 8.61 4.29 0.00 2.89 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 19 T 8.06 3.80 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 1.09 0.00 0.00 20 H 8.00 4.13 0.00 3.11 3.27 0.00 5.62 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 21 M 8.05 3.81 0.00 1.80 1.93 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 22 A 8.07 3.95 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 23 N 8.11 4.32 0.00 2.75 2.96 0.00 0.00 7.03 7.93 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 24 G 8.19 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 25 K 7.86 3.92 0.00 1.75 2.01 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 26 D 8.20 4.49 0.00 2.79 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 27 T 8.14 4.19 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 1.27 0.00 0.00 28 G 7.86 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 0.00 0.00 0.00 29 K 7.39 4.21 0.00 1.75 1.76 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.58 1.38 7.81 30 L 8.38 4.24 0.00 1.76 1.49 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.76 4.76 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 0.78 0.00 0.00 0.88 0.00 0.00 32 I 8.37 4.55 1.42 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.16 0.43 0.00 0.00 33 I 8.55 4.64 1.67 0.00 0.00 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 1.08 0.62 0.03 0.00 0.00 34 D 8.65 3.72 0.00 1.58 1.85 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 35 F 8.60 4.64 0.00 2.86 2.81 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 36 T 8.72 5.06 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 1.11 0.00 0.00 37 A 8.21 5.06 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 38 S 8.28 3.89 0.00 3.54 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 W 7.60 4.26 0.00 3.35 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 40 C 8.23 4.79 0.00 3.08 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 41 G 8.74 3.71 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 0.00 0.00 0.00 42 P 0.00 4.35 0.00 2.21 2.16 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 43 C 8.16 4.34 0.00 3.15 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.73 3.84 0.00 2.00 1.99 0.00 3.13 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 45 V 7.51 3.73 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 0.81 0.00 0.00 0.99 0.00 0.00 46 I 7.91 3.94 1.98 0.00 0.00 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 1.55 1.18 1.21 0.00 0.00 47 A 7.88 4.11 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.24 2.31 0.00 3.88 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 2.13 2.01 0.00 49 V 7.64 3.42 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 0.47 0.00 0.00 0.86 0.00 0.00 50 F 8.34 4.23 0.00 3.26 3.32 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 51 A 8.13 3.85 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 52 E 8.05 3.78 0.00 2.03 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 2.32 0.00 53 Y 7.95 4.41 0.00 3.12 3.19 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 0.00 0.00 0.00 54 A 7.24 2.00 0.70 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 0.00 0.00 55 K 7.28 4.32 0.00 1.79 1.78 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.28 7.81 56 K 7.67 3.88 0.00 1.65 1.42 0.00 1.59 0.00 0.00 1.43 0.00 0.00 2.69 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 1.06 7.81 57 F 7.82 5.06 0.00 3.51 3.04 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 58 P 0.00 4.40 0.00 2.20 2.18 0.00 3.86 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 59 G 8.26 3.77 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 0.00 0.00 0.00 60 A 7.95 4.98 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 61 I 8.66 4.44 1.84 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 1.26 0.82 0.91 0.00 0.00 62 F 9.03 4.99 0.00 2.79 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 9.04 5.23 0.00 1.59 1.60 0.79 0.86 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 64 K 9.00 4.76 0.00 1.92 1.65 0.00 1.56 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.22 1.22 7.81 65 V 8.22 4.37 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 0.58 0.00 0.00 0.42 0.00 0.00 66 D 8.50 4.99 0.00 2.72 2.51 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 67 V 8.70 3.67 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 0.88 0.00 0.00 1.05 0.00 0.00 68 D 8.47 4.55 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 69 E 8.51 4.11 0.00 1.94 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 0.00 2.31 2.35 0.00 70 L 7.93 4.73 0.00 1.60 1.47 0.90 1.02 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 71 K 7.92 4.18 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.69 7.81 72 D 7.93 4.47 0.00 2.82 2.81 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 73 V 7.80 3.71 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 0.28 0.00 0.00 0.71 0.00 0.00 74 A 8.16 4.14 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.16 4.03 0.00 2.15 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 2.34 2.49 0.00 76 A 7.71 3.99 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 77 Y 7.92 4.03 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.52 4.04 0.00 2.68 2.74 0.00 0.00 7.25 7.73 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 79 V 7.16 3.65 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 -0.07 0.00 0.00 0.82 0.00 0.00 80 E 8.50 4.38 0.00 1.93 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 2.23 2.26 0.00 81 A 7.32 4.62 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 82 M 8.39 4.56 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 83 P 0.00 4.80 0.00 1.91 2.11 0.00 3.70 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 2.14 2.12 0.00 84 T 8.23 5.13 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 1.22 0.00 0.00 85 F 9.57 5.09 0.00 3.04 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 86 L 8.83 5.17 0.00 1.65 1.63 0.85 0.86 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 87 F 9.32 5.14 0.00 3.20 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 88 I 9.06 5.09 1.89 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.11 1.03 0.00 0.00 89 K 9.15 4.60 0.00 1.83 1.61 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.43 7.81 90 D 9.87 4.14 0.00 2.77 2.66 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 91 G 8.39 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 92 E 7.79 4.73 0.00 2.04 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 2.44 2.36 0.00 93 K 8.73 4.58 0.00 1.87 1.82 0.00 1.83 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.59 7.81 94 V 8.82 4.42 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.07 0.00 0.00 95 D 8.04 4.73 0.00 2.55 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 0.00 0.00 0.00 96 S 8.38 5.52 0.00 4.07 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 97 V 9.28 4.55 2.40 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 1.17 0.00 0.00 1.14 0.00 0.00 98 V 8.73 4.25 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 0.86 0.00 0.00 0.98 0.00 0.00 99 G 9.37 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 0.00 100 G 8.20 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 7.42 4.33 0.00 1.90 1.94 0.00 3.28 0.00 0.00 3.44 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 102 K 8.39 4.17 0.00 2.10 2.11 0.00 1.52 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.68 7.81 103 D 8.10 4.41 0.00 2.74 2.78 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 0.00 104 D 8.14 4.39 0.00 2.85 2.73 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 0.00 105 I 7.89 3.88 2.20 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 1.19 0.00 0.00 106 H 8.29 3.70 0.00 3.03 3.39 0.00 5.60 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 0.00 107 T 8.40 3.82 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 1.15 0.00 0.00 108 K 7.89 3.67 0.00 1.37 0.74 0.00 1.24 0.00 0.00 1.04 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.20 1.28 7.81 109 I 7.72 3.54 1.46 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 1.36 1.20 -0.20 0.00 0.00 110 V 7.07 3.34 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 0.78 0.00 0.00 0.86 0.00 0.00 111 A 7.71 4.05 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 0.00 112 L 7.81 4.17 0.00 1.63 1.71 0.69 1.15 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 0.00 113 M 7.89 4.15 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.50 0.00 *114 G 7.97 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 * Residues marked with a * may have inaccurate shift predictions.