NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.5197 8.1744 117.3808 63.7058 69.7486 172.8796 8 I 4.2116 8.8689 126.8932 61.5779 39.8642 173.8899 9 N 4.7183 8.0195 116.7770 52.0824 43.3459 173.0857 10 V 4.7420 7.9976 122.0186 61.2898 34.2164 174.3217 11 Y 4.8125 8.9704 124.5355 56.0978 41.5797 174.7825 12 E 4.4976 9.0693 124.0306 56.0744 30.4135 178.0519 13 A 3.7689 8.9487 127.5169 55.2357 18.5497 178.5541 14 E 4.1390 8.0044 110.4110 56.4013 30.4710 176.2698 15 D 4.3498 7.8404 120.7468 54.5890 41.4568 175.4234 16 P 4.4103 0.0000 0.0000 64.2830 31.6768 177.1238 17 A 4.1226 8.4522 122.3431 54.6121 18.7942 177.6011 18 N 4.7749 8.1094 113.6728 53.4153 40.4828 174.2349 19 T 4.8058 8.6193 117.4165 61.9421 70.9712 173.5703 20 L 4.8659 8.4943 126.1843 52.8497 43.9208 176.1383 21 G 3.2887 7.4439 111.6686 43.6699 0.0000 174.3208 22 G 3.7688 8.5889 110.3148 46.8027 0.0000 175.7102 23 A 4.1421 8.7105 126.4075 52.8539 18.8032 177.6516 24 A 4.7714 7.6794 118.8988 52.0785 19.1509 177.7042 25 V 4.4870 8.6336 120.0421 60.0290 35.3479 174.4417 26 R 4.4243 8.4804 122.5462 56.4027 30.7137 175.9427 27 Q 4.4862 8.4998 121.8040 54.0072 33.4749 174.5601 28 R 4.6646 8.4866 120.9358 56.2091 31.6247 176.0075 29 D 4.6447 9.1108 123.0786 53.5520 44.0158 175.8572 30 N 4.5038 9.2367 124.2321 55.6798 38.7868 176.0056 31 A 4.2176 8.4212 119.7430 53.1995 19.2625 177.3843 32 A 3.8380 7.7251 119.4704 50.2126 20.3388 176.8322 33 S 4.1025 7.9536 114.3992 59.8721 62.6497 175.7859 34 G 3.8670 9.1182 115.0935 45.2029 0.0000 173.9952 35 G 3.9317 8.8775 107.6714 45.7706 0.0000 172.9555 36 Q 5.2049 7.5437 115.6972 54.7516 33.5179 172.9353 37 Y 4.8937 8.5964 118.1652 56.1273 42.5567 173.4679 38 V 4.6005 9.1499 119.7149 61.1543 34.1003 174.8206 39 G 4.3724 8.7984 114.5385 43.6925 0.0000 172.2303 40 W 3.6468 7.6428 115.9868 57.5599 26.6382 175.5476 41 I 4.3753 8.3188 119.5226 62.6179 36.9188 176.0007 42 G 3.9907 9.2036 114.5638 45.6776 0.0000 171.2344 43 N 3.9909 8.9861 116.2970 54.6068 38.0493 174.3565 44 G 4.1405 7.7160 103.1173 43.5540 0.0000 176.0432 45 S 4.4645 8.6875 117.9413 60.0811 63.4372 174.9201 46 N 4.7025 8.2171 118.3386 54.7591 38.0132 174.3287 47 N 5.3720 8.1718 119.8096 51.9295 37.0337 173.1754 48 Y 5.2921 7.3683 119.6646 54.8573 42.7870 175.2448 49 L 5.0742 9.0983 121.9160 53.3765 44.9328 174.6257 50 Q 5.3142 9.3741 128.1640 54.3522 31.8673 174.1321 51 F 5.1265 9.5908 126.3247 56.6190 40.0979 174.4514 52 N 5.0117 9.0362 121.2052 51.8401 40.5500 174.5382 53 N 4.0344 8.4156 116.9663 54.4152 36.0182 175.9506 54 V 3.3392 7.9582 119.3727 62.5210 32.6759 174.4915 55 Y 5.0766 8.6404 130.3522 56.1530 40.0972 175.2336 56 V 4.5605 7.5834 119.0192 58.8842 35.6586 174.9481 57 P 4.5091 0.0000 0.0000 64.2855 31.9915 176.3819 58 Q 4.5258 7.3656 117.0200 53.4701 32.2675 174.9051 59 A 4.1470 8.7149 125.0049 51.1516 19.1421 177.5729 60 G 3.8583 7.0390 109.8219 45.3490 0.0000 170.9016 61 T 4.8326 7.7099 116.3261 62.9609 69.3197 174.5065 62 Y 4.6937 9.3451 123.2977 56.1344 42.4612 174.6189 63 R 4.6715 8.8335 120.4773 55.3346 32.0829 175.2411 64 M 4.8315 8.9993 125.1589 54.0294 34.0584 174.8149 65 V 4.5270 8.9542 128.2600 61.9397 33.2491 174.5955 66 V 4.6095 9.0840 129.4291 61.4127 33.5324 173.9738 67 Q 5.3753 9.0567 130.1216 54.7197 30.7871 174.2477 68 F 5.5428 8.9608 120.2941 55.7415 42.2388 172.7818 69 A 4.7018 8.9244 120.5846 50.2388 22.4964 175.4032 70 N 4.2077 8.6570 119.7748 52.5603 41.8455 174.2890 71 A 4.4397 5.8000 129.6771 51.1525 19.9329 175.4297 72 E 4.3023 8.1645 120.5880 58.0024 30.2515 176.4065 73 V 4.9203 8.3235 119.9225 60.4234 35.4580 175.9298 *74 F 4.3496 8.7313 122.1152 59.0842 39.2157 177.8027 *82 N 4.7133 7.6461 119.5272 53.0403 38.2142 176.5470 83 V 4.4566 7.9281 117.0972 60.9584 32.9518 175.5995 84 V 4.6837 8.1304 115.3906 59.5426 35.4730 175.3279 85 D 4.9435 8.7652 121.6769 54.5740 42.5252 175.3593 86 R 4.9201 8.8073 120.0514 54.7155 32.8460 174.7683 87 Y 4.6306 8.6513 124.7240 57.0679 40.6300 173.4765 88 C 4.6816 8.1051 125.0758 57.6457 35.7280 172.7058 89 S 4.4294 8.5566 121.8648 57.4393 64.3649 173.1596 90 I 4.6678 8.2354 124.4122 59.3763 40.2584 174.2552 91 S 4.9050 9.0613 122.4164 56.4014 65.0448 172.5708 92 V 4.5004 8.4118 127.1191 61.7300 33.1913 175.3966 93 N 4.3578 9.2404 126.1468 53.3730 36.5730 175.3637 94 G 3.8061 8.5019 102.9385 45.8122 0.0000 174.5430 95 G 3.9033 7.9798 109.7539 43.6529 0.0000 171.7713 96 P 4.5747 0.0000 0.0000 62.3634 31.8526 176.3486 97 E 4.3085 8.8572 120.7881 56.4984 30.7013 175.7564 98 K 4.4177 9.0067 125.1855 54.5986 34.0397 175.4315 99 G 4.3252 8.5917 115.0044 45.5987 0.0000 172.0747 100 H 4.7528 8.2154 122.4805 54.2576 33.6394 171.5131 101 Y 4.7999 8.3023 123.0686 56.7910 39.1555 174.8653 102 F 4.3695 9.1852 125.0202 55.6782 40.5353 176.1473 103 F 5.0497 8.6109 118.8246 56.3767 38.9277 173.9308 104 N 4.8754 8.9472 118.3166 53.0610 39.5231 174.7897 105 T 4.2132 8.8839 115.2835 61.3639 69.5331 176.4800 106 R 3.9566 8.7090 120.1655 56.5010 28.9304 176.1863 107 G 3.9784 7.0475 106.3789 43.9191 0.0000 174.5900 108 W 4.1070 8.4678 122.7290 58.2034 29.3594 176.7104 109 N 4.8373 7.8362 113.6961 51.6482 36.9996 174.0761 110 T 4.3661 7.1276 115.9439 62.5506 70.0540 173.2500 111 Y 4.6263 8.4922 124.6393 56.3416 39.8672 175.4244 112 R 4.9000 8.2658 122.6826 54.4367 34.7426 174.1412 113 T 5.9475 8.5135 108.5705 59.6673 71.7880 172.7725 114 D 5.0883 8.9039 120.7041 53.1912 45.4018 173.4281 115 I 5.1103 8.4144 122.7957 59.6299 39.7633 175.1874 116 I 4.5522 8.6658 126.5629 59.4953 40.7638 174.4742 117 D 5.0782 8.7823 126.8685 54.2500 41.8919 176.2616 118 V 4.5433 8.9135 115.4689 59.7548 36.1927 173.8053 119 Y 4.8774 8.7206 125.6357 56.4979 39.6852 174.4597 120 L 4.8045 8.2976 126.6541 52.8654 45.2372 176.1191 121 N 4.7830 8.8787 119.1318 51.9700 39.6260 175.3552 122 A 3.9484 8.1963 123.5992 53.9232 19.6764 178.4965 123 G 3.6595 8.4432 107.9882 44.0632 0.0000 171.9369 124 N 5.0803 8.4080 118.0005 53.2226 39.6050 174.6245 125 N 5.2395 8.9102 119.2037 51.6796 43.4068 173.2796 126 T 5.1284 8.3543 110.1417 60.2126 72.2353 173.3242 127 I 4.7913 8.8220 123.6933 59.8753 41.0577 174.0230 128 R 5.3584 9.1421 128.3785 54.6084 32.7369 174.4764 129 F 5.4596 9.7409 125.3002 56.0099 41.6881 174.2240 130 Y 5.2599 8.5647 120.4779 56.2935 42.2522 173.2497 131 N 5.1281 8.8192 117.7904 52.2560 41.6416 174.8135 132 G 3.9751 9.2243 114.9501 46.7538 0.0000 172.9510 133 T 4.2134 8.2712 119.1152 62.2223 69.0762 174.4765 134 S 4.3948 8.6215 121.6146 60.0377 63.1141 174.9295 135 G 3.9367 9.7669 112.9184 45.2834 0.0000 172.6443 136 S 4.8413 7.8068 115.3412 56.5394 64.5727 172.3595 137 Y 5.2107 8.5698 123.5463 55.8198 40.7540 175.4697 138 A 4.6963 9.1092 124.8777 50.4806 19.3643 175.5516 139 P 4.5145 0.0000 0.0000 62.7912 32.2349 175.7905 140 N 4.7263 8.8943 118.3474 53.5275 39.7958 174.2012 141 I 4.4099 8.5388 124.3422 60.1090 39.2244 175.6906 142 D 4.5380 9.4550 128.2310 55.9755 42.1996 175.9135 143 K 5.2123 7.5633 115.0029 56.3244 35.7509 173.3222 144 I 5.2504 8.8867 113.6681 59.1117 41.2935 174.1593 145 A 5.2495 9.0587 124.1952 50.3383 22.8321 174.9049 146 I 4.9680 8.9628 121.8500 59.4726 39.9223 174.5963 147 A 5.0803 9.0568 128.7202 49.6557 22.0515 176.0634 148 A 4.0585 8.7709 123.6567 52.4721 18.5313 177.3444 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 7 T 8.17 4.52 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 1.23 0.00 0.00 8 I 8.87 4.21 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.03 1.06 0.00 0.00 9 N 8.02 4.72 0.00 2.79 2.20 0.00 0.00 6.62 7.68 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 10 V 8.00 4.74 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 0.82 0.00 0.00 0.88 0.00 0.00 11 Y 8.97 4.81 0.00 2.95 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 12 E 9.07 4.50 0.00 1.95 2.22 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 2.43 2.28 0.00 13 A 8.95 3.77 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 14 E 8.00 4.14 0.00 2.03 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 2.25 2.21 0.00 15 D 7.84 4.35 0.00 2.93 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.41 0.00 2.21 2.14 0.00 3.83 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 17 A 8.45 4.12 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 18 N 8.11 4.77 0.00 2.63 2.64 0.00 0.00 6.69 6.47 0.00 0.00 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 8.62 4.81 4.42 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 1.29 0.00 0.00 20 L 8.49 4.87 0.00 1.36 1.43 0.80 0.88 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 21 G 7.44 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.59 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 23 A 8.71 4.14 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 24 A 7.68 4.77 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.63 4.49 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 0.80 0.00 0.00 0.88 0.00 0.00 26 R 8.48 4.42 0.00 1.63 1.95 0.00 3.09 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 27 Q 8.50 4.49 0.00 1.17 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.99 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 28 R 8.49 4.66 0.00 1.98 1.88 0.00 3.34 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.19 0.00 29 D 9.11 4.64 0.00 3.09 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 30 N 9.24 4.50 0.00 2.79 2.90 0.00 0.00 7.14 7.35 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 31 A 8.42 4.22 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 32 A 7.73 3.84 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 33 S 7.95 4.10 0.00 3.87 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 34 G 9.12 3.87 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 0.00 0.00 0.00 35 G 8.88 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 36 Q 7.54 5.20 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.61 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 37 Y 8.60 4.89 0.00 3.31 3.05 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 38 V 9.15 4.60 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 0.96 0.00 0.00 0.87 0.00 0.00 39 G 8.80 4.37 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 0.00 40 W 7.64 3.65 0.00 3.62 3.42 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 41 I 8.32 4.38 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.69 1.16 0.00 0.00 42 G 9.20 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 0.00 0.00 0.00 43 N 8.99 3.99 0.00 2.15 2.83 0.00 0.00 7.27 8.00 0.00 0.00 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 G 7.72 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 0.00 0.00 0.00 45 S 8.69 4.46 0.00 3.72 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 46 N 8.22 4.70 0.00 2.99 3.17 0.00 0.00 6.19 6.96 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 47 N 8.17 5.37 0.00 2.99 2.92 0.00 0.00 6.37 7.63 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 48 Y 7.37 5.29 0.00 3.33 3.27 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 49 L 9.10 5.07 0.00 1.79 1.67 0.64 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 9.37 5.31 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.76 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 51 F 9.59 5.13 0.00 3.10 2.89 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 52 N 9.04 5.01 0.00 2.74 2.75 0.00 0.00 7.16 8.00 0.00 0.00 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 N 8.42 4.03 0.00 2.93 2.96 0.00 0.00 6.93 7.68 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 54 V 7.96 3.34 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 0.65 0.00 0.00 0.44 0.00 0.00 55 Y 8.64 5.08 0.00 3.10 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 56 V 7.58 4.56 1.70 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 -0.04 0.00 0.00 0.51 0.00 0.00 57 P 0.00 4.51 0.00 2.23 2.30 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 58 Q 7.37 4.53 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 59 A 8.71 4.15 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 60 G 7.04 3.86 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 0.00 0.00 0.00 61 T 7.71 4.83 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 62 Y 9.35 4.69 0.00 2.74 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 63 R 8.83 4.67 0.00 1.81 1.89 0.00 3.12 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.58 0.00 64 M 9.00 4.83 0.00 2.23 1.95 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 2.52 2.54 0.00 65 V 8.95 4.53 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 1.03 0.00 0.00 0.99 0.00 0.00 66 V 9.08 4.61 2.43 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 0.99 0.00 0.00 1.21 0.00 0.00 67 Q 9.06 5.38 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.38 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 68 F 8.96 5.54 0.00 3.11 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 69 A 8.92 4.70 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.66 4.21 0.00 2.91 2.90 0.00 0.00 6.80 7.99 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 71 A 5.80 4.44 -0.01 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 0.00 0.00 72 E 8.16 4.30 0.00 2.26 1.93 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 2.42 2.46 0.00 73 V 8.32 4.92 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 0.77 0.00 0.00 0.99 0.00 0.00 *74 F 8.73 4.35 0.00 2.31 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 0.00 0.00 0.00 0.00 *82 N 7.65 4.71 0.00 2.43 2.81 0.00 0.00 6.94 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.93 4.46 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 0.81 0.00 0.00 0.94 0.00 0.00 84 V 8.13 4.68 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 0.73 0.00 0.00 1.05 0.00 0.00 85 D 8.77 4.94 0.00 2.88 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 86 R 8.81 4.92 0.00 1.85 2.00 0.00 3.40 0.00 0.00 3.46 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 87 Y 8.65 4.63 0.00 2.76 2.68 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 88 C 8.11 4.68 0.00 2.97 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 89 S 8.56 4.43 0.00 2.72 2.91 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 90 I 8.24 4.67 1.71 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.49 0.50 0.00 0.00 91 S 9.06 4.91 0.00 4.01 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 92 V 8.41 4.50 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 1.10 0.00 0.00 0.89 0.00 0.00 93 N 9.24 4.36 0.00 2.88 2.87 0.00 0.00 6.97 8.22 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 94 G 8.50 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 95 G 7.98 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 0.00 0.00 0.00 96 P 0.00 4.57 0.00 2.09 2.07 0.00 3.77 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 1.98 1.96 0.00 97 E 8.86 4.31 0.00 1.90 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 2.36 2.35 0.00 98 K 9.01 4.42 0.00 1.77 1.61 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.34 7.81 99 G 8.59 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 0.00 100 H 8.22 4.75 0.00 2.90 2.70 0.00 5.77 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.30 4.80 0.00 2.83 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 0.00 102 F 9.19 4.37 0.00 2.82 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 0.00 103 F 8.61 5.05 0.00 3.04 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 0.00 104 N 8.95 4.88 0.00 2.78 2.81 0.00 0.00 6.95 7.70 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 0.00 105 T 8.88 4.21 4.09 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 0.00 0.00 0.94 0.00 0.00 106 R 8.71 3.96 0.00 1.92 2.04 0.00 3.14 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 107 G 7.05 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 W 8.47 4.11 0.00 3.23 3.09 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 0.00 0.00 0.00 109 N 7.84 4.84 0.00 2.86 2.90 0.00 0.00 6.25 7.71 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 0.00 110 T 7.13 4.37 4.21 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 1.11 0.00 0.00 111 Y 8.49 4.63 0.00 2.78 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 0.00 112 R 8.27 4.90 0.00 1.51 2.00 0.00 3.23 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.77 0.00 113 T 8.51 5.95 4.40 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 1.30 0.00 0.00 114 D 8.90 5.09 0.00 3.07 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 0.00 115 I 8.41 5.11 1.91 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 1.41 0.85 0.94 0.00 0.00 116 I 8.67 4.55 1.80 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 0.66 0.52 0.80 0.00 0.00 117 D 8.78 5.08 0.00 2.57 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 0.00 118 V 8.91 4.54 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 0.64 0.00 0.00 0.99 0.00 0.00 119 Y 8.72 4.88 0.00 3.01 2.91 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 0.00 120 L 8.30 4.80 0.00 1.34 1.26 0.47 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.88 4.78 0.00 2.67 2.72 0.00 0.00 6.91 6.89 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 0.00 122 A 8.20 3.95 1.19 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 0.00 0.00 123 G 8.44 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 0.00 124 N 8.41 5.08 0.00 2.67 2.79 0.00 0.00 6.52 8.00 0.00 0.00 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 N 8.91 5.24 0.00 2.60 2.57 0.00 0.00 6.45 6.36 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 0.00 126 T 8.35 5.13 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 1.22 0.00 0.00 127 I 8.82 4.79 1.98 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.69 0.77 0.00 0.00 128 R 9.14 5.36 0.00 1.87 1.82 0.00 2.71 0.00 0.00 2.55 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 129 F 9.74 5.46 0.00 2.99 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 0.00 130 Y 8.56 5.26 0.00 3.18 3.14 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 0.00 131 N 8.82 5.13 0.00 2.79 2.71 0.00 0.00 6.76 7.92 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 0.00 132 G 9.22 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.27 4.21 4.34 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 1.20 0.00 0.00 134 S 8.62 4.39 0.00 3.98 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 0.00 135 G 9.77 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 0.00 0.00 0.00 136 S 7.81 4.84 0.00 3.90 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 0.00 137 Y 8.57 5.21 0.00 2.88 2.79 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 0.00 138 A 9.11 4.70 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 0.00 139 P 0.00 4.51 0.00 1.98 1.92 0.00 3.47 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.44 0.00 140 N 8.89 4.73 0.00 2.72 2.85 0.00 0.00 7.24 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 0.00 141 I 8.54 4.41 1.78 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.68 0.78 0.00 0.00 142 D 9.46 4.54 0.00 2.64 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 0.00 143 K 7.56 5.21 0.00 2.03 2.12 0.00 1.51 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.42 7.81 144 I 8.89 5.25 1.77 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.23 0.68 0.00 0.00 145 A 9.06 5.25 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 0.00 146 I 8.96 4.97 1.94 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 1.29 1.21 0.79 0.00 0.00 147 A 9.06 5.08 1.26 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 0.00 0.00 148 A 8.77 4.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.