NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2806 8.1593 117.3739 63.5675 69.8261 173.8869 2 S 4.4971 8.3116 121.2329 55.7150 66.6498 173.3849 3 K 3.9995 9.2012 123.8520 59.6987 32.2680 179.6738 4 K 3.8349 8.1165 118.1437 59.7653 31.7995 178.7900 5 K 3.8354 7.5949 117.6640 59.3950 32.0679 177.9344 6 R 4.2849 7.6837 115.5045 56.8829 30.5988 178.0296 7 Q 4.1106 8.2473 119.4884 57.3606 28.4334 176.3398 8 R 4.0584 7.5380 118.9017 58.3827 30.1994 176.5260 9 G 4.0810 9.0667 111.4158 45.3879 0.0000 174.0444 10 S 4.2378 7.9040 113.0116 58.2740 63.7936 174.8823 11 R 4.1768 8.1196 125.9677 57.5916 29.1967 176.7007 12 T 4.3139 7.6610 104.6352 61.1350 69.7439 173.8816 13 H 4.7243 8.2471 118.3316 56.0765 26.8123 175.5378 14 G 3.9057 8.3332 103.3855 46.1877 0.0000 174.7430 15 G 3.8323 8.3082 107.6033 45.4422 0.0000 175.9356 16 G 3.9691 7.7723 107.3681 45.1148 0.0000 174.8335 17 S 4.2050 8.5709 118.3782 58.5663 62.6526 174.4229 18 H 4.4939 8.7729 120.5308 56.8417 28.4778 175.9393 19 K 4.0311 7.7008 119.1823 57.2989 31.8237 177.6083 20 N 4.3750 7.4335 117.4175 55.6931 39.2652 176.7717 21 R 4.3630 7.4611 119.8566 56.8047 28.7932 177.3632 22 R 4.6127 7.1439 122.7649 56.2696 30.5528 179.5820 23 G 3.9751 8.4760 121.7755 46.3391 0.0000 173.7171 24 A 4.2597 8.6702 120.5843 54.2031 18.4409 179.7798 25 G 3.7450 8.1500 104.5520 48.2046 0.0000 174.8907 26 H 4.4493 7.9051 117.5988 57.7659 29.9471 175.7388 27 R 4.3600 8.1231 117.8670 55.6576 30.8552 176.3395 28 G 3.8393 8.3729 106.1059 46.7333 0.0000 173.8542 29 G 4.1486 8.3325 105.6440 43.5598 0.0000 174.5573 30 R 3.9610 8.7224 121.2727 57.0561 31.6166 176.3262 31 G 3.7318 8.3355 113.2642 47.4975 0.0000 173.6113 32 D 4.6895 8.6196 123.5571 54.0874 40.6311 175.5474 33 A 4.1030 7.4141 122.3482 54.1727 18.6522 179.1604 34 G 3.7734 8.9810 110.1395 45.1686 0.0000 175.0500 35 R 3.6962 7.7822 117.1106 57.7782 29.2581 177.1819 36 D 5.0936 7.8814 115.6281 52.7470 41.4020 175.6265 37 K 4.4211 9.4843 118.6753 57.2112 32.3938 177.8875 38 H 4.4929 9.6995 125.6825 58.2217 28.7081 175.9179 39 E 4.7458 7.4298 121.6061 55.8025 30.6663 177.9136 40 F 4.9001 8.1592 115.0560 59.1044 38.6033 175.1214 41 H 3.5410 5.7204 115.3411 57.3757 28.7399 174.6340 42 N 4.2650 8.8437 120.9435 54.9506 35.7059 173.8022 43 H 4.9193 7.6801 112.2729 53.5886 32.2781 174.0472 44 E 4.1631 8.7163 123.0927 55.3228 29.9982 175.2729 45 P 4.4265 0.0000 0.0000 62.7492 31.7696 176.1115 46 L 4.1235 8.0415 119.2006 54.9822 42.2106 175.7809 47 G 4.2211 8.0292 105.5776 43.5990 0.0000 173.2668 48 K 4.6297 8.0739 119.1281 54.7816 34.3876 176.5025 49 S 4.3519 8.4214 115.1418 58.1408 65.1893 175.6310 50 G 4.0589 9.0473 118.2831 44.9597 0.0000 171.3414 51 F 5.0333 8.3620 112.4952 55.3596 41.0889 173.3562 52 K 4.2993 8.3533 118.9381 54.4519 35.0951 176.5076 53 R 4.4842 8.0833 121.6623 54.0692 31.4883 174.7052 54 P 4.2786 0.0000 0.0000 63.2502 31.2947 177.0350 55 Q 3.8815 8.9685 121.1778 59.0786 28.7635 178.6016 56 K 4.4339 7.9304 114.2242 56.8559 32.6695 176.9251 57 V 4.3526 8.0234 116.2394 62.9357 32.2413 174.8382 58 Q 4.6191 7.6058 116.6262 54.4992 30.2567 174.7111 59 E 4.5089 8.5609 121.1381 54.4205 31.8838 175.0070 60 E 4.4476 8.3447 123.7684 54.1814 31.6343 174.3823 61 A 3.8975 8.2280 129.2790 51.2844 19.6928 176.2158 62 A 4.4505 9.2894 125.8983 51.0787 20.0305 176.6789 63 T 5.4762 8.1364 112.0602 60.2221 71.8278 173.6401 64 I 4.4082 7.8221 119.5839 60.2733 41.4909 172.5707 65 D 5.2219 8.5230 127.7218 53.1073 42.5974 177.7444 66 V 3.5718 8.5490 116.2514 64.9625 31.6241 178.7692 67 R 3.9184 7.8224 117.8637 59.6682 29.5130 178.1722 68 E 3.9141 8.1860 118.1774 59.3158 30.0194 178.3520 69 I 3.7663 7.7242 119.3241 64.5998 37.0176 177.4568 70 D 4.3451 8.3362 118.1629 57.6643 41.1811 178.0901 71 E 4.2562 8.1284 116.5555 57.8862 29.4179 176.9250 72 N 5.0550 7.9947 116.8502 52.9455 40.5196 177.3402 73 V 3.2291 7.8931 113.0116 64.7127 31.8227 178.7533 74 T 3.8855 7.6002 108.0170 64.7406 68.4915 175.4810 75 L 4.0954 7.1933 120.9892 56.8603 41.9119 177.2072 76 L 4.4114 7.5960 120.0795 53.6706 41.4897 178.2520 77 A 3.9970 8.1429 122.6156 55.4348 18.7006 178.2616 78 A 4.4522 7.7414 117.7181 51.9503 18.8222 177.4077 79 D 4.5357 8.2651 119.4525 56.1821 45.7311 176.2646 80 D 4.2336 7.5706 122.0648 49.2357 41.5059 175.4595 81 V 4.5498 8.2881 121.0005 61.1247 34.2918 174.8066 82 A 4.1798 8.2049 133.0974 51.6366 20.5606 177.3493 83 E 3.8271 8.9816 110.0585 59.6766 30.0894 174.3899 *89 F 4.6238 7.7663 114.2932 57.8895 41.0104 174.1671 90 R 5.1080 8.7392 121.1743 54.6866 32.3439 174.8696 91 V 4.4941 8.5209 125.5445 59.8840 34.9764 174.7087 92 D 4.7458 8.7318 123.8347 52.8938 40.8244 176.3764 93 V 3.5900 8.4738 128.3176 66.3773 31.5991 178.3526 94 R 3.7790 7.7201 116.9350 59.4948 29.9001 177.9316 95 D 4.5725 8.2068 116.6058 55.3268 41.1214 178.2153 96 V 3.9338 8.0355 119.1655 63.9882 32.4002 176.3097 97 V 3.6186 7.2627 116.9717 63.0055 31.6402 175.4546 98 E 4.2154 8.5790 126.0015 56.9659 30.3222 176.7162 99 E 4.2998 9.0143 116.7090 57.2753 26.8451 175.4514 100 A 4.4230 7.5226 119.5310 52.7182 18.5676 178.1204 101 D 4.7644 7.9004 117.6949 57.0590 42.4116 178.4841 102 D 4.4683 7.9653 116.3215 53.3928 38.1013 174.9801 103 A 4.8201 7.6719 122.5320 50.8714 21.0856 178.2132 104 D 4.3761 8.5748 120.9891 55.6937 41.7527 175.8181 105 Y 4.7413 6.3171 116.5054 57.0601 41.6173 172.0849 106 V 4.7904 8.5781 121.3306 61.4130 33.6993 174.4084 107 K 4.7083 9.5005 129.6954 54.5543 35.2691 174.5777 108 V 4.5730 8.3840 127.8047 61.8073 33.0716 174.9442 109 L 4.5610 9.4374 128.7178 52.5882 44.5315 176.6791 110 G 4.5303 8.1826 107.0472 45.4824 0.0000 173.5524 111 A 4.6164 8.1585 120.9788 51.5814 21.6437 178.9445 112 G 3.9234 8.9359 108.7285 44.4531 0.0000 172.1674 113 Q 4.4631 8.1290 117.4110 54.2541 30.9386 175.5053 114 V 4.3177 7.8922 117.3923 61.9947 32.8324 174.3423 115 R 4.4603 8.6977 125.2186 56.1766 30.0712 175.8496 116 H 5.2361 7.7081 114.1814 53.8180 33.3319 172.5761 117 E 4.8591 8.8482 118.2396 55.1847 30.4108 175.7143 118 L 5.1067 8.6151 124.1035 53.0993 46.0285 175.8799 119 T 4.9863 8.9767 120.0781 62.0882 70.1911 172.5601 120 L 5.1712 8.7137 127.0811 53.1744 44.1623 175.7387 121 I 5.5806 8.5971 124.0763 59.0650 39.6276 174.6944 122 A 4.7980 8.6171 127.2013 50.8898 22.2642 176.1228 123 D 4.4320 8.6151 118.3269 56.8546 41.9981 176.2868 124 D 4.5703 7.0725 115.3195 53.5493 44.4013 174.1747 125 F 5.5198 9.0913 120.8304 54.8743 43.6224 173.8792 126 S 4.8109 8.5860 114.2179 56.9100 65.6319 174.7401 127 E 4.0273 9.2046 120.9031 60.1124 29.2629 179.9301 128 G 3.7420 8.2930 104.4457 47.9503 0.0000 175.2563 129 A 4.0561 7.7656 122.8111 55.0282 18.3834 179.9752 130 R 3.7625 8.0517 116.5051 59.4468 30.2328 178.8504 131 E 3.9430 8.3490 118.5667 59.5667 29.3811 179.8186 132 K 3.9224 7.9550 117.9302 59.6522 32.2090 179.7228 133 V 3.6427 7.9828 118.3483 65.7456 31.2582 177.8429 134 E 4.8140 7.9633 120.1316 58.4196 29.3839 178.9870 135 G 3.8239 8.4816 104.6371 46.8556 0.0000 173.6002 136 A 4.6003 7.8167 123.5726 51.8479 19.5617 176.9134 137 G 4.1027 8.3535 105.4798 48.7184 0.0000 173.6532 138 G 4.9363 7.8821 104.9546 42.9628 0.0000 172.2437 139 S 5.0937 8.9235 112.8297 56.4045 66.9960 173.4091 140 V 4.5157 8.1468 120.1586 61.2350 33.5987 174.2231 141 E 4.5786 9.3401 128.5121 54.6437 31.5490 174.9202 142 L 5.0083 8.4358 126.9345 54.3400 43.2097 176.3886 143 T 4.1474 8.7323 123.2074 63.5888 69.6747 175.1834 144 D 4.3427 8.7400 121.5647 57.4723 40.4751 179.0735 145 L 3.9620 8.0474 120.9056 57.8228 42.2714 178.7060 146 G 3.6994 7.5512 106.6260 47.1539 0.0000 173.9881 147 E 4.3355 7.8833 120.3223 57.0418 29.3641 176.8753 148 E 4.8006 7.3724 113.9658 56.3205 30.2675 178.4865 149 R 4.5648 7.4201 116.2236 52.1510 30.9278 176.1479 150 Q 4.3030 7.8619 121.4130 56.8631 29.3009 173.0773 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 1 T 8.16 4.28 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 1.20 0.00 0.00 2 S 8.31 4.50 0.00 4.09 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 3 K 9.20 4.00 0.00 1.84 1.85 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.12 3.83 0.00 1.84 1.87 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.53 7.81 5 K 7.59 3.84 0.00 1.68 2.04 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.54 7.81 6 R 7.68 4.28 0.00 1.94 1.93 0.00 3.21 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 7 Q 8.25 4.11 0.00 1.92 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.93 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 8 R 7.54 4.06 0.00 1.78 1.91 0.00 3.35 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 9 G 9.07 4.08 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 0.00 0.00 0.00 10 S 7.90 4.24 0.00 3.99 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 11 R 8.12 4.18 0.00 1.97 2.10 0.00 3.21 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 12 T 7.66 4.31 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 1.34 0.00 0.00 13 H 8.25 4.72 0.00 3.19 3.39 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.33 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 15 G 8.31 3.83 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 0.00 0.00 0.00 16 G 7.77 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 17 S 8.57 4.20 0.00 3.87 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 18 H 8.77 4.49 0.00 3.31 3.38 0.00 5.57 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.70 4.03 0.00 1.73 1.82 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.32 7.81 20 N 7.43 4.37 0.00 2.84 2.58 0.00 0.00 6.96 7.82 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 21 R 7.46 4.36 0.00 1.77 1.90 0.00 3.17 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 22 R 7.14 4.61 0.00 1.73 1.09 0.00 3.25 0.00 0.00 3.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 23 G 8.48 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 24 A 8.67 4.26 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 25 G 8.15 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 0.00 0.00 0.00 26 H 7.91 4.45 0.00 3.11 3.48 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.12 4.36 0.00 1.89 1.91 0.00 3.30 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 28 G 8.37 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 29 G 8.33 4.15 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 0.00 30 R 8.72 3.96 0.00 1.91 1.82 0.00 3.39 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 31 G 8.34 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 32 D 8.62 4.69 0.00 2.73 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 33 A 7.41 4.10 1.31 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 0.00 0.00 0.00 34 G 8.98 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 35 R 7.78 3.70 0.00 1.70 1.94 0.00 2.73 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 36 D 7.88 5.09 0.00 2.74 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 37 K 9.48 4.42 0.00 1.72 1.53 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.35 1.51 7.81 38 H 9.70 4.49 0.00 3.31 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.43 4.75 0.00 2.10 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 0.00 2.21 2.02 0.00 40 F 8.16 4.90 0.00 3.24 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 41 H 5.72 3.54 0.00 2.90 3.04 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.84 4.26 0.00 2.81 2.86 0.00 0.00 6.87 8.16 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 43 H 7.68 4.92 0.00 3.38 3.18 0.00 5.85 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 44 E 8.72 4.16 0.00 1.98 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 0.00 2.33 2.31 0.00 45 P 0.00 4.43 0.00 2.19 2.09 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 46 L 8.04 4.12 0.00 1.66 1.64 0.91 0.93 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 47 G 8.03 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 0.00 0.00 0.00 0.00 48 K 8.07 4.63 0.00 1.75 1.74 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.40 7.81 49 S 8.42 4.35 0.00 3.79 3.70 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 50 G 9.05 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.36 5.03 0.00 3.12 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.35 4.30 0.00 1.69 1.63 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.22 1.36 7.81 53 R 8.08 4.48 0.00 1.75 1.87 0.00 3.33 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.47 0.00 54 P 0.00 4.28 0.00 2.22 2.22 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 55 Q 8.97 3.88 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.12 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 56 K 7.93 4.43 0.00 1.86 1.88 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.42 7.81 57 V 8.02 4.35 2.20 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 0.85 0.00 0.00 0.95 0.00 0.00 58 Q 7.61 4.62 0.00 2.23 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.37 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 59 E 8.56 4.51 0.00 1.94 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.28 0.00 60 E 8.34 4.45 0.00 1.93 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 0.00 2.15 2.18 0.00 61 A 8.23 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 9.29 4.45 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 63 T 8.14 5.48 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 1.19 0.00 0.00 64 I 7.82 4.41 1.85 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 1.34 1.20 0.94 0.00 0.00 65 D 8.52 5.22 0.00 2.63 2.75 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 66 V 8.55 3.57 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 0.86 0.00 0.00 1.00 0.00 0.00 67 R 7.82 3.92 0.00 1.89 2.03 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 68 E 8.19 3.91 0.00 1.98 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 2.31 2.33 0.00 69 I 7.72 3.77 2.01 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 1.52 0.76 0.91 0.00 0.00 70 D 8.34 4.35 0.00 2.66 2.75 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 71 E 8.13 4.26 0.00 1.98 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 0.00 2.33 2.61 0.00 72 N 7.99 5.05 0.00 2.66 2.69 0.00 0.00 6.87 6.97 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 73 V 7.89 3.23 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 0.00 0.00 0.47 0.00 0.00 0.28 0.00 0.00 74 T 7.60 3.89 4.26 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 1.18 0.00 0.00 75 L 7.19 4.10 0.00 1.74 1.76 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.60 4.41 0.00 1.86 1.65 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.14 4.00 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 78 A 7.74 4.45 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 79 D 8.27 4.54 0.00 2.77 2.60 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 80 D 7.57 4.23 0.00 3.02 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 81 V 8.29 4.55 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 0.36 0.00 0.00 0.94 0.00 0.00 82 A 8.20 4.18 1.13 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 0.00 0.00 83 E 8.98 3.83 0.00 1.99 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 2.24 1.94 0.00 *89 F 7.77 4.62 0.00 3.01 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 90 R 8.74 5.11 0.00 1.84 1.82 0.00 3.22 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 91 V 8.52 4.49 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 0.74 0.00 0.00 0.96 0.00 0.00 92 D 8.73 4.75 0.00 2.73 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 93 V 8.47 3.59 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 0.86 0.00 0.00 0.99 0.00 0.00 94 R 7.72 3.78 0.00 2.05 2.02 0.00 3.22 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 95 D 8.21 4.57 0.00 2.77 2.72 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 96 V 8.04 3.93 2.17 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 0.80 0.00 0.00 0.94 0.00 0.00 97 V 7.26 3.62 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 0.83 0.00 0.00 0.97 0.00 0.00 98 E 8.58 4.22 0.00 2.06 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 2.38 2.31 0.00 99 E 9.01 4.30 0.00 2.17 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 2.26 2.23 0.00 100 A 7.52 4.42 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 0.00 101 D 7.90 4.76 0.00 2.67 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 0.00 102 D 7.97 4.47 0.00 2.80 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 0.00 103 A 7.67 4.82 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 0.00 104 D 8.57 4.38 0.00 2.54 2.47 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 0.00 0.00 0.00 0.00 105 Y 6.32 4.74 0.00 3.17 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 0.00 106 V 8.58 4.79 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 0.90 0.00 0.00 0.94 0.00 0.00 107 K 9.50 4.71 0.00 2.00 1.66 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.51 7.81 108 V 8.38 4.57 1.75 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 1.00 0.00 0.00 0.76 0.00 0.00 109 L 9.44 4.56 0.00 1.74 1.57 0.92 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.18 4.53 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 0.00 111 A 8.16 4.62 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 0.00 112 G 8.94 3.92 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 0.00 0.00 0.00 113 Q 8.13 4.46 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 114 V 7.89 4.32 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 0.96 0.00 0.00 0.95 0.00 0.00 115 R 8.70 4.46 0.00 1.61 1.80 0.00 3.11 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 116 H 7.71 5.24 0.00 3.00 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.85 4.86 0.00 2.03 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 2.32 2.29 0.00 118 L 8.62 5.11 0.00 1.63 1.62 0.95 0.74 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 0.00 119 T 8.98 4.99 4.29 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 1.23 0.00 0.00 120 L 8.71 5.17 0.00 1.82 1.88 1.08 0.59 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 0.00 121 I 8.60 5.58 1.94 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 1.18 0.54 0.98 0.00 0.00 122 A 8.62 4.80 0.66 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 0.00 123 D 8.62 4.43 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 7.07 4.57 0.00 2.45 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 9.09 5.52 0.00 2.85 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 0.00 126 S 8.59 4.81 0.00 3.92 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 0.00 127 E 9.20 4.03 0.00 2.05 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 0.00 2.42 2.43 0.00 128 G 8.29 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 7.77 4.06 1.51 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 0.00 130 R 8.05 3.76 0.00 2.02 1.93 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.64 0.00 131 E 8.35 3.94 0.00 2.00 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 2.52 0.00 132 K 7.96 3.92 0.00 2.02 1.87 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.71 7.81 133 V 7.98 3.64 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 1.09 0.00 0.00 1.04 0.00 0.00 134 E 7.96 4.81 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 135 G 8.48 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.82 4.60 1.43 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 0.00 137 G 8.35 4.10 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 0.00 0.00 0.00 138 G 7.88 4.94 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 0.00 139 S 8.92 5.09 0.00 3.80 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.15 4.52 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 -0.84 0.00 0.00 0.44 0.00 0.00 141 E 9.34 4.58 0.00 1.94 1.87 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 2.23 2.21 0.00 142 L 8.44 5.01 0.00 1.67 1.61 1.25 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.73 4.15 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 144 D 8.74 4.34 0.00 2.71 2.72 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 0.00 145 L 8.05 3.96 0.00 1.68 1.80 0.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.55 3.70 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 0.00 147 E 7.88 4.34 0.00 2.11 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 0.00 2.35 2.46 0.00 148 E 7.37 4.80 0.00 2.04 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 2.21 2.52 0.00 149 R 7.42 4.56 0.00 1.74 1.82 0.00 3.31 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 150 Q 7.86 4.30 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.