NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6467 8.3649 120.2906 52.9671 41.8983 176.0001 6 F 4.7089 7.8603 126.8040 57.4583 38.4570 171.0495 7 E 4.2193 9.9531 127.2232 54.8737 31.7225 174.8094 8 E 4.2207 10.5943 116.5588 57.7634 30.7724 174.0909 9 K 4.5109 8.1412 126.7068 54.4301 33.3543 172.8309 10 M 3.6933 8.5205 122.7357 56.2427 32.1447 175.2358 11 I 4.1124 9.3437 128.6652 63.1794 37.5562 175.7423 12 L 4.9996 7.7701 122.6306 53.5619 45.7434 174.4718 13 I 5.7409 8.4174 122.2643 60.2752 41.5852 174.1156 14 R 4.5224 8.2113 119.5160 55.2307 32.5512 173.6624 15 R 4.4966 7.7765 115.1077 54.1622 28.4300 177.4141 16 T 4.1570 7.6704 115.6325 62.6198 66.4651 173.4446 17 A 4.5213 8.0291 128.0321 50.8876 19.7276 177.5047 18 R 4.6846 8.3486 117.6214 55.8807 32.7180 174.4417 19 M 5.1402 8.2471 117.4195 53.8553 36.8956 174.4026 20 Q 4.4950 8.5080 119.8337 55.3891 32.7157 172.3797 21 A 4.0171 8.7391 126.4748 54.6197 18.3886 176.8310 22 G 4.1275 9.1986 112.1502 44.6203 0.0000 174.4118 23 G 3.7794 7.7289 107.0211 45.4225 0.0000 170.5603 24 R 4.7225 8.0787 117.2779 54.3571 31.3342 175.4209 25 R 4.7375 7.7551 120.7880 54.4905 32.4767 175.2219 26 F 4.7190 9.4962 122.9645 56.7476 39.9870 175.0780 27 R 4.9711 8.0926 120.7681 54.6649 34.2754 173.7791 28 F 5.1811 9.0070 120.4559 55.6601 42.7683 174.4445 29 G 4.4272 8.6259 109.8070 44.6513 0.0000 172.0773 30 A 5.3082 8.7981 122.1425 50.1923 23.3469 175.3262 31 L 5.1130 9.4535 123.3498 53.3299 44.1410 174.7883 32 V 4.6012 8.3304 125.9896 60.8202 34.4977 174.5900 33 V 4.3334 8.2773 127.1024 61.7127 32.8279 174.8530 34 V 4.1998 8.8307 130.8375 61.7320 32.5701 174.7884 35 G 5.1351 8.6333 114.8471 43.1492 0.0000 170.9555 36 D 4.9694 8.4560 115.3017 51.8732 40.9678 175.8468 37 R 4.0431 8.2530 117.5572 57.5518 27.4860 176.9686 38 Q 4.6043 10.0651 115.1317 54.7118 30.3345 175.6663 39 G 3.8593 7.8374 106.3782 44.9909 0.0000 173.4441 40 R 5.6632 8.0313 119.3894 53.7009 33.4853 174.8932 41 V 4.4533 8.2288 121.0102 62.3471 35.4938 172.2071 42 G 4.8295 8.8383 109.7851 44.7161 0.0000 171.8552 43 L 5.0478 8.5021 125.1599 53.1391 43.5560 175.3267 44 G 4.1662 8.5045 114.2685 44.5295 0.0000 171.1347 45 F 5.2662 8.9385 126.2614 56.3805 40.9839 174.1218 46 G 4.2132 8.5529 113.7808 44.2969 0.0000 171.3174 47 K 5.2055 8.5300 120.9123 54.5118 34.9854 175.3982 48 A 4.8997 9.2438 126.9838 49.1174 22.4685 175.1086 49 P 4.4313 0.0000 0.0000 64.4363 32.1611 176.2293 50 E 3.6325 8.7406 117.6607 53.9016 32.8809 175.8632 51 V 3.2703 6.8551 124.8663 65.7040 31.7195 176.0786 52 P 4.1162 0.0000 0.0000 65.9369 31.2151 178.2156 53 L 3.8833 7.8016 116.0808 58.5667 41.4546 179.0624 54 A 4.1487 8.2386 119.9337 55.4736 18.4555 179.4460 55 V 3.5407 8.5278 115.6308 66.2719 31.6897 178.4786 56 Q 3.8926 8.7441 119.3683 59.0492 28.9952 178.0190 57 K 3.8627 8.7553 121.4203 59.2839 32.2580 178.2528 58 A 4.3422 9.7645 121.0908 55.3635 18.2914 179.5501 59 G 3.6767 8.0306 103.4086 48.4506 0.0000 174.7529 60 Y 4.3505 7.7488 122.1534 60.8600 38.5302 178.1179 61 Y 3.8880 7.5796 115.8433 60.8914 38.2743 178.3186 62 A 4.1326 8.1181 121.6565 55.1743 18.2559 179.7070 63 R 3.5660 8.0357 115.6214 59.5811 30.3276 178.8991 64 R 4.0743 7.5209 116.9888 57.8323 30.1725 175.1445 65 N 4.8363 8.0746 116.3331 52.0932 41.6017 173.0583 66 M 5.2967 8.5003 124.6311 53.7901 36.5879 175.0910 67 V 4.5383 9.0149 118.3725 60.4544 35.2973 174.0945 68 E 4.6430 8.7859 122.0344 55.6118 29.7448 175.9313 69 V 3.9653 9.2225 128.0921 60.5210 31.8979 176.2891 70 P 4.5166 0.0000 0.0000 61.4326 30.3575 177.0226 71 L 3.9417 7.8607 116.9879 55.8325 42.0132 178.9268 72 Q 4.1632 9.1868 126.7918 54.7524 27.2604 170.9809 73 N 3.8752 8.1102 121.7526 52.9677 37.1479 174.5494 74 G 4.1247 8.7160 107.8398 45.5359 0.0000 171.2380 75 T 4.8545 8.3087 114.8686 60.3091 70.7893 172.6230 76 I 4.2527 7.9806 124.3232 59.6836 38.3249 173.4239 77 P 4.3910 0.0000 0.0000 64.7096 31.7451 176.0293 78 H 5.0446 7.8027 114.3358 52.3371 31.9100 172.0939 79 E 4.6866 8.5028 118.0502 55.2362 31.0179 175.3519 80 I 4.6181 7.8806 115.2566 59.3925 41.6130 174.2759 81 E 5.0781 8.5589 121.5911 54.7271 30.8120 175.3583 82 V 4.0720 8.3740 124.4546 62.1030 33.8267 174.7379 83 E 5.3434 8.3897 122.8797 53.5968 30.4453 173.1830 84 F 4.4261 8.5384 124.4684 57.9781 41.6674 175.1376 85 G 3.4294 7.4293 117.1048 46.8697 0.0000 176.0382 86 A 4.4938 8.5642 127.4264 52.0095 20.4798 177.6930 87 S 4.6109 7.6279 113.2452 57.7546 64.1550 173.5105 88 K 4.8664 9.0430 124.8871 54.6557 35.7162 174.6420 89 I 5.6394 8.6704 125.9908 58.4615 41.6754 173.8357 90 V 4.6062 8.4745 122.1505 59.7425 33.7844 174.5112 91 L 5.0762 8.6961 125.2928 52.9287 44.5453 175.6524 92 K 4.7168 9.4290 124.3330 53.6528 35.0121 173.4165 93 P 4.6537 0.0000 0.0000 63.7285 31.3049 175.3443 94 A 4.8895 8.2922 123.0491 49.7803 22.1865 176.4214 95 A 4.1983 8.3460 122.1044 51.0970 19.3903 175.3519 96 P 4.1916 0.0000 0.0000 63.9764 32.0580 177.3296 97 G 3.9797 8.6472 112.7354 46.9134 0.0000 173.0503 98 T 4.0944 8.5756 111.9950 61.8912 68.9040 175.7521 99 G 3.8690 8.3530 107.3205 45.2143 0.0000 172.7447 100 V 3.9340 8.0399 121.9682 62.6425 31.3755 175.2853 101 I 4.3399 8.9066 123.1955 59.5888 38.0330 174.4184 102 A 5.1277 7.4116 129.4129 51.1132 22.6766 174.8682 103 G 3.7755 8.5528 107.1371 45.1160 0.0000 174.1771 104 A 4.4191 8.4238 119.1257 52.7088 18.2627 177.3547 105 V 4.2613 7.7182 116.1200 64.0979 33.5076 175.9346 106 P 4.2860 0.0000 0.0000 65.9523 30.4671 178.3109 107 R 4.1224 7.9813 114.8981 59.2101 29.3954 178.4330 108 A 3.6386 8.0147 120.8162 54.1078 17.9078 178.8318 109 I 4.0605 7.3403 117.4999 63.8428 37.8300 178.0461 110 L 4.0125 8.6496 120.8215 57.9615 41.3076 179.7148 111 E 4.0468 9.2775 119.4168 59.3555 29.7730 178.9334 112 L 4.2104 7.7957 115.9864 56.1670 42.1777 179.1465 113 A 3.8729 7.8132 123.0139 56.5266 18.5070 178.7795 114 G 4.0001 7.6337 102.2457 44.4697 0.0000 174.2232 115 V 4.1366 7.3479 120.1603 62.6435 32.3353 174.8348 116 T 4.5452 9.6549 117.6785 64.7413 70.7236 173.8747 117 D 5.1583 7.5780 118.7676 52.4156 44.4460 174.9646 118 I 4.0525 7.9843 118.7336 60.6026 42.5058 172.3515 119 L 5.0795 8.2555 129.0812 53.4634 43.5545 175.7186 120 T 5.2562 8.5310 112.5884 60.0827 73.1460 172.8617 121 K 4.7186 8.7237 123.4789 55.1614 35.7103 174.7978 122 E 4.8841 8.8847 127.2334 55.9275 30.7368 175.6797 123 L 4.6745 9.1799 123.3794 53.3836 46.4544 177.3342 124 G 3.8183 8.7387 107.5268 45.8608 0.0000 173.3447 125 S 4.1495 8.5261 115.0324 59.0974 62.8106 175.5426 126 R 4.4364 8.2699 125.8770 56.0206 30.7450 176.3729 127 N 4.4624 7.7477 116.7435 53.6447 40.1927 171.8400 128 P 4.2333 0.0000 0.0000 65.7559 31.3366 178.7037 129 I 3.5481 7.5758 116.7309 64.8082 37.5411 177.2938 130 N 4.3187 8.2178 115.6656 57.0709 38.4381 177.2626 131 I 3.7541 8.0538 119.7346 65.2610 37.4468 177.4264 132 A 3.9227 8.6498 121.0894 55.4190 18.0080 178.8204 133 Y 3.7092 8.4813 112.5731 61.0454 38.0170 179.1425 134 A 4.1120 8.3260 120.0164 55.6940 18.6113 179.6897 135 T 4.0331 8.1193 114.1792 67.0691 68.6524 176.6524 136 M 3.8998 7.9908 119.8950 58.8893 31.8283 178.4393 137 E 4.0224 8.1444 116.8896 58.3398 29.8971 179.1194 138 A 4.1348 8.3057 122.2723 54.9541 18.6005 179.1726 139 L 3.9086 7.8753 116.5939 58.1423 41.6519 179.5845 140 R 4.0052 7.9073 115.6735 58.0211 30.1734 176.3848 141 Q 4.6148 7.7062 114.5244 56.1522 29.8926 175.5510 142 L 4.3810 8.6296 120.1621 54.5082 42.2921 176.4005 143 R 4.7965 8.4663 120.2768 54.0970 34.0904 175.2250 144 T 4.6496 8.4346 109.4334 59.4067 72.1570 174.9958 145 K 3.9223 8.6236 124.6918 59.0110 32.8002 177.8272 146 A 3.7317 8.6341 116.2527 55.7098 17.7984 178.1750 147 D 4.3606 6.0500 123.7230 55.1909 39.9486 179.4060 148 V 3.5314 8.1110 120.2140 66.2090 31.6229 177.8978 149 E 4.0700 8.3312 117.8312 58.8937 29.0229 179.1342 150 R 3.9565 7.5040 117.9862 58.7798 30.1478 177.6259 151 L 4.3258 7.6436 116.8739 55.0910 43.2822 177.2565 152 R 4.6487 7.4908 119.1837 54.7259 30.7131 175.2174 153 K 3.8414 8.3663 120.9074 57.1536 30.8955 178.6050 154 G 4.4226 9.4312 127.0700 47.8321 0.0000 173.3887 *155 E 4.1319 7.7223 122.1151 55.9139 30.4399 179.8322 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 D 8.36 4.65 0.00 2.67 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 6 F 7.86 4.71 0.00 3.14 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 7 E 9.95 4.22 0.00 1.95 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 2.23 2.27 0.00 8 E 10.59 4.22 0.00 2.10 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 2.16 2.22 0.00 9 K 8.14 4.51 0.00 1.76 1.66 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.70 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.45 7.81 10 M 8.52 3.69 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.65 0.00 11 I 9.34 4.11 2.02 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 1.13 0.80 0.94 0.00 0.00 12 L 7.77 5.00 0.00 1.71 1.55 1.02 0.95 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 13 I 8.42 5.74 1.93 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 1.23 0.67 1.02 0.00 0.00 14 R 8.21 4.52 0.00 1.87 2.07 0.00 2.95 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 15 R 7.78 4.50 0.00 1.68 1.81 0.00 2.74 0.00 0.00 3.27 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.50 0.00 16 T 7.67 4.16 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 17 A 8.03 4.52 0.37 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 R 8.35 4.68 0.00 1.81 1.93 0.00 2.70 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 19 M 8.25 5.14 0.00 1.81 1.91 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 20 Q 8.51 4.49 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.09 2.23 0.00 21 A 8.74 4.02 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 22 G 9.20 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.73 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.08 4.72 0.00 1.33 1.70 0.00 3.00 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 25 R 7.76 4.74 0.00 1.76 1.91 0.00 3.13 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 26 F 9.50 4.72 0.00 2.70 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 27 R 8.09 4.97 0.00 1.77 1.83 0.00 3.05 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 28 F 9.01 5.18 0.00 3.19 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 29 G 8.63 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.80 5.31 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 31 L 9.45 5.11 0.00 1.80 1.72 0.97 1.04 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 32 V 8.33 4.60 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 0.90 0.00 0.00 0.95 0.00 0.00 33 V 8.28 4.33 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 0.93 0.00 0.00 0.93 0.00 0.00 34 V 8.83 4.20 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 0.42 0.00 0.00 0.85 0.00 0.00 35 G 8.63 5.14 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 36 D 8.46 4.97 0.00 2.80 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 37 R 8.25 4.04 0.00 2.08 2.06 0.00 3.08 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 1.78 1.66 0.00 38 Q 10.07 4.60 0.00 2.35 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.45 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 39 G 7.84 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 40 R 8.03 5.66 0.00 2.01 1.90 0.00 3.50 0.00 0.00 3.48 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 41 V 8.23 4.45 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 0.84 0.00 0.00 0.95 0.00 0.00 42 G 8.84 4.83 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 43 L 8.50 5.05 0.00 1.46 1.33 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.50 4.17 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 0.00 0.00 0.00 45 F 8.94 5.27 0.00 3.00 2.98 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 46 G 8.55 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 0.00 0.00 0.00 0.00 47 K 8.53 5.21 0.00 1.58 1.68 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.93 1.15 7.81 48 A 9.24 4.90 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.43 0.00 2.08 2.23 0.00 3.76 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 2.08 2.18 0.00 50 E 8.74 3.63 0.00 1.76 1.56 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 1.99 2.02 0.00 51 V 6.86 3.27 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 0.86 0.00 0.00 0.71 0.00 0.00 52 P 0.00 4.12 0.00 2.12 2.02 0.00 3.49 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 53 L 7.80 3.88 0.00 1.89 1.73 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.24 4.15 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.53 3.54 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 0.99 0.00 0.00 0.96 0.00 0.00 56 Q 8.74 3.89 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 57 K 8.76 3.86 0.00 2.00 2.00 0.00 1.80 0.00 0.00 1.85 0.00 0.00 3.42 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.72 1.48 7.81 58 A 9.76 4.34 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.03 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.75 4.35 0.00 2.94 2.98 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 61 Y 7.58 3.89 0.00 3.21 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 62 A 8.12 4.13 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 63 R 8.04 3.57 0.00 1.85 2.01 0.00 3.35 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.86 0.00 64 R 7.52 4.07 0.00 1.63 2.04 0.00 2.63 0.00 0.00 2.96 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 65 N 8.07 4.84 0.00 2.78 2.68 0.00 0.00 6.81 6.98 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 66 M 8.50 5.30 0.00 1.84 1.89 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.19 0.00 67 V 9.01 4.54 2.04 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 0.68 0.00 0.00 0.91 0.00 0.00 68 E 8.79 4.64 0.00 1.98 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 2.25 2.36 0.00 69 V 9.22 3.97 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 0.80 0.00 0.00 0.93 0.00 0.00 70 P 0.00 4.52 0.00 2.10 2.08 0.00 3.79 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.31 0.00 71 L 7.86 3.94 0.00 1.64 1.68 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 9.19 4.16 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.12 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 73 N 8.11 3.88 0.00 3.03 3.06 0.00 0.00 6.23 7.30 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 74 G 8.72 4.12 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 0.00 0.00 0.00 75 T 8.31 4.85 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 1.44 0.00 0.00 76 I 7.98 4.25 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.93 0.99 0.00 0.00 77 P 0.00 4.39 0.00 2.28 2.13 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 78 H 7.80 5.04 0.00 3.24 3.26 0.00 5.51 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.50 4.69 0.00 1.97 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 0.00 2.22 2.36 0.00 80 I 7.88 4.62 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 1.16 0.76 0.81 0.00 0.00 81 E 8.56 5.08 0.00 1.81 1.89 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 2.20 2.27 0.00 82 V 8.37 4.07 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 1.05 0.00 0.00 1.02 0.00 0.00 83 E 8.39 5.34 0.00 1.93 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 2.21 2.25 0.00 84 F 8.54 4.43 0.00 3.14 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 85 G 7.43 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.56 4.49 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 87 S 7.63 4.61 0.00 3.98 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 88 K 9.04 4.87 0.00 1.80 1.59 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.50 7.81 89 I 8.67 5.64 1.89 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 1.25 1.19 0.94 0.00 0.00 90 V 8.47 4.61 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 0.69 0.00 0.00 0.93 0.00 0.00 91 L 8.70 5.08 0.00 1.53 1.54 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.43 4.72 0.00 1.73 1.62 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.35 7.81 93 P 0.00 4.65 0.00 2.11 2.16 0.00 3.75 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 2.00 2.02 0.00 94 A 8.29 4.89 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 95 A 8.35 4.20 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 96 P 0.00 4.19 0.00 2.05 2.01 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 97 G 8.65 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 98 T 8.58 4.09 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 99 G 8.35 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 0.00 100 V 8.04 3.93 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 0.83 0.00 0.00 0.96 0.00 0.00 101 I 8.91 4.34 1.87 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 1.25 0.87 0.91 0.00 0.00 102 A 7.41 5.13 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.55 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.42 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 0.00 105 V 7.72 4.26 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 1.03 0.00 0.00 0.96 0.00 0.00 106 P 0.00 4.29 0.00 2.30 2.32 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.05 0.00 107 R 7.98 4.12 0.00 2.06 2.46 0.00 3.01 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 108 A 8.01 3.64 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 0.00 109 I 7.34 4.06 2.03 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 1.49 1.02 0.88 0.00 0.00 110 L 8.65 4.01 0.00 1.79 1.74 0.92 0.93 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 0.00 111 E 9.28 4.05 0.00 1.85 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 112 L 7.80 4.21 0.00 1.70 1.72 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.81 3.87 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 0.00 114 G 7.63 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 0.00 115 V 7.35 4.14 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 0.96 0.00 0.00 116 T 9.65 4.55 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 1.21 0.00 0.00 117 D 7.58 5.16 0.00 2.51 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 0.00 118 I 7.98 4.05 1.87 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 1.23 1.25 0.91 0.00 0.00 119 L 8.26 5.08 0.00 1.73 1.56 0.92 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.53 5.26 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 0.00 121 K 8.72 4.72 0.00 1.87 1.64 0.00 1.51 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.46 7.81 122 E 8.88 4.88 0.00 1.90 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 2.30 2.35 0.00 123 L 9.18 4.67 0.00 1.50 1.51 0.92 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.74 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 0.00 125 S 8.53 4.15 0.00 3.85 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 0.00 126 R 8.27 4.44 0.00 1.83 1.92 0.00 3.27 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 127 N 7.75 4.46 0.00 2.78 2.71 0.00 0.00 7.24 7.59 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 0.00 128 P 0.00 4.23 0.00 2.25 2.02 0.00 3.72 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 2.16 2.22 0.00 129 I 7.58 3.55 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.77 0.71 0.00 0.00 130 N 8.22 4.32 0.00 3.10 3.02 0.00 0.00 7.15 7.20 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 0.00 131 I 8.05 3.75 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.91 0.94 0.00 0.00 132 A 8.65 3.92 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 0.00 133 Y 8.48 3.71 0.00 2.30 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 0.00 134 A 8.33 4.11 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.12 4.03 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 1.19 0.00 0.00 136 M 7.99 3.90 0.00 1.88 2.04 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 2.47 2.56 0.00 137 E 8.14 4.02 0.00 2.12 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 2.33 2.52 0.00 138 A 8.31 4.13 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 0.00 139 L 7.88 3.91 0.00 1.82 1.74 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.91 4.01 0.00 1.90 1.96 0.00 3.19 0.00 0.00 3.21 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 141 Q 7.71 4.61 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.68 0.00 142 L 8.63 4.38 0.00 1.61 1.64 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.47 4.80 0.00 1.66 1.76 0.00 3.31 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.50 0.00 144 T 8.43 4.65 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 0.00 145 K 8.62 3.92 0.00 1.76 1.90 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.50 7.81 146 A 8.63 3.73 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 0.00 147 D 6.05 4.36 0.00 2.96 2.97 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 0.00 148 V 8.11 3.53 2.32 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 1.00 0.00 0.00 0.92 0.00 0.00 149 E 8.33 4.07 0.00 2.15 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 2.64 2.45 0.00 150 R 7.50 3.96 0.00 1.76 2.16 0.00 3.25 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 151 L 7.64 4.33 0.00 1.81 1.70 0.92 0.90 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 0.00 152 R 7.49 4.65 0.00 1.78 1.87 0.00 3.34 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 153 K 8.37 3.84 0.00 1.74 1.57 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.38 7.81 154 G 9.43 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 0.00 0.00 0.00 0.00 *155 E 7.72 4.13 0.00 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.