NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5400 8.1927 115.3586 57.5994 64.7517 173.9801 2 L 3.9712 8.7110 123.3649 58.0463 41.7858 174.4190 3 V 3.7083 8.6575 118.9803 65.9393 31.8689 177.2801 4 Q 4.2041 7.6197 117.7627 58.2925 28.7149 177.7617 5 F 4.5180 8.8142 122.2605 61.6872 39.4575 176.8176 6 E 3.8310 8.3272 117.8485 59.8480 29.3456 179.6606 7 T 3.8337 7.8026 114.8480 66.6027 68.5567 176.2803 8 L 3.8176 8.1816 121.2830 58.1095 41.6300 179.6641 9 I 3.6438 7.6594 119.0910 64.7024 37.1112 177.9823 10 M 4.3401 7.8765 120.0839 58.0512 31.8017 178.2661 11 K 3.9305 7.9710 118.3594 59.1673 32.4631 178.2266 12 I 4.0520 8.0911 118.4387 63.3069 37.7989 176.9925 13 A 4.1259 8.5299 121.8478 52.8045 19.0102 178.1672 14 G 4.1930 7.8127 103.1519 46.1765 0.0000 173.1053 *16 R 4.3014 7.6655 116.2272 55.2295 31.3352 174.9650 17 S 4.5061 8.6160 113.7371 58.1989 63.0279 174.9639 18 G 3.6912 8.7506 116.8441 47.9263 0.0000 174.4759 19 L 4.1474 7.9446 122.7330 56.7755 42.1833 178.0549 20 L 4.4578 7.7120 114.9798 54.5880 42.3323 176.8416 21 W 3.8123 8.2602 117.0682 56.2888 31.3031 175.6366 22 Y 5.0166 8.3493 112.7512 57.3766 39.0761 176.4150 23 S 4.5544 8.6786 115.4344 60.0806 64.0404 174.3184 24 A 4.4628 7.7817 124.6145 51.8297 19.3184 174.1758 25 Y 5.0510 8.3556 121.0063 58.0578 40.9645 176.8023 26 G 4.0324 8.7062 117.2053 45.3761 0.0000 172.1664 27 C 4.4862 9.3626 114.7162 59.2091 40.5133 174.1345 28 Y 4.5208 9.3489 115.0985 57.9625 37.9402 175.7038 29 C 4.9573 8.3960 118.3606 58.0833 42.0447 174.4850 30 G 4.1215 7.5253 104.5319 44.5381 0.0000 174.5050 31 W 4.2404 9.5145 133.6866 58.6225 30.4903 176.8276 32 G 3.7574 8.7123 105.7115 45.3703 0.0000 173.2981 33 G 4.0625 9.4343 106.5479 45.8830 0.0000 173.2358 34 H 4.8668 7.2788 115.1526 55.0608 32.9187 174.7934 35 G 3.8822 9.2078 111.2501 44.8703 0.0000 171.8924 36 L 4.7519 10.8200 118.4453 51.9211 43.6690 174.9426 37 P 4.5681 0.0000 0.0000 63.1870 31.7586 176.5036 38 Q 3.9987 8.9466 122.2451 57.9171 29.5617 175.1742 39 D 4.4408 7.2839 114.6965 51.6328 41.1594 174.3321 40 A 4.0014 8.6375 119.6533 56.1687 18.4693 179.4936 41 T 4.2018 8.0557 112.6379 67.0356 68.7166 175.9321 42 D 4.7024 9.0785 120.0088 57.7954 41.1140 178.4749 43 R 3.9890 8.0611 118.4732 59.5257 30.0472 177.7162 44 C 4.2348 8.1717 116.5750 60.2987 36.5283 175.2893 45 C 4.3452 8.4224 117.0210 59.0477 36.5690 175.9203 46 F 3.9364 7.9607 122.4711 61.4229 39.1425 177.5147 47 V 3.3759 8.1930 112.3817 64.1704 31.3516 177.8133 48 H 3.7526 8.1107 118.2770 59.5927 29.1660 176.7205 49 D 4.1911 7.6255 119.3527 57.3212 40.7975 177.4622 50 C 4.2514 7.2934 116.3480 59.5530 40.7970 174.8791 51 C 4.2869 8.1394 120.5129 59.9753 38.0889 175.1629 52 Y 4.1489 8.0360 118.2858 61.0981 37.2035 179.1037 53 G 3.6586 7.6467 104.3874 47.0202 0.0000 175.3460 54 K 4.4226 7.8648 118.8242 56.8384 32.6142 177.0786 55 A 4.2960 7.3596 122.7518 51.3355 17.6508 177.0342 56 T 4.0532 8.1020 111.8941 64.1385 69.9942 176.6461 *59 D 4.9490 8.1846 121.0917 54.3263 42.5300 173.4614 *61 C 5.0753 7.6088 113.8710 55.2350 38.0188 171.8564 *67 N 5.2646 8.1325 115.6658 52.8949 38.8749 172.6700 68 P 3.9096 0.0000 0.0000 65.3780 31.6005 177.6959 69 K 4.1973 7.9164 117.9248 58.0980 32.3417 177.9842 70 T 4.3951 7.7085 106.3218 61.1728 70.6802 174.8626 71 V 3.5877 8.1492 122.6081 61.7803 31.7305 175.2526 72 S 4.5589 8.4912 117.8311 56.7857 63.3316 172.2013 73 Y 5.2384 8.0209 126.6080 55.4081 41.0930 174.4219 74 T 4.9095 8.5209 108.2953 60.4185 72.1761 172.5684 75 Y 5.3885 7.6368 119.1794 55.9284 41.5390 174.1959 76 S 4.8032 9.4334 115.6022 56.8979 67.8424 172.7318 77 E 4.7010 8.8703 124.0525 54.7845 30.0997 176.3627 78 E 4.5886 8.8166 127.9876 55.0205 30.3170 175.3120 79 N 4.0669 8.4613 116.8614 54.0033 35.2992 175.2764 80 G 4.0282 8.8092 106.1510 44.7273 0.0000 172.5385 81 E 4.7013 7.9289 119.8505 54.4831 32.5862 174.4666 82 I 4.8969 8.2629 125.5374 59.9382 39.1752 174.8453 83 I 4.4866 9.0627 129.2309 59.6631 39.1841 174.8954 84 C 4.7574 8.8934 124.5459 57.3218 37.2256 173.0053 85 G 3.9965 7.9142 107.7346 46.3511 0.0000 171.6975 86 G 4.0942 8.3696 106.5863 46.8616 0.0000 173.5922 *88 D 4.6887 8.9232 117.9057 54.0964 42.9152 175.7974 89 D 4.6415 7.4646 117.1061 50.5011 43.2073 174.2306 90 P 4.2167 0.0000 0.0000 66.1390 31.4163 179.5517 91 C 4.4278 8.2446 116.6576 59.4135 37.7718 175.6554 92 G 3.6164 8.1023 107.8110 47.9037 0.0000 176.0135 93 T 3.9507 7.8505 117.5964 66.5484 68.0993 176.1389 94 Q 3.8521 7.9333 121.2637 59.7822 29.0521 178.9686 95 I 3.7667 7.6920 119.5603 64.6093 37.2276 177.3360 96 C 2.9648 7.5208 118.6715 59.6670 40.0825 175.6501 97 E 3.7686 7.7696 119.4964 59.4077 29.1029 178.6423 98 C 4.1158 7.7409 115.2735 60.3701 34.5836 176.1067 99 D 3.8438 7.8471 119.7523 56.8051 40.3517 178.8946 100 K 3.8769 8.2126 120.2801 59.3273 32.1908 178.8216 101 A 3.8562 7.8679 120.8547 55.0209 18.2498 179.4050 102 A 3.4856 7.6592 118.6501 55.2042 18.4201 179.8075 103 A 3.8325 7.6742 118.8147 55.0424 18.3868 180.0586 104 I 3.5607 7.5503 118.3775 64.7092 37.0208 177.7560 105 C 4.2158 8.0838 118.2896 59.5680 42.4188 175.3777 106 F 4.5241 8.0987 119.7022 60.8493 38.2938 177.3966 107 R 3.9058 8.1357 117.2121 59.6671 29.9698 177.0983 108 D 4.8797 7.7312 115.1438 54.2961 40.9983 176.5561 109 N 5.1322 7.9191 114.3340 53.0792 41.1200 176.4137 110 I 3.7839 7.9780 122.1856 64.0911 37.4134 176.5030 111 P 4.2640 0.0000 0.0000 65.4867 31.1853 177.0862 112 S 4.6451 7.7003 110.1410 58.1406 63.0700 173.2761 113 Y 4.1525 7.9481 123.3147 57.8369 38.9386 174.3846 114 D 4.9096 8.6577 126.7423 52.2734 43.1977 176.1619 115 N 4.5886 8.8208 124.2197 55.2186 38.7796 176.8020 116 K 3.9432 7.7057 118.7365 58.4227 32.4921 176.8531 117 Y 4.0963 7.5805 115.9175 57.1365 37.8041 174.7012 118 W 4.5797 7.6428 130.9167 56.9998 30.6070 175.8023 119 L 3.0383 7.7130 129.9795 55.6784 39.5268 175.4556 120 F 4.4246 7.9296 120.3427 57.1610 39.6318 172.5670 121 P 4.0182 0.0000 0.0000 62.4062 31.6322 175.5446 122 P 3.9407 0.0000 0.0000 65.4871 31.3173 177.9283 *124 K 4.1714 7.8697 113.9242 56.3246 33.9649 175.5333 125 D 4.8250 7.7272 117.7385 54.5534 40.5743 175.4839 126 C 5.1084 8.0113 115.9510 56.6672 41.7227 176.4375 127 R 3.9415 8.1821 121.4225 58.7910 30.1447 177.2868 128 E 3.9317 7.5030 117.4338 56.6899 30.0644 176.2653 129 E 4.4411 8.5805 123.4271 55.0810 30.5049 174.7341 130 P 4.6444 0.0000 0.0000 62.5817 32.3934 175.2101 131 E 4.5486 8.3651 119.7875 54.0435 31.0356 174.1807 132 P 4.5179 0.0000 0.0000 62.4568 32.1358 177.4072 133 C 4.4410 8.7411 117.3658 57.4977 41.0558 173.8250 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 S 8.19 4.54 0.00 4.10 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 2 L 8.71 3.97 0.00 1.83 1.84 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.66 3.71 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 1.05 0.00 0.00 0.97 0.00 0.00 4 Q 7.62 4.20 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.25 0.00 5 F 8.81 4.52 0.00 3.29 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 6 E 8.33 3.83 0.00 2.19 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 2.26 2.61 0.00 7 T 7.80 3.83 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 1.27 0.00 0.00 8 L 8.18 3.82 0.00 2.04 1.81 0.23 0.76 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 9 I 7.66 3.64 1.79 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.88 0.95 0.00 0.00 10 M 7.88 4.34 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 11 K 7.97 3.93 0.00 1.81 2.08 0.00 1.85 0.00 0.00 1.61 0.00 0.00 3.16 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.48 7.81 12 I 8.09 4.05 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.65 0.93 0.00 0.00 13 A 8.53 4.13 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 14 G 7.81 4.19 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 0.00 *16 R 7.67 4.30 0.00 1.76 1.73 0.00 2.93 0.00 0.00 2.74 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.21 0.00 17 S 8.62 4.51 0.00 4.00 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 18 G 8.75 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.94 4.15 0.00 1.71 1.79 1.01 1.11 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 20 L 7.71 4.46 0.00 1.59 1.45 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 21 W 8.26 3.81 0.00 2.40 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 0.00 0.00 0.00 22 Y 8.35 5.02 0.00 2.82 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 23 S 8.68 4.55 0.00 4.15 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 0.00 24 A 7.78 4.46 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.36 5.05 0.00 3.41 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 26 G 8.71 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.36 4.49 0.00 3.14 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 28 Y 9.35 4.52 0.00 3.35 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 29 C 8.40 4.96 0.00 3.41 3.60 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 30 G 7.53 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 31 W 9.51 4.24 0.00 3.38 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 32 G 8.71 3.76 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 0.00 0.00 0.00 33 G 9.43 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 34 H 7.28 4.87 0.00 3.02 3.35 0.00 5.75 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 35 G 9.21 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 0.00 0.00 0.00 36 L 10.82 4.75 0.00 2.09 1.59 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.57 0.00 1.87 1.88 0.00 3.43 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.33 0.00 38 Q 8.95 4.00 0.00 1.13 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.54 0.00 0.00 0.00 0.00 0.00 2.42 1.71 0.00 39 D 7.28 4.44 0.00 2.88 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.64 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.06 4.20 4.60 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 1.07 0.00 0.00 42 D 9.08 4.70 0.00 3.03 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 43 R 8.06 3.99 0.00 1.91 2.23 0.00 3.06 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 44 C 8.17 4.23 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.42 4.35 0.00 3.43 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.96 3.94 0.00 2.60 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 47 V 8.19 3.38 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 0.82 0.00 0.00 0.86 0.00 0.00 48 H 8.11 3.75 0.00 3.09 3.36 0.00 5.58 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.63 4.19 0.00 3.01 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 50 C 7.29 4.25 0.00 2.79 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 51 C 8.14 4.29 0.00 3.00 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 52 Y 8.04 4.15 0.00 3.12 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.65 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 54 K 7.86 4.42 0.00 1.73 1.85 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.57 7.81 55 A 7.36 4.30 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.10 4.05 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 1.19 0.00 0.00 *59 D 8.18 4.95 0.00 2.81 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 *61 C 7.61 5.08 0.00 3.10 3.35 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 *67 N 8.13 5.26 0.00 2.71 2.74 0.00 0.00 7.67 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 68 P 0.00 3.91 0.00 1.34 0.49 0.00 3.53 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 69 K 7.92 4.20 0.00 1.80 1.93 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.44 7.81 70 T 7.71 4.40 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 1.20 0.00 0.00 71 V 8.15 3.59 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 0.77 0.00 0.00 0.95 0.00 0.00 72 S 8.49 4.56 0.00 3.78 3.76 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 73 Y 8.02 5.24 0.00 3.09 3.15 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 74 T 8.52 4.91 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 1.22 0.00 0.00 75 Y 7.64 5.39 0.00 2.99 3.06 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 76 S 9.43 4.80 0.00 3.73 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 77 E 8.87 4.70 0.00 2.03 1.91 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 2.27 2.42 0.00 78 E 8.82 4.59 0.00 1.91 1.84 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 2.24 2.39 0.00 79 N 8.46 4.07 0.00 2.89 2.94 0.00 0.00 7.52 7.65 0.00 0.00 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 G 8.81 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 7.93 4.70 0.00 2.04 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 2.28 2.30 0.00 82 I 8.26 4.90 1.85 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 1.33 0.95 0.92 0.00 0.00 83 I 9.06 4.49 1.90 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 0.90 0.92 0.00 0.00 84 C 8.89 4.76 0.00 2.97 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 85 G 7.91 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 86 G 8.37 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 0.00 0.00 0.00 0.00 *88 D 8.92 4.69 0.00 2.72 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 89 D 7.46 4.64 0.00 2.86 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 90 P 0.00 4.22 0.00 2.09 2.14 0.00 3.86 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 2.11 2.03 0.00 91 C 8.24 4.43 0.00 2.97 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 92 G 8.10 3.62 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 0.00 0.00 0.00 93 T 7.85 3.95 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 1.18 0.00 0.00 94 Q 7.93 3.85 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 95 I 7.69 3.77 1.96 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 1.35 0.89 1.08 0.00 0.00 96 C 7.52 2.96 0.00 1.59 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 97 E 7.77 3.77 0.00 2.11 1.91 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 2.40 2.43 0.00 98 C 7.74 4.12 0.00 3.28 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 99 D 7.85 3.84 0.00 2.94 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 0.00 100 K 8.21 3.88 0.00 1.80 1.85 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.40 7.81 101 A 7.87 3.86 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.66 3.49 0.98 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 0.00 103 A 7.67 3.83 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.55 3.56 1.80 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 1.36 0.72 0.87 0.00 0.00 105 C 8.08 4.22 0.00 2.90 3.11 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 0.00 106 F 8.10 4.52 0.00 2.92 2.53 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 0.00 107 R 8.14 3.91 0.00 1.84 2.12 0.00 3.22 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 108 D 7.73 4.88 0.00 2.71 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 0.00 109 N 7.92 5.13 0.00 2.83 2.83 0.00 0.00 7.02 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 0.00 110 I 7.98 3.78 1.83 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.89 0.76 0.00 0.00 111 P 0.00 4.26 0.00 2.07 2.14 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 112 S 7.70 4.65 0.00 4.03 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.95 4.15 0.00 3.05 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 0.00 114 D 8.66 4.91 0.00 2.78 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.82 4.59 0.00 2.88 2.90 0.00 0.00 6.75 6.91 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 0.00 116 K 7.71 3.94 0.00 1.49 1.74 0.00 1.49 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 1.00 7.81 117 Y 7.58 4.10 0.00 1.86 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 0.00 0.00 0.00 118 W 7.64 4.58 0.00 3.37 3.15 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 0.00 119 L 7.71 3.04 0.00 1.28 1.56 0.51 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 120 F 7.93 4.42 0.00 3.07 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 0.00 121 P 0.00 4.02 0.00 1.84 1.79 0.00 3.35 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 122 P 0.00 3.94 0.00 2.00 1.94 0.00 3.46 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 *124 K 7.87 4.17 0.00 1.77 1.82 0.00 1.42 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.31 7.81 125 D 7.73 4.82 0.00 2.30 2.37 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 0.00 126 C 8.01 5.11 0.00 3.02 3.15 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 0.00 127 R 8.18 3.94 0.00 1.76 1.99 0.00 3.28 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 128 E 7.50 3.93 0.00 2.25 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 2.37 2.31 0.00 129 E 8.58 4.44 0.00 1.95 1.88 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 2.33 2.41 0.00 130 P 0.00 4.64 0.00 2.45 2.35 0.00 3.88 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.24 0.00 131 E 8.37 4.55 0.00 1.90 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 2.22 2.26 0.00 132 P 0.00 4.52 0.00 2.13 2.01 0.00 3.78 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 2.06 2.14 0.00 133 C 8.74 4.44 0.00 2.90 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.