NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2841 8.2649 123.5797 52.1537 19.9431 176.6324 2 C 4.6384 8.3563 117.1060 55.3401 41.5972 172.7324 3 D 4.2692 9.5156 125.6365 56.7829 42.2311 176.2625 4 Y 4.7692 7.8860 114.7318 56.5177 42.8996 174.3425 5 T 4.9286 8.7565 119.1800 62.2304 71.9609 173.8819 6 C 5.1101 9.3446 125.9319 55.7007 41.8692 175.8974 7 G 4.1356 8.3859 118.8307 46.7962 0.0000 172.7146 8 S 4.6380 8.9759 116.9526 57.5559 63.3428 173.1279 9 N 4.5531 8.2611 119.8568 52.5865 39.4386 172.9232 10 C 5.2173 8.0960 121.7389 54.9203 47.1341 172.4417 11 Y 5.4118 9.0029 123.3346 56.3377 41.7702 175.1007 12 S 5.1323 9.3758 117.5885 57.0165 65.6491 175.3022 13 S 4.3657 9.6806 117.4008 61.8888 62.4353 177.3861 14 S 4.1443 8.1021 116.4970 61.6274 62.7924 176.1845 15 D 4.4027 8.0410 122.6120 56.9016 40.4974 179.0061 16 V 3.4042 7.8102 118.6992 66.0745 31.5962 178.1531 17 S 4.1048 8.2496 115.0866 61.9597 62.5366 176.9892 18 T 3.8334 7.9118 117.9018 66.5717 68.2729 176.6635 19 A 4.2162 7.9782 122.6339 55.3290 18.4871 179.3691 20 Q 3.8354 8.5277 118.3143 59.1889 29.0788 178.3002 21 A 3.8164 7.9391 121.4913 55.1187 18.5036 179.5322 22 A 3.8680 7.7226 119.2162 55.2085 18.5071 180.1809 23 G 2.1374 7.2007 104.1599 47.4496 0.0000 175.3712 24 Y 3.2643 7.6101 122.3334 59.8715 38.6642 177.9297 25 K 3.9454 7.8164 120.6582 59.4191 32.2112 178.8193 26 L 3.8578 7.4029 118.8220 57.7260 41.5355 178.8048 27 H 3.8477 7.8201 118.1655 59.4103 29.5149 177.0788 28 E 3.7062 7.4653 118.8148 59.2797 29.3639 178.4373 29 D 4.5522 7.7435 116.1634 53.7460 41.2558 176.4866 30 G 3.8126 7.5890 107.0595 46.7122 0.0000 173.0703 31 E 4.9679 8.1777 119.0373 54.1812 32.7216 174.6365 32 T 5.1961 8.3674 112.1789 60.3459 72.4613 173.1103 33 V 4.5928 9.4372 114.8811 60.7032 36.4316 176.6137 34 G 4.6456 8.8868 106.3869 47.0014 0.0000 174.8672 35 S 4.1925 8.6681 115.4727 61.1445 62.9811 175.3038 36 N 4.7065 8.3328 114.9686 52.1231 38.5308 175.4408 37 S 3.7255 7.5146 111.9022 59.7202 60.4704 170.4485 38 Y 4.9740 8.7697 120.1095 55.3383 40.6334 173.7894 39 P 5.6225 0.0000 0.0000 63.5299 32.8261 174.6424 40 H 5.2234 8.8157 115.6340 53.8805 32.5553 172.6633 41 K 4.2875 8.9588 118.3990 57.0689 32.6113 175.7682 42 Y 4.8248 8.5508 125.2314 55.8932 40.7858 174.4852 43 N 4.7461 8.1265 123.6209 51.5363 41.4199 175.2066 44 N 4.3030 8.3135 124.3684 52.7692 38.0320 175.5044 45 Y 4.2308 6.9219 116.8913 59.5086 38.9840 177.2905 46 E 3.8255 7.1755 118.5239 56.5427 29.7528 176.5107 47 G 3.6612 7.3847 106.7607 46.2659 0.0000 174.2765 48 F 4.2927 7.3598 117.0997 57.1954 39.5484 176.0993 49 D 4.5611 8.2320 124.3101 53.3203 39.4216 174.5608 50 F 4.9522 7.7190 120.6959 56.1427 40.5028 176.0316 51 S 4.6963 8.8498 118.4915 58.1254 63.4070 174.0059 52 V 4.5634 7.6302 120.2102 59.9134 33.6005 175.5382 53 S 4.5208 8.4385 116.4869 57.5980 64.0416 173.8736 54 S 3.2090 7.8377 116.4656 56.2303 64.2012 171.8415 55 P 4.1158 0.0000 0.0000 63.0015 32.1641 175.4155 56 Y 5.2087 7.9098 118.6964 56.5129 42.0808 174.1317 57 Y 5.0667 8.9074 118.5587 56.1498 42.2165 174.2923 58 E 4.9964 9.2073 121.3626 54.5807 32.7422 174.6861 59 W 5.3450 8.6557 130.7969 55.2906 34.6542 172.2976 60 P 4.3233 0.0000 0.0000 62.2653 31.4819 175.3248 61 I 4.2719 7.6585 123.3877 59.1018 40.0853 174.7281 62 L 4.7618 8.2731 128.8327 52.7800 43.5558 177.7491 63 S 4.3500 8.7869 116.9450 61.3505 63.0856 175.9638 64 S 4.1449 8.0324 114.7007 59.6293 62.8864 175.2211 65 G 4.0544 8.2250 109.2109 45.1516 0.0000 173.5184 66 D 4.6161 7.4738 118.7570 53.7907 41.5886 176.1539 67 V 4.0641 8.0569 121.2757 62.0084 32.8123 175.3871 68 Y 4.1341 8.6336 127.6930 58.0199 39.0089 176.1470 69 S 4.4727 8.0435 118.9699 57.3147 64.1030 172.1789 70 G 3.3233 6.7333 105.9898 44.6023 0.0000 173.7188 71 G 3.7939 8.4772 106.7501 44.1312 0.0000 172.6279 72 S 4.2804 8.3883 113.5675 57.7783 62.5558 172.5306 73 P 3.9432 0.0000 0.0000 62.4754 31.8410 177.3404 74 G 3.7619 7.3807 107.2289 45.0673 0.0000 172.6027 75 A 4.6578 8.3076 117.8859 51.9830 20.9846 176.5847 76 D 5.3026 7.8995 115.6085 52.8314 43.5588 175.8025 77 R 4.8551 9.1527 119.8607 54.6782 35.0218 174.6129 78 V 4.2847 8.6002 115.6695 59.9961 34.2601 175.0718 79 V 4.6412 8.3946 124.0704 60.9230 34.0442 174.4401 80 F 5.5155 8.4462 122.0744 55.2769 42.1357 173.5002 81 N 5.7411 8.6983 116.9656 50.4268 39.8543 175.0579 82 E 4.3021 9.1657 118.3349 59.2999 29.7993 177.1272 83 N 4.7461 8.4562 114.3941 52.5065 38.6405 174.0088 84 N 3.6401 7.9920 114.9850 54.6652 37.8393 173.8092 85 Q 4.5955 8.1182 114.5757 53.3731 31.0487 175.2641 86 L 4.3562 8.3620 123.7019 55.0310 42.9542 176.1249 87 A 4.0337 8.6829 129.7887 52.7684 19.6123 176.8465 88 G 3.8163 6.1687 100.0851 46.2586 0.0000 171.5057 89 V 4.6759 7.5521 119.1374 60.8143 34.0707 174.5438 90 I 4.8952 8.4485 120.5992 59.6583 41.6414 173.7838 91 T 5.1808 8.9386 115.5842 61.5124 70.7128 174.1078 92 H 4.5922 9.3080 123.2737 57.8579 29.2954 176.0842 93 T 4.0299 7.7565 117.2632 64.9050 68.3695 174.4129 94 G 3.9096 9.1190 113.6933 45.6447 0.0000 172.5841 95 A 4.8188 7.7370 121.0864 49.6098 22.0625 177.0373 96 S 4.3747 8.6222 115.6870 59.0782 65.0626 175.2678 97 G 3.6460 8.2721 114.0695 48.0877 0.0000 174.1223 *98 N 4.7417 8.7076 121.2588 51.9139 37.3315 173.6125 99 N 4.8939 7.9711 117.3128 53.9848 39.5141 173.5252 100 F 5.2746 9.0045 117.2117 56.3762 43.5291 174.5518 101 V 4.8959 9.1761 112.4440 59.8683 36.0773 175.0654 102 E 4.3403 8.4100 121.0399 55.6568 30.5708 177.3951 103 C 4.7523 8.5893 120.3191 57.0152 41.4103 174.1700 104 T 4.1746 8.4640 110.9845 61.8806 68.4298 174.1156 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 A 8.26 4.28 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 2 C 8.36 4.64 0.00 3.03 3.21 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 3 D 9.52 4.27 0.00 2.75 2.41 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 4 Y 7.89 4.77 0.00 3.10 2.88 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 5 T 8.76 4.93 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 1.28 0.00 0.00 6 C 9.34 5.11 0.00 3.18 3.24 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 7 G 8.39 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 8 S 8.98 4.64 0.00 3.93 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 9 N 8.26 4.55 0.00 2.78 2.27 0.00 0.00 6.44 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 10 C 8.10 5.22 0.00 2.81 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 11 Y 9.00 5.41 0.00 3.09 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 12 S 9.38 5.13 0.00 3.94 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 13 S 9.68 4.37 0.00 3.88 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.10 4.14 0.00 4.07 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 15 D 8.04 4.40 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 16 V 7.81 3.40 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 0.88 0.00 0.00 0.60 0.00 0.00 17 S 8.25 4.10 0.00 3.90 3.89 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 18 T 7.91 3.83 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 19 A 7.98 4.22 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.53 3.84 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 21 A 7.94 3.82 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 22 A 7.72 3.87 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.20 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 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 7.61 3.26 0.00 2.34 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.82 3.95 0.00 1.92 1.84 0.00 1.47 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.43 7.81 26 L 7.40 3.86 0.00 1.59 1.72 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 H 7.82 3.85 0.00 2.99 2.80 0.00 5.79 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 28 E 7.47 3.71 0.00 1.94 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 2.20 2.01 0.00 29 D 7.74 4.55 0.00 2.71 2.65 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 0.00 0.00 0.00 0.00 30 G 7.59 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 31 E 8.18 4.97 0.00 1.90 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 2.20 2.28 0.00 32 T 8.37 5.20 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 33 V 9.44 4.59 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.34 0.00 0.00 34 G 8.89 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.67 4.19 0.00 3.97 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 36 N 8.33 4.71 0.00 2.81 2.73 0.00 0.00 7.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.51 3.73 0.00 3.95 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 38 Y 8.77 4.97 0.00 3.22 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 5.62 0.00 2.29 2.45 0.00 4.07 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 40 H 8.82 5.22 0.00 3.18 3.59 0.00 5.29 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.96 4.29 0.00 1.72 1.78 0.00 1.55 0.00 0.00 1.42 0.00 0.00 2.64 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.45 7.81 42 Y 8.55 4.82 0.00 2.88 2.82 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 43 N 8.13 4.75 0.00 2.73 2.71 0.00 0.00 7.03 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 N 8.31 4.30 0.00 3.00 2.80 0.00 0.00 6.97 7.56 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 45 Y 6.92 4.23 0.00 3.03 3.02 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 46 E 7.18 3.83 0.00 1.16 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 1.57 1.73 0.00 47 G 7.38 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 48 F 7.36 4.29 0.00 1.81 2.31 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 49 D 8.23 4.56 0.00 2.61 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 50 F 7.72 4.95 0.00 3.05 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.85 4.70 0.00 4.04 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 52 V 7.63 4.56 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.04 0.00 0.00 53 S 8.44 4.52 0.00 3.98 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 54 S 7.84 3.21 0.00 3.39 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 55 P 0.00 4.12 0.00 2.02 1.83 0.00 3.52 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 2.32 2.08 0.00 56 Y 7.91 5.21 0.00 3.22 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 57 Y 8.91 5.07 0.00 1.72 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 9.21 5.00 0.00 1.98 1.92 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 2.41 2.41 0.00 59 W 8.66 5.35 0.00 3.65 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 60 P 0.00 4.32 0.00 0.66 1.22 0.00 2.20 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 61 I 7.66 4.27 1.59 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.62 0.38 0.00 0.00 62 L 8.27 4.76 0.00 1.94 1.59 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.79 4.35 0.00 3.94 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 64 S 8.03 4.14 0.00 4.03 4.07 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 65 G 8.22 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 0.00 0.00 0.00 66 D 7.47 4.62 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 8.06 4.06 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 1.06 0.00 0.00 1.03 0.00 0.00 68 Y 8.63 4.13 0.00 2.59 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 0.00 0.00 0.00 69 S 8.04 4.47 0.00 3.88 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 70 G 6.73 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 0.00 0.00 0.00 71 G 8.48 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 0.00 0.00 0.00 72 S 8.39 4.28 0.00 3.88 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 73 P 0.00 3.94 0.00 1.55 1.33 0.00 3.93 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.97 0.00 74 G 7.38 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 75 A 8.31 4.66 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 76 D 7.90 5.30 0.00 2.77 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 77 R 9.15 4.86 0.00 1.37 1.56 0.00 3.13 0.00 0.00 2.84 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.96 0.00 78 V 8.60 4.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 1.27 0.00 0.00 79 V 8.39 4.64 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 0.40 0.00 0.00 0.09 0.00 0.00 80 F 8.45 5.52 0.00 3.24 3.08 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 81 N 8.70 5.74 0.00 3.11 3.24 0.00 0.00 6.54 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 82 E 9.17 4.30 0.00 2.14 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 0.00 2.43 2.58 0.00 83 N 8.46 4.75 0.00 2.76 2.79 0.00 0.00 6.85 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 84 N 7.99 3.64 0.00 1.44 2.20 0.00 0.00 6.95 6.66 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 85 Q 8.12 4.60 0.00 2.34 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 86 L 8.36 4.36 0.00 1.72 1.55 0.84 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.68 4.03 0.22 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 88 G 6.17 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 89 V 7.55 4.68 1.68 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 0.73 0.00 0.00 -0.11 0.00 0.00 90 I 8.45 4.90 1.74 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.34 0.44 0.00 0.00 91 T 8.94 5.18 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 1.30 0.00 0.00 92 H 9.31 4.59 0.00 3.20 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.76 4.03 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 94 G 9.12 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 95 A 7.74 4.82 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 96 S 8.62 4.37 0.00 4.02 4.01 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 97 G 8.27 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *98 N 8.71 4.74 0.00 2.75 2.70 0.00 0.00 6.56 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 99 N 7.97 4.89 0.00 2.89 3.12 0.00 0.00 6.64 7.05 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 0.00 100 F 9.00 5.27 0.00 3.21 3.08 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 0.00 101 V 9.18 4.90 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 0.88 0.00 0.00 1.08 0.00 0.00 102 E 8.41 4.34 0.00 1.65 1.67 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 1.47 1.47 0.00 103 C 8.59 4.75 0.00 3.07 3.18 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 0.00 104 T 8.46 4.17 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 * Residues marked with a * may have inaccurate shift predictions.