NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5512 8.3049 120.3340 54.7904 33.3821 175.3413 2 K 4.2137 8.8020 122.8717 56.5409 33.0080 174.5953 3 T 4.8968 9.2800 117.9027 62.1475 72.2223 173.2367 4 L 5.3345 8.9267 126.0223 53.6373 45.3644 174.9054 5 M 5.3074 9.1208 125.2925 53.5435 35.3667 174.5805 6 V 4.7495 8.7089 123.8429 61.1946 34.3868 174.1407 7 F 5.0359 9.4336 127.7836 56.2341 40.0672 174.6669 8 D 5.1201 9.6379 125.0669 53.6207 42.9010 175.5223 9 P 4.3238 0.0000 0.0000 64.6738 30.2369 177.8473 *20 T 4.1182 8.5837 110.6573 63.2990 70.3035 174.0432 21 D 4.6168 8.4065 122.9949 53.8843 39.6454 175.6945 22 V 3.2934 8.1214 110.7842 61.4655 29.7499 173.7050 23 D 4.4103 8.8098 122.9316 54.7230 40.5910 176.0377 24 Q 4.5571 9.1335 126.6606 55.8859 32.7399 174.4050 25 A 3.7932 7.7024 119.5265 55.2623 18.1137 179.3416 26 L 3.7446 8.0582 116.9113 58.2920 41.8059 180.0518 27 V 3.6903 7.5789 111.6142 64.3202 31.5325 178.2470 28 D 4.3490 8.9468 119.5278 57.2301 40.5558 178.5697 29 F 4.1763 8.5051 121.7378 61.3307 39.2762 177.3744 30 S 3.8456 8.0908 113.6703 61.2427 62.9730 176.5989 31 T 3.8288 7.9296 119.7928 66.6799 68.1806 176.3252 32 D 4.5181 8.3677 121.2049 57.1068 40.7784 178.9687 33 V 3.3746 7.5986 119.0865 66.0260 31.4445 178.1057 34 Q 3.9202 7.7120 117.8018 58.5938 28.3141 178.4165 35 W 4.2285 8.0602 129.0047 60.7438 30.6455 178.0653 36 L 3.2856 7.9518 118.6387 57.2748 40.7192 179.7359 37 K 4.0580 8.4311 119.4740 58.9391 32.1415 179.0336 38 Q 4.1944 8.4288 117.1412 57.8478 29.4516 176.5875 39 C 4.5285 7.5302 114.8861 54.4425 29.1083 172.6864 40 G 4.2178 8.2848 122.2899 46.2142 0.0000 171.6065 41 V 3.7172 7.7282 121.8499 61.7914 32.9793 174.3919 42 Q 4.3643 8.4874 125.6016 55.5919 30.1680 174.6001 43 I 5.0720 8.1946 123.9984 59.5014 40.9109 174.3334 44 E 4.5389 8.9518 126.2511 54.4063 32.3752 175.2874 45 R 4.8013 7.8723 121.5322 54.3820 33.5732 175.1992 46 F 5.2444 8.9256 120.1665 55.9868 43.6091 173.4271 47 N 6.0811 9.8515 119.2621 50.2196 40.8386 175.2099 48 L 3.6590 8.5651 117.9994 56.1676 42.1330 178.2653 49 A 4.2627 8.0738 120.8888 53.7657 18.9683 178.0196 50 Q 4.6056 8.3546 112.9852 56.6843 31.6873 176.1449 51 Q 4.8963 8.8974 117.5414 54.4745 29.8773 175.5792 52 P 4.5134 0.0000 0.0000 65.8253 31.9606 178.3643 53 M 4.1793 8.2867 117.1234 58.5030 30.9989 178.4934 54 S 4.0851 8.3022 115.5955 60.9400 62.4301 175.9893 55 F 4.1495 8.5180 119.7951 58.8958 38.6266 177.5805 56 V 4.0877 7.6584 110.6053 63.1769 32.5747 177.7094 57 Q 4.2131 8.1384 117.0887 57.1683 28.8748 176.0197 58 N 4.4926 7.5100 119.4242 52.3320 39.5426 175.2033 59 E 3.9856 8.7168 126.8181 59.3182 29.7524 178.7221 60 K 3.9794 7.9495 118.0919 58.9762 32.2470 179.4628 61 V 3.3050 7.6184 118.7300 65.5267 31.4615 177.9770 62 K 4.0635 8.6294 120.8954 58.9771 31.9833 178.5687 63 A 3.9838 8.1138 121.0559 54.9952 18.1844 179.1832 64 F 3.9968 8.3693 119.2235 61.6306 39.3913 177.4035 65 I 3.5729 7.9474 119.1979 64.4398 36.7048 178.1100 66 E 3.8888 7.8505 118.3185 58.9421 29.4912 178.4973 67 A 4.0211 7.9274 120.3040 55.0533 18.4894 178.9884 68 S 4.0587 8.3556 111.8547 57.6296 62.7715 175.3580 69 G 3.8905 7.6201 106.1661 45.1864 0.0000 174.2032 70 A 4.2091 8.3454 122.2091 54.7348 18.5932 179.7591 71 E 4.1264 8.2131 114.3651 58.6900 29.8949 178.0114 72 G 3.9558 8.2909 107.2479 45.8508 0.0000 173.8266 73 L 4.6667 7.7580 120.3242 53.8859 42.6287 175.3030 74 P 4.8069 0.0000 0.0000 62.6472 33.2675 174.4754 75 L 4.8827 8.8264 122.2099 53.1124 45.1292 174.9017 76 L 5.3062 8.5732 125.5147 52.9639 44.8236 175.2599 77 L 5.1431 9.0344 123.9773 52.7067 44.8835 175.1584 78 L 4.8451 8.7705 125.1793 53.7392 44.7012 176.1211 79 D 4.4339 9.9988 127.5186 55.4350 39.1023 174.9050 80 G 3.8679 8.3822 103.9298 45.6016 0.0000 173.2888 81 E 4.4675 7.8710 121.2855 53.8667 31.1503 175.3536 82 T 4.1308 8.3879 122.8486 64.2604 68.6849 174.1703 83 V 4.1429 7.8553 119.0842 61.1429 33.8155 175.5566 84 M 4.5076 7.6182 116.9805 55.0345 35.4270 173.3197 85 A 4.8101 8.8174 125.3342 52.0010 21.8764 176.3715 86 G 4.0472 9.7878 111.1507 45.5265 0.0000 173.1925 87 R 4.2682 7.1476 113.7309 55.8532 31.7973 173.3389 88 Y 4.4938 8.0908 115.8964 55.6417 39.6006 174.1276 89 P 4.6689 0.0000 0.0000 62.3039 32.6114 176.9936 90 K 4.3184 9.0873 120.6708 55.7469 34.1106 178.3830 91 R 3.8741 8.4612 120.1005 59.8798 29.8431 178.5228 92 A 4.1481 7.8291 119.6884 54.7433 18.3455 179.4469 93 E 3.5379 7.7620 117.0571 59.4069 29.5898 179.1312 94 L 3.9227 7.6249 118.7561 57.7522 41.6475 179.4133 95 A 4.2695 8.6593 121.1554 55.4050 18.3262 179.7175 96 R 3.8876 8.0130 117.1301 59.2738 29.8748 178.8463 97 W 4.4767 7.8229 118.3228 59.2386 29.1866 177.6847 98 F 4.7886 8.3623 114.9518 56.6262 38.8234 176.0451 99 G 3.9295 7.6342 105.2406 46.4964 0.0000 173.9762 100 I 4.0208 8.0887 121.8859 59.5865 37.2808 174.8125 101 P 4.5675 0.0000 0.0000 61.9111 32.0810 176.1356 102 L 4.1554 8.2112 119.4664 54.8762 42.1206 177.0253 103 D 4.6002 8.4681 122.7928 53.9034 41.6189 176.4091 104 K 4.2094 8.4280 122.9248 56.0857 32.4878 175.8181 105 V 3.7018 7.6208 122.3077 60.1363 31.9479 175.4525 106 G 3.8812 8.6929 116.6613 45.7844 0.0000 171.4227 107 L 4.2353 8.2424 123.9936 55.0334 39.8785 172.9886 108 A 4.7132 8.0423 125.6774 49.5864 21.1134 175.1247 109 P 4.4082 0.0000 0.0000 62.4984 31.1025 176.0970 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 M 8.30 4.55 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 2 K 8.80 4.21 0.00 1.88 1.77 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.65 1.56 7.81 3 T 9.28 4.90 4.45 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 1.27 0.00 0.00 4 L 8.93 5.33 0.00 2.23 1.68 1.20 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 5 M 9.12 5.31 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.73 0.00 6 V 8.71 4.75 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 1.35 0.00 0.00 1.27 0.00 0.00 7 F 9.43 5.04 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.64 5.12 0.00 2.87 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 9 P 0.00 4.32 0.00 2.24 1.98 0.00 4.01 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 *20 T 8.58 4.12 4.31 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 1.25 0.00 0.00 21 D 8.41 4.62 0.00 2.66 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 22 V 8.12 3.29 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 0.65 0.00 0.00 0.95 0.00 0.00 23 D 8.81 4.41 0.00 2.70 2.57 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 0.00 0.00 0.00 0.00 24 Q 9.13 4.56 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.59 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 25 A 7.70 3.79 1.42 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 26 L 8.06 3.74 0.00 1.81 1.74 1.03 0.93 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 27 V 7.58 3.69 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 0.92 0.00 0.00 0.97 0.00 0.00 28 D 8.95 4.35 0.00 2.82 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 29 F 8.51 4.18 0.00 2.94 2.90 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 30 S 8.09 3.85 0.00 4.02 4.16 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 31 T 7.93 3.83 4.35 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 1.16 0.00 0.00 32 D 8.37 4.52 0.00 2.73 2.84 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 33 V 7.60 3.37 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 0.70 0.00 0.00 0.15 0.00 0.00 34 Q 7.71 3.92 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.53 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 35 W 8.06 4.23 0.00 3.31 3.31 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 36 L 7.95 3.29 0.00 1.61 1.18 0.98 -0.08 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 37 K 8.43 4.06 0.00 1.57 1.77 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.34 7.81 38 Q 8.43 4.19 0.00 2.12 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.13 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 39 C 7.53 4.53 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 40 G 8.28 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 41 V 7.73 3.72 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 0.33 0.00 0.00 0.26 0.00 0.00 42 Q 8.49 4.36 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 43 I 8.19 5.07 1.79 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 1.37 0.59 0.91 0.00 0.00 44 E 8.95 4.54 0.00 1.79 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 2.14 2.19 0.00 45 R 7.87 4.80 0.00 1.48 1.93 0.00 3.17 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 46 F 8.93 5.24 0.00 2.46 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 47 N 9.85 6.08 0.00 2.90 3.05 0.00 0.00 6.89 6.92 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 48 L 8.57 3.66 0.00 1.36 1.52 0.63 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.07 4.26 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 50 Q 8.35 4.61 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.35 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 51 Q 8.90 4.90 0.00 2.42 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 52 P 0.00 4.51 0.00 2.25 2.54 0.00 3.88 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 53 M 8.29 4.18 0.00 2.33 2.42 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.72 0.00 54 S 8.30 4.09 0.00 4.01 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.52 4.15 0.00 3.33 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 56 V 7.66 4.09 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 0.86 0.00 0.00 1.03 0.00 0.00 57 Q 8.14 4.21 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 58 N 7.51 4.49 0.00 2.54 2.41 0.00 0.00 6.75 8.27 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 59 E 8.72 3.99 0.00 2.07 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 2.35 2.43 0.00 60 K 7.95 3.98 0.00 1.84 1.72 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.42 7.81 61 V 7.62 3.30 1.59 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 0.42 0.00 0.00 -0.56 0.00 0.00 62 K 8.63 4.06 0.00 2.05 1.97 0.00 1.82 0.00 0.00 1.90 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.32 7.81 63 A 8.11 3.98 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 64 F 8.37 4.00 0.00 3.17 3.22 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 65 I 7.95 3.57 1.91 0.00 0.00 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 1.86 0.93 0.91 0.00 0.00 66 E 7.85 3.89 0.00 2.08 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 2.28 2.30 0.00 67 A 7.93 4.02 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 68 S 8.36 4.06 0.00 2.75 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 69 G 7.62 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 0.00 0.00 0.00 70 A 8.35 4.21 1.30 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 0.00 0.00 71 E 8.21 4.13 0.00 1.94 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 2.31 2.37 0.00 72 G 8.29 3.96 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 0.00 0.00 0.00 73 L 7.76 4.67 0.00 1.75 1.74 1.15 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.81 0.00 1.77 1.80 0.00 3.31 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.44 0.00 75 L 8.83 4.88 0.00 0.96 1.31 0.28 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.57 5.31 0.00 1.67 1.55 0.86 0.73 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 77 L 9.03 5.14 0.00 1.62 1.40 0.89 0.40 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 78 L 8.77 4.85 0.00 1.18 1.09 0.54 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 79 D 10.00 4.43 0.00 2.72 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 80 G 8.38 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 81 E 7.87 4.47 0.00 2.03 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 0.00 2.13 2.20 0.00 82 T 8.39 4.13 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 1.08 0.00 0.00 83 V 7.86 4.14 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 0.00 0.00 0.06 0.00 0.00 -0.15 0.00 0.00 84 M 7.62 4.51 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 85 A 8.82 4.81 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 86 G 9.79 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 87 R 7.15 4.27 0.00 1.87 1.86 0.00 3.05 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 88 Y 8.09 4.49 0.00 2.95 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 89 P 0.00 4.67 0.00 1.88 1.79 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 90 K 9.09 4.32 0.00 1.69 1.73 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.56 7.81 91 R 8.46 3.87 0.00 1.76 1.69 0.00 2.68 0.00 0.00 2.59 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.56 0.00 92 A 7.83 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 93 E 7.76 3.54 0.00 1.84 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 2.20 2.24 0.00 94 L 7.62 3.92 0.00 2.20 2.15 1.21 1.31 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 95 A 8.66 4.27 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.01 3.89 0.00 1.91 2.00 0.00 3.14 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 97 W 7.82 4.48 0.00 3.18 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 98 F 8.36 4.79 0.00 3.26 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 99 G 7.63 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 0.00 100 I 8.09 4.02 2.05 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.59 1.09 0.00 0.00 101 P 0.00 4.57 0.00 2.21 2.09 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 102 L 8.21 4.16 0.00 1.68 1.67 0.94 1.08 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 0.00 103 D 8.47 4.60 0.00 2.68 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.43 4.21 0.00 1.76 1.74 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.43 7.81 105 V 7.62 3.70 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 0.79 0.00 0.00 0.93 0.00 0.00 106 G 8.69 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 0.00 107 L 8.24 4.24 0.00 1.71 2.02 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.04 4.71 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 0.00 109 P 0.00 4.41 0.00 2.06 1.97 0.00 3.71 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 2.03 2.14 0.00 * Residues marked with a * may have inaccurate shift predictions.