NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4848 8.1627 120.6208 55.5035 34.2413 173.5184 2 R 4.8187 8.5326 126.5392 54.3293 32.0937 169.4707 3 V 4.8794 9.3049 128.1826 60.9857 35.1460 173.3750 4 A 5.1381 8.8386 128.8545 50.1931 22.0966 175.3488 5 I 5.1219 8.7237 121.8302 57.4638 41.3861 173.1206 6 P 3.4848 0.0000 0.0000 62.3621 32.2136 175.0323 7 A 5.1119 8.4427 126.4197 49.9172 20.8378 176.2907 8 E 4.1494 8.6179 119.0264 58.4835 30.2590 176.5690 9 D 4.9183 7.9673 118.3491 51.7545 44.7762 175.9225 10 D 3.7379 7.9153 117.3322 54.3873 39.4096 177.8784 11 R 4.0462 7.6535 119.0149 56.6601 31.8297 179.1484 12 G 3.7594 7.3060 107.5599 46.5569 0.0000 176.0266 13 I 3.8674 8.6203 127.0392 62.1055 37.9508 175.6049 14 K 4.5516 7.8355 117.4838 56.9540 33.1249 176.2271 15 S 4.4544 8.0611 116.9035 57.9049 64.6401 172.2389 16 N 5.3014 8.2936 117.8368 51.1115 41.3277 174.9302 17 V 3.7899 8.1454 121.3738 63.0121 32.0336 176.1965 18 S 4.2055 8.5839 124.8814 58.7357 63.0919 174.8010 19 K 4.1616 8.9247 123.3936 59.2079 33.5447 176.2719 20 H 5.1468 8.1043 118.1796 53.6116 30.8760 173.9910 21 F 4.2527 8.9519 126.8557 59.5514 39.6363 174.1329 22 G 4.4176 8.3997 116.4068 46.6247 0.0000 175.5215 23 R 4.1272 7.2711 116.2236 56.8559 30.6502 177.3262 24 S 3.9639 7.9355 112.5169 59.0699 62.6315 173.7094 25 R 4.3395 8.3987 124.4791 56.3163 31.6542 175.1750 26 Y 5.3654 7.4720 116.6384 56.1816 42.6657 174.2437 27 F 4.8450 9.2842 121.0126 55.5956 42.9870 174.0621 28 V 4.6189 8.8766 123.5923 61.5701 33.2576 174.3317 29 F 5.3447 9.7533 127.5218 55.9277 41.5202 175.1491 30 V 4.8384 8.8367 115.5821 59.7719 36.4290 174.0114 31 D 5.2707 8.7336 123.2367 52.9065 42.9553 175.1078 32 I 4.8234 8.8411 125.5432 59.6239 39.1952 175.4481 33 E 4.4563 8.9790 126.5317 55.1071 32.1752 175.5800 34 G 3.9552 8.5678 115.8419 46.5425 0.0000 172.7915 35 E 4.4031 8.6968 118.2012 56.5467 30.4727 175.8488 36 D 4.7196 8.0499 120.8832 53.3479 41.9473 175.1228 37 V 4.4202 8.3021 127.1913 60.7415 32.0481 174.8507 38 K 4.3410 8.5681 124.4860 57.1143 33.7884 177.1887 39 N 4.8898 7.5066 118.8997 51.5267 37.4321 172.6879 40 V 3.9753 7.8209 119.7843 62.7730 32.7605 174.6520 41 E 4.9158 9.7361 129.3790 54.3138 33.0359 174.2658 42 V 5.1012 8.6565 125.8291 59.9492 34.0933 174.9876 43 V 4.6265 8.9508 124.1038 60.7966 34.4721 174.1274 44 E 4.5683 9.2250 129.5402 56.0909 30.2447 176.7357 45 V 2.9859 8.0189 120.7472 59.7830 32.2861 176.2816 46 P 3.9414 0.0000 0.0000 63.6351 30.6178 177.0043 47 F 3.5511 7.6432 109.1595 57.8261 36.0464 174.8444 *53 G 3.4784 6.9270 111.5322 46.2926 0.0000 173.1849 54 D 4.2787 7.5257 118.9391 56.0492 41.2251 179.0938 55 L 3.8732 7.5937 119.1111 57.4456 41.8672 177.2610 56 P 3.8905 0.0000 0.0000 65.7719 30.9991 178.3876 57 N 4.3906 7.7836 115.2276 56.1741 38.3899 177.2411 58 F 4.2326 8.1777 122.1964 61.3217 39.5156 177.3256 59 I 3.8303 8.0430 119.5946 63.9048 36.8941 178.2738 60 K 3.9553 8.1665 120.5192 59.8277 31.9396 178.6784 61 D 3.8055 8.1832 117.8199 57.5409 40.8090 177.2120 62 H 3.8973 7.5439 113.5030 55.6464 28.5715 176.3128 63 G 3.8352 8.8122 109.0931 45.1033 0.0000 174.0031 64 A 4.3976 7.6821 122.5780 52.0231 19.2322 177.4214 65 K 4.5567 9.2844 122.0662 56.6074 34.7792 175.8938 66 I 5.0365 7.5807 119.7129 59.4136 41.7826 174.1694 67 V 4.5946 8.4016 125.7602 61.0216 33.9741 173.9891 68 L 5.0040 8.4039 128.4457 53.4938 43.3925 175.8235 69 T 4.2495 8.5448 113.3408 60.5659 72.6742 172.4520 70 Y 4.3995 8.2535 122.1324 56.8108 39.0099 174.1485 71 G 3.9365 8.1457 104.9798 44.4499 0.0000 171.3834 72 I 4.8095 7.8325 120.0381 58.5092 41.0363 174.9939 73 G 4.0145 8.5651 113.1531 43.9112 0.0000 174.5282 74 R 3.9774 8.7199 121.5513 59.9012 30.1134 179.1076 75 R 4.0138 8.1004 116.6300 59.1616 30.1071 178.8227 76 A 4.0865 8.0566 120.2864 54.9814 18.4687 179.5136 77 I 3.8200 7.9133 118.4916 64.8222 37.2322 178.5692 78 E 4.1133 8.3670 119.1883 59.0549 28.9694 178.9227 79 Y 3.6499 7.6109 118.9118 60.6280 39.1913 177.2511 80 F 4.4760 8.2361 118.7309 60.9848 39.0886 177.5419 81 N 4.8791 8.6108 117.5270 55.8132 38.1401 177.6313 82 S 4.2370 8.1580 114.5526 60.5801 63.0512 175.4542 83 L 4.5590 7.8473 121.0475 54.0196 41.6012 176.8566 84 G 3.9012 7.9784 106.8313 46.0385 0.0000 173.1902 85 I 4.6429 7.6835 120.2483 59.3146 39.5838 174.8010 86 S 4.7695 8.6188 121.9569 57.2190 64.2985 172.8281 87 V 4.7043 8.1587 124.4799 61.0376 34.2355 174.4519 88 V 4.5058 8.8611 128.0418 61.3231 33.6424 174.4831 89 T 4.4163 8.4784 116.7486 60.5807 71.6021 174.4129 90 G 3.4962 7.8610 110.7694 45.2062 0.0000 173.5110 91 V 4.0743 7.4721 120.7057 62.4482 32.1005 174.6158 92 Y 4.7916 7.8095 123.4001 55.9855 41.5385 175.0570 93 G 3.7610 8.5784 105.9393 44.4189 0.0000 172.1053 94 R 4.6218 8.1306 119.4366 55.8663 31.6584 178.4014 95 I 3.7096 8.6819 127.5761 64.0183 37.1059 178.8521 96 S 4.0780 7.7535 115.6350 61.6584 62.7381 176.4657 97 D 4.2843 7.9473 122.3603 56.8050 40.5889 178.6004 98 V 3.5305 7.8722 118.8362 66.1747 31.4432 178.1764 99 I 3.7411 8.3747 119.7164 64.2034 37.0504 178.4281 100 K 3.9120 8.1292 119.1764 59.5559 31.8742 179.1815 101 A 4.0039 8.1551 120.8906 54.9564 18.2885 179.3862 102 F 4.0938 8.5013 119.3314 61.7289 39.3062 177.3442 103 I 3.7716 7.7666 118.0419 63.9132 36.8601 177.5191 104 G 4.0620 7.7467 104.0440 43.6759 0.0000 173.7088 105 G 3.9340 7.5576 106.4445 45.6592 0.0000 174.7598 106 K 4.4315 7.9151 120.8762 53.9239 32.0229 175.0031 107 L 4.2488 7.9725 122.4771 53.3896 42.8249 177.2387 108 K 4.3060 8.2905 122.0757 55.3746 31.6621 176.0687 109 I 4.5442 7.8940 124.4076 59.2313 39.7490 175.6891 110 D 4.6760 9.4213 125.4450 53.0423 40.2252 176.6909 111 Y 4.3199 8.3708 125.1441 60.2981 38.1371 176.5905 112 D 4.7714 8.4691 119.3015 53.4845 41.2432 177.9178 113 W 4.3255 7.7094 117.5483 58.6863 28.0186 177.5010 114 K 3.7220 6.6254 117.4215 58.5357 32.3670 176.2818 115 E 3.8316 7.0305 117.3471 60.1212 28.8130 176.7361 116 K 4.1367 8.8754 124.3986 56.6272 32.8055 175.2950 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 8.16 4.48 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 2 R 8.53 4.82 0.00 2.17 1.94 0.00 3.31 0.00 0.00 3.64 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 3 V 9.30 4.88 1.95 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 0.55 0.00 0.00 0.86 0.00 0.00 4 A 8.84 5.14 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 5 I 8.72 5.12 1.74 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 0.77 1.03 0.80 0.00 0.00 6 P 0.00 3.48 0.00 1.78 1.70 0.00 3.85 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 7 A 8.44 5.11 1.11 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 0.00 0.00 8 E 8.62 4.15 0.00 1.99 2.05 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 2.39 2.24 0.00 9 D 7.97 4.92 0.00 2.62 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.92 3.74 0.00 2.60 2.29 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 11 R 7.65 4.05 0.00 1.82 1.93 0.00 3.22 0.00 0.00 3.12 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 12 G 7.31 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 13 I 8.62 3.87 1.86 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 1.39 1.30 0.90 0.00 0.00 14 K 7.84 4.55 0.00 1.81 1.76 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.32 7.81 15 S 8.06 4.45 0.00 3.88 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 16 N 8.29 5.30 0.00 2.62 2.65 0.00 0.00 6.46 7.68 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 17 V 8.15 3.79 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 0.71 0.00 0.00 0.98 0.00 0.00 18 S 8.58 4.21 0.00 3.69 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 19 K 8.92 4.16 0.00 1.74 1.87 0.00 1.51 0.00 0.00 1.55 0.00 0.00 2.61 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.24 1.36 7.81 20 H 8.10 5.15 0.00 3.10 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.95 4.25 0.00 3.14 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 22 G 8.40 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 23 R 7.27 4.13 0.00 1.91 1.97 0.00 3.19 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 24 S 7.94 3.96 0.00 3.56 3.39 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 25 R 8.40 4.34 0.00 1.41 1.23 0.00 3.03 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 26 Y 7.47 5.37 0.00 2.82 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 27 F 9.28 4.84 0.00 3.10 2.36 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 0.00 28 V 8.88 4.62 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 1.02 0.00 0.00 0.91 0.00 0.00 29 F 9.75 5.34 0.00 3.06 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 30 V 8.84 4.84 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 0.78 0.00 0.00 0.98 0.00 0.00 31 D 8.73 5.27 0.00 2.64 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 32 I 8.84 4.82 1.99 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.62 1.01 0.00 0.00 33 E 8.98 4.46 0.00 1.94 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 2.23 2.37 0.00 34 G 8.57 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 35 E 8.70 4.40 0.00 2.09 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 0.00 2.22 2.28 0.00 36 D 8.05 4.72 0.00 2.78 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 37 V 8.30 4.42 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 0.81 0.00 0.00 0.95 0.00 0.00 38 K 8.57 4.34 0.00 1.76 1.83 0.00 1.72 0.00 0.00 2.00 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.54 7.81 39 N 7.51 4.89 0.00 2.75 2.77 0.00 0.00 6.83 7.68 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 40 V 7.82 3.98 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 0.75 0.00 0.00 0.95 0.00 0.00 41 E 9.74 4.92 0.00 2.07 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 2.34 2.30 0.00 42 V 8.66 5.10 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 0.79 0.00 0.00 0.98 0.00 0.00 43 V 8.95 4.63 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 1.26 0.00 0.00 1.17 0.00 0.00 44 E 9.22 4.57 0.00 2.29 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 2.16 1.97 0.00 45 V 8.02 2.99 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.74 0.00 0.00 46 P 0.00 3.94 0.00 1.63 1.66 0.00 3.20 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 47 F 7.64 3.55 0.00 3.10 3.03 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 *53 G 6.93 3.48 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 0.00 54 D 7.53 4.28 0.00 2.60 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 55 L 7.59 3.87 0.00 1.72 1.83 0.64 0.85 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 56 P 0.00 3.89 0.00 1.40 1.20 0.00 3.19 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.10 0.00 57 N 7.78 4.39 0.00 2.65 2.87 0.00 0.00 6.63 8.12 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 58 F 8.18 4.23 0.00 3.10 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 59 I 8.04 3.83 2.25 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.86 1.08 0.00 0.00 60 K 8.17 3.96 0.00 2.04 1.97 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.69 7.81 61 D 8.18 3.81 0.00 2.55 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 62 H 7.54 3.90 0.00 2.72 1.98 0.00 5.69 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 63 G 8.81 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 64 A 7.68 4.40 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.28 4.56 0.00 1.85 1.81 0.00 1.50 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.46 7.81 66 I 7.58 5.04 1.77 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.70 0.86 0.00 0.00 67 V 8.40 4.59 1.53 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 0.76 0.00 0.00 0.27 0.00 0.00 68 L 8.40 5.00 0.00 1.47 1.40 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.54 4.25 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 1.15 0.00 0.00 70 Y 8.25 4.40 0.00 3.10 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 71 G 8.15 3.94 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 72 I 7.83 4.81 1.70 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.54 0.72 0.00 0.00 73 G 8.57 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 0.00 0.00 0.00 74 R 8.72 3.98 0.00 1.95 2.03 0.00 3.22 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 75 R 8.10 4.01 0.00 1.96 2.04 0.00 3.23 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 76 A 8.06 4.09 1.36 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 0.00 0.00 0.00 77 I 7.91 3.82 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.74 0.97 0.00 0.00 78 E 8.37 4.11 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 79 Y 7.61 3.65 0.00 3.14 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 80 F 8.24 4.48 0.00 3.36 3.20 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 0.00 0.00 0.00 0.00 81 N 8.61 4.88 0.00 2.97 2.90 0.00 0.00 6.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.16 4.24 0.00 3.89 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 83 L 7.85 4.56 0.00 1.93 1.83 1.07 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.98 3.90 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 0.00 0.00 0.00 85 I 7.68 4.64 2.31 0.00 0.00 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 1.49 1.61 0.78 0.00 0.00 86 S 8.62 4.77 0.00 3.95 3.71 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 0.00 0.00 0.00 0.00 87 V 8.16 4.70 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.63 0.00 0.00 88 V 8.86 4.51 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 0.91 0.00 0.00 0.96 0.00 0.00 89 T 8.48 4.42 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 1.01 0.00 0.00 90 G 7.86 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.47 4.07 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 0.88 0.00 0.00 0.85 0.00 0.00 92 Y 7.81 4.79 0.00 2.95 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 93 G 8.58 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 94 R 8.13 4.62 0.00 1.86 1.77 0.00 3.20 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 95 I 8.68 3.71 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.46 0.84 0.00 0.00 96 S 7.75 4.08 0.00 3.98 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 0.00 97 D 7.95 4.28 0.00 2.89 2.70 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 98 V 7.87 3.53 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 1.03 0.00 0.00 0.87 0.00 0.00 99 I 8.37 3.74 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.43 0.95 0.00 0.00 100 K 8.13 3.91 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.57 7.81 101 A 8.16 4.00 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 0.00 102 F 8.50 4.09 0.00 3.12 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 0.00 103 I 7.77 3.77 2.15 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 1.53 0.91 0.97 0.00 0.00 104 G 7.75 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 0.00 105 G 7.56 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 0.00 106 K 7.92 4.43 0.00 1.66 1.68 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.37 7.81 107 L 7.97 4.25 0.00 1.70 1.56 1.13 1.03 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 0.00 108 K 8.29 4.31 0.00 1.39 1.63 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.27 7.81 109 I 7.89 4.54 1.43 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 1.21 0.52 0.61 0.00 0.00 110 D 9.42 4.68 0.00 2.69 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 0.00 111 Y 8.37 4.32 0.00 3.10 3.03 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 0.00 112 D 8.47 4.77 0.00 2.81 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 0.00 113 W 7.71 4.33 0.00 2.39 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 0.00 114 K 6.63 3.72 0.00 1.39 0.74 0.00 1.34 0.00 0.00 1.35 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.56 0.99 7.81 115 E 7.03 3.83 0.00 2.06 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 2.57 2.23 0.00 116 K 8.88 4.14 0.00 1.89 2.22 0.00 1.95 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.