NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4670 8.3349 115.4110 58.2767 64.3623 172.7011 4 M 4.5544 8.3613 120.6623 53.0827 34.8438 173.6336 5 A 4.7521 8.9274 125.5688 49.8727 23.5691 175.3197 6 L 3.9331 8.3681 120.1426 54.6171 42.1519 178.2224 7 G 3.8333 8.0794 112.7775 43.4174 0.0000 171.0330 8 P 4.1659 0.0000 0.0000 62.6290 31.6587 176.0305 9 F 4.6134 8.5098 120.8210 55.1454 38.9884 174.1036 10 P 4.3023 0.0000 0.0000 62.3554 31.7851 176.1523 11 A 4.0612 8.4851 124.0487 55.0842 18.8689 176.9121 12 M 4.0822 7.0072 117.4268 55.3661 33.0077 176.4828 *15 Q 4.2744 8.6666 115.3022 54.1021 30.5662 172.8490 16 V 4.1149 7.4711 115.7591 61.3869 33.1070 175.1152 17 L 4.3869 8.2229 124.0349 54.5378 43.5332 175.1355 18 V 4.6064 8.3748 126.0210 61.2042 34.2110 173.9013 19 I 4.4674 8.4081 129.6600 59.7394 38.9962 174.9032 20 R 4.7455 8.6733 129.5622 55.3553 31.1989 175.5962 21 I 4.3877 8.8377 129.9336 59.8889 38.0640 175.0828 22 K 4.4407 8.5228 130.4343 55.7965 33.0187 175.9513 23 I 4.5987 8.6757 129.3042 58.4310 39.5057 173.5463 24 P 4.4188 0.0000 0.0000 64.5247 31.0946 175.4105 25 N 4.3370 9.0472 119.6082 54.0421 36.2352 175.1733 26 S 4.5727 8.6679 112.1214 57.9852 67.0504 174.1035 27 G 3.7639 7.2782 106.6848 44.2057 0.0000 171.8320 28 A 5.1033 8.1550 123.2507 50.3991 22.8993 176.1303 29 V 4.2807 8.5634 119.9954 61.1720 34.2558 174.2507 30 D 5.1694 8.8122 128.1749 52.9922 41.8080 175.7686 31 W 4.8334 9.2935 135.0000 56.0848 32.2703 175.1875 32 T 4.5425 8.6968 125.1860 62.8579 68.7218 174.5023 33 V 3.7546 8.5212 130.6056 62.0544 32.4538 176.0404 *34 H 4.3261 8.8772 127.8632 54.9181 28.5127 172.1710 35 S 4.3898 8.5319 124.0632 56.9117 63.1884 171.1277 *38 Q 4.1576 8.3629 122.3917 53.6634 29.3479 172.5750 39 L 4.2296 8.5591 124.9570 54.0367 42.7150 176.0113 40 L 4.9182 8.3469 125.9725 53.1681 43.8751 177.0642 41 F 4.3839 10.1140 125.0000 61.9013 39.2460 177.5916 42 R 3.7652 8.2909 117.4803 59.8550 29.7661 178.0063 43 D 4.3871 8.0987 118.4406 57.1333 40.7386 178.9082 44 V 3.7720 7.8361 118.3901 66.1244 31.5838 177.9164 45 L 3.8814 7.7981 118.6459 57.7631 41.4246 179.3614 46 D 4.2122 7.9030 118.9087 57.2426 40.7595 178.9466 47 V 3.1847 7.4614 118.6408 65.8638 31.2960 177.9411 48 I 3.6832 7.8081 119.8918 64.5282 36.8435 178.6953 49 G 3.5267 8.2712 106.3705 47.4698 0.0000 175.9650 50 Q 3.9089 7.5348 119.5941 58.9605 28.8817 178.5339 51 V 3.9103 7.5046 111.4191 61.8870 33.3872 176.2820 52 L 4.7639 7.9108 120.5327 52.7390 41.5200 174.9104 53 P 4.8116 0.0000 0.0000 63.8529 32.3403 177.8063 54 E 4.4446 8.1489 116.6195 55.8036 29.7015 174.8609 55 A 4.7945 7.3751 120.3826 50.5923 21.6854 176.3788 56 T 4.6090 8.2340 115.4929 61.9951 70.7717 174.3959 57 T 4.6182 8.4683 122.1964 62.1208 70.9244 173.6552 58 T 4.5891 7.9513 113.2087 62.3003 70.6001 173.8201 59 A 4.9879 7.9660 123.3936 51.3415 23.6473 174.4142 60 F 5.5386 8.2251 111.9888 56.0895 42.0412 173.3111 61 E 5.5799 9.8018 118.8042 54.9389 33.0042 174.7849 62 Y 5.5942 8.9317 119.2832 55.5827 42.6574 173.2744 63 E 5.0319 9.1167 120.7447 54.9427 31.7016 175.6060 64 D 4.6686 8.5543 127.4044 51.6942 41.5866 176.6917 65 E 4.1305 8.1711 115.9952 59.0367 29.5170 177.1802 66 D 4.5052 8.2367 117.6678 54.0148 41.2780 177.0511 67 G 3.9440 8.2700 107.6521 45.3203 0.0000 173.3132 68 D 4.6769 8.1237 119.7349 53.1927 42.6512 176.0212 69 R 4.4656 8.3807 121.5196 56.0515 30.9024 175.7759 70 I 4.2323 8.4911 125.8466 59.6966 39.3383 175.1193 71 T 4.6656 8.3419 123.6821 62.7191 69.4410 174.2079 72 V 4.3619 8.6568 125.7827 61.0711 33.7909 175.9176 73 R 4.4364 8.5728 124.6957 54.7170 31.9448 175.3609 74 S 4.0984 6.2372 111.8487 56.1708 66.5665 175.1768 75 D 4.3841 8.4261 122.6338 57.5667 40.6832 178.9060 76 E 3.9667 8.0647 118.7584 59.4175 29.4787 179.0805 77 E 4.0023 8.1832 118.6995 59.4083 29.4615 179.0712 78 M 4.1065 8.2100 119.0166 58.5588 32.0114 178.9229 79 K 3.9869 8.3911 118.4390 59.4684 32.3148 179.2735 80 A 4.0133 7.9278 120.5470 55.1758 18.2889 179.3667 81 M 3.7088 8.1832 116.7132 58.7569 32.2604 178.4053 82 L 3.5467 8.1073 119.4888 57.6454 41.7256 179.4844 83 S 4.1574 8.2748 113.2688 61.5390 62.3405 175.5617 84 Y 4.1542 7.9511 121.9392 60.7988 38.6018 177.2660 85 Y 3.6671 7.8796 120.3030 60.9800 38.7863 177.7668 86 Y 4.2973 7.8904 117.8313 61.3440 38.0722 179.0293 87 S 4.0883 8.1107 116.0357 61.6546 62.8646 176.9417 88 T 3.7111 7.5946 118.5678 66.4773 68.1856 176.8698 89 V 3.3411 7.5536 120.5406 66.1208 31.5221 177.6805 90 M 4.0745 8.1360 118.0857 58.4794 31.7928 177.5809 91 E 3.8759 7.9100 119.0187 59.6793 29.8160 179.0255 92 Q 4.1083 7.9865 117.8437 58.8434 28.6515 178.4931 93 Q 3.9783 8.5659 119.5332 59.0969 28.6193 179.1257 94 V 3.7822 7.5536 116.5357 64.6348 31.6327 176.5153 95 N 4.9390 7.2659 113.8563 52.1937 39.4052 174.8469 96 G 3.9138 7.6587 107.8301 46.3121 0.0000 174.3251 97 Q 4.1862 7.9873 120.2978 55.3750 29.3538 176.8656 98 L 4.1316 8.2412 120.7400 54.3815 41.5343 177.7232 99 I 4.4071 8.2188 124.5307 59.5887 38.1641 175.3057 100 E 4.6697 8.4490 124.6460 53.8314 31.3777 173.8594 101 P 4.6276 0.0000 0.0000 62.0817 32.7845 175.5704 102 L 3.8585 8.2116 123.0584 54.5113 42.5468 175.0644 103 Q 4.8778 8.5553 128.6497 54.7414 30.2100 174.5917 104 I 4.9939 8.4365 119.4840 59.0697 41.6060 174.5227 105 F 5.0603 9.1522 121.7823 54.9935 41.6261 173.0689 106 P 4.9671 0.0000 0.0000 62.9002 32.1699 176.0597 107 R 4.6912 9.1457 122.7517 54.0201 33.2258 175.2208 108 A 4.2099 8.8422 127.6133 52.8059 18.3700 176.8901 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 3 S 8.33 4.47 0.00 3.99 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 4 M 8.36 4.55 0.00 2.04 1.96 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 2.47 2.58 0.00 5 A 8.93 4.75 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 6 L 8.37 3.93 0.00 1.60 1.41 1.03 0.81 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 7 G 8.08 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 0.00 0.00 0.00 8 P 0.00 4.17 0.00 2.15 2.03 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 9 F 8.51 4.61 0.00 3.01 2.93 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 10 P 0.00 4.30 0.00 2.00 2.01 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 11 A 8.49 4.06 0.53 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 0.00 0.00 12 M 7.01 4.08 0.00 1.97 1.79 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.20 0.00 *15 Q 8.67 4.27 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.95 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 16 V 7.47 4.11 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 0.84 0.00 0.00 0.91 0.00 0.00 17 L 8.22 4.39 0.00 1.86 1.48 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.37 4.61 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 0.93 0.00 0.00 0.91 0.00 0.00 19 I 8.41 4.47 1.74 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.01 0.81 0.00 0.00 20 R 8.67 4.75 0.00 1.88 1.72 0.00 3.04 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 21 I 8.84 4.39 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.66 0.84 0.00 0.00 22 K 8.52 4.44 0.00 1.42 1.30 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.55 7.81 23 I 8.68 4.60 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 1.40 1.14 0.92 0.00 0.00 24 P 0.00 4.42 0.00 2.20 2.15 0.00 3.95 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 25 N 9.05 4.34 0.00 2.88 2.93 0.00 0.00 6.91 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 26 S 8.67 4.57 0.00 3.94 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 27 G 7.28 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 28 A 8.15 5.10 1.15 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 0.00 0.00 29 V 8.56 4.28 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 0.82 0.00 0.00 0.90 0.00 0.00 30 D 8.81 5.17 0.00 2.61 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 31 W 9.29 4.83 0.00 3.21 3.16 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 32 T 8.70 4.54 4.27 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 1.18 0.00 0.00 33 V 8.52 3.75 1.69 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 0.39 0.00 0.00 -0.49 0.00 0.00 *34 H 8.88 4.33 0.00 2.97 2.85 0.00 7.25 0.00 0.00 0.00 0.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.53 4.39 0.00 3.62 3.67 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 0.00 0.00 0.00 *38 Q 8.36 4.16 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 39 L 8.56 4.23 0.00 1.55 1.63 0.93 0.77 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 40 L 8.35 4.92 0.00 1.83 1.66 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 F 10.11 4.38 0.00 3.15 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.29 3.77 0.00 1.97 1.98 0.00 3.25 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.74 0.00 43 D 8.10 4.39 0.00 3.09 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 44 V 7.84 3.77 2.33 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 0.83 0.00 0.00 1.11 0.00 0.00 45 L 7.80 3.88 0.00 1.67 1.56 0.66 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.90 4.21 0.00 2.78 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 47 V 7.46 3.18 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 0.20 0.00 0.00 -0.22 0.00 0.00 48 I 7.81 3.68 1.94 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 1.37 0.56 0.90 0.00 0.00 49 G 8.27 3.53 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 0.00 0.00 0.00 50 Q 7.53 3.91 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 51 V 7.50 3.91 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 0.61 0.00 0.00 0.93 0.00 0.00 52 L 7.91 4.76 0.00 1.63 1.67 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.81 0.00 2.19 2.12 0.00 3.37 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 54 E 8.15 4.44 0.00 1.95 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 2.21 2.21 0.00 55 A 7.38 4.79 1.24 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 0.00 0.00 56 T 8.23 4.61 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 1.22 0.00 0.00 57 T 8.47 4.62 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 1.38 0.00 0.00 58 T 7.95 4.59 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 1.24 0.00 0.00 59 A 7.97 4.99 1.33 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 0.00 0.00 0.00 60 F 8.23 5.54 0.00 3.41 3.25 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 61 E 9.80 5.58 0.00 2.12 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 0.00 2.23 2.31 0.00 62 Y 8.93 5.59 0.00 3.19 3.16 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 63 E 9.12 5.03 0.00 2.21 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 2.38 2.36 0.00 64 D 8.55 4.67 0.00 2.45 2.50 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 65 E 8.17 4.13 0.00 2.24 2.35 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 2.27 2.31 0.00 66 D 8.24 4.51 0.00 2.78 2.71 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 67 G 8.27 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 68 D 8.12 4.68 0.00 2.65 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.38 4.47 0.00 1.58 1.91 0.00 3.15 0.00 0.00 2.82 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 70 I 8.49 4.23 0.56 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.41 0.68 0.00 0.00 71 T 8.34 4.67 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 1.16 0.00 0.00 72 V 8.66 4.36 1.00 0.00 0.00 0.00 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 1.13 0.00 0.00 73 R 8.57 4.44 0.00 1.61 1.74 0.00 3.20 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 74 S 6.24 4.10 0.00 3.83 3.67 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 0.00 0.00 0.00 75 D 8.43 4.38 0.00 2.74 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 76 E 8.06 3.97 0.00 1.93 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 2.39 2.33 0.00 77 E 8.18 4.00 0.00 2.01 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 2.28 2.26 0.00 78 M 8.21 4.11 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 3.03 0.00 79 K 8.39 3.99 0.00 1.96 1.89 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.66 7.81 80 A 7.93 4.01 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 81 M 8.18 3.71 0.00 2.04 1.63 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.04 0.00 82 L 8.11 3.55 0.00 1.67 1.14 0.94 0.46 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 83 S 8.27 4.16 0.00 3.97 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 84 Y 7.95 4.15 0.00 3.18 3.26 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 0.00 85 Y 7.88 3.67 0.00 2.87 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 86 Y 7.89 4.30 0.00 3.08 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 87 S 8.11 4.09 0.00 3.99 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 88 T 7.59 3.71 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 1.08 0.00 0.00 89 V 7.55 3.34 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 0.73 0.00 0.00 0.11 0.00 0.00 90 M 8.14 4.07 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 91 E 7.91 3.88 0.00 2.06 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 0.00 2.28 2.34 0.00 92 Q 7.99 4.11 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 93 Q 8.57 3.98 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 94 V 7.55 3.78 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 0.82 0.00 0.00 0.94 0.00 0.00 95 N 7.27 4.94 0.00 2.70 2.79 0.00 0.00 6.96 7.53 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 96 G 7.66 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 97 Q 7.99 4.19 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 98 L 8.24 4.13 0.00 1.66 1.46 0.92 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 99 I 8.22 4.41 1.88 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 1.39 1.21 0.91 0.00 0.00 100 E 8.45 4.67 0.00 2.02 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 2.27 2.26 0.00 101 P 0.00 4.63 0.00 2.02 2.04 0.00 3.40 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.80 0.00 102 L 8.21 3.86 0.00 0.27 0.91 0.70 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.56 4.88 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.55 0.00 0.00 0.00 0.00 0.00 1.58 2.08 0.00 104 I 8.44 4.99 1.80 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.95 0.78 0.00 0.00 105 F 9.15 5.06 0.00 3.13 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 0.00 106 P 0.00 4.97 0.00 2.00 2.06 0.00 3.78 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 2.05 2.11 0.00 107 R 9.15 4.69 0.00 1.95 1.82 0.00 3.13 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 108 A 8.84 4.21 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 * Residues marked with a * may have inaccurate shift predictions.