NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 D 4.6771 8.3649 119.5546 52.9725 41.9253 174.3813 2 K 4.5505 8.2656 118.8191 55.3348 34.3313 173.2612 3 A 4.7775 7.3183 120.6698 51.1527 22.5386 175.1357 4 T 4.5203 8.5224 108.9412 59.9007 72.8376 173.3008 5 I 4.3042 7.9976 122.5320 59.0767 38.1604 173.6836 6 P 4.2515 0.0000 0.0000 64.9232 31.3255 177.3011 7 S 4.5167 7.5696 110.2994 56.1908 65.1025 172.4652 8 E 4.1536 9.3066 129.0911 59.2117 29.3519 177.1206 9 S 4.8520 7.3064 111.6505 56.0580 64.8403 172.0797 10 P 4.8937 0.0000 0.0000 63.1900 32.2029 175.1279 11 F 5.1059 8.0834 115.4034 55.2690 42.2923 173.2277 12 A 4.4506 8.8828 120.4349 51.6775 18.9502 178.4601 13 A 3.9204 9.3208 125.7458 55.3849 18.6135 179.8701 14 A 4.1578 8.1318 116.9892 55.0755 18.5508 178.5484 15 E 4.1306 8.3442 115.0359 58.9029 29.7857 178.0559 16 V 3.6297 7.7105 118.9896 62.7934 31.8151 175.7371 17 A 4.3885 8.3400 130.0135 51.2016 19.5198 176.2863 18 D 4.4461 8.3246 119.2441 55.5677 41.3981 178.2196 19 G 3.9483 8.8980 111.0433 45.4556 0.0000 173.9444 20 A 3.9847 7.2312 122.1638 52.5793 18.9755 177.0899 21 I 3.9655 8.2220 122.9266 61.2779 38.2666 175.3288 22 V 4.7529 8.2029 126.2602 61.0836 34.9108 174.2796 23 V 4.3502 8.5320 127.8098 61.2824 33.5853 174.6303 24 D 5.2536 8.7372 127.7360 53.9935 43.1295 175.5497 25 I 5.3069 8.6887 119.9404 58.6905 40.9050 174.5483 26 A 4.7490 8.6743 126.8195 50.8062 22.9344 175.3748 27 K 3.8905 9.4486 115.2879 57.8628 29.6924 175.7491 28 M 3.2692 8.7194 113.9321 56.1345 30.2667 177.0254 29 K 4.6349 7.8805 116.8034 54.5718 35.7420 175.5059 30 Y 4.6310 8.2881 120.1554 57.8617 38.6648 175.9766 31 E 4.0994 9.1138 123.8899 58.3585 29.8727 176.6208 32 T 4.4697 7.7433 112.4581 59.3216 67.8768 171.4593 33 P 4.4192 0.0000 0.0000 64.8673 32.6109 175.6452 34 E 4.9518 7.8745 119.0998 54.5403 32.1952 174.1163 35 L 4.6627 9.1608 130.4593 53.9094 44.2326 174.5752 36 H 5.2469 8.7671 122.9030 54.3802 30.6188 174.2210 37 V 4.5743 8.6900 115.3840 60.1714 36.9628 173.9333 38 K 4.8665 9.1857 120.8677 54.2198 35.0695 176.6647 39 V 3.7232 8.3652 121.2039 65.2101 31.5526 176.5912 40 G 4.0151 9.3964 115.7578 45.1323 0.0000 173.2946 41 D 4.6633 7.9898 120.1844 54.4859 42.2396 175.4034 42 T 5.0309 8.3945 118.3215 62.2070 70.3905 174.1202 43 V 4.3633 9.1295 125.9602 61.3602 34.2717 174.3998 44 T 5.0702 8.2819 123.4064 61.5428 71.7891 173.2563 45 W 4.9636 9.5107 127.1578 56.3932 31.1157 175.5417 46 I 4.8901 9.0771 124.7999 59.3597 40.1662 174.2630 47 N 4.7832 9.2366 127.5006 53.7998 39.1376 175.4204 48 R 4.7494 8.9878 125.7857 56.4144 31.2720 176.0751 49 E 4.6905 8.2122 116.0767 53.7064 32.4828 177.0304 50 A 3.8901 8.5556 121.6639 55.2267 18.5548 178.2284 51 M 3.8589 8.0603 114.3003 55.7000 32.4075 174.1371 52 P 5.2172 0.0000 0.0000 62.7587 32.3774 175.3943 53 H 5.1038 8.5574 118.3015 54.4425 33.6775 172.0095 54 N 5.3771 8.4977 116.8770 51.5009 40.9143 173.1190 55 V 4.5001 7.9060 110.3385 59.9081 35.1262 174.6799 56 H 5.1624 8.9353 124.0986 54.6173 33.1661 171.6776 57 F 5.1120 9.6206 125.5789 55.8862 40.9397 176.4621 58 V 4.2967 8.5396 116.7336 60.4695 33.1194 175.4986 59 A 4.0980 8.5826 124.8207 54.4236 18.4979 177.6666 60 G 4.0933 8.8635 110.2576 45.6597 0.0000 175.5202 61 V 3.9090 7.6102 118.5766 65.5118 31.7912 176.8224 62 L 4.2600 7.8834 116.8562 53.5476 42.6560 176.2708 63 G 4.0681 7.1564 106.7198 45.6122 0.0000 173.3829 64 E 3.9026 8.8096 117.8893 59.1571 29.5675 177.9006 65 A 4.4807 7.7029 118.5027 50.7541 19.7459 177.3244 66 A 4.0739 8.6822 122.0243 52.8332 19.3851 177.2478 67 L 4.3596 9.3097 124.6932 53.6089 43.3151 175.2847 68 K 4.5719 8.4563 128.9756 54.3684 32.8781 175.9521 69 G 3.5440 8.6328 115.7234 44.7142 0.0000 170.3149 70 P 4.4507 0.0000 0.0000 62.3610 32.2011 176.1959 71 M 4.2581 8.4549 121.6671 56.0263 32.8290 175.4302 72 M 4.5383 9.4439 123.8041 53.8367 34.7157 176.3973 73 K 4.4899 9.0174 122.9907 54.5419 34.7167 176.0478 74 K 4.0753 8.5144 120.8309 57.8163 32.2730 175.5967 75 E 3.8504 9.4382 124.1197 57.5627 27.7856 173.9558 76 Q 5.1317 7.8250 116.6099 54.5108 32.1726 174.3204 77 A 5.0616 8.1583 120.8325 51.2158 23.4578 174.6335 78 Y 4.9894 8.4905 118.0208 56.9166 42.7014 173.7535 79 S 5.5704 8.4939 121.7051 56.9821 66.5346 173.3381 80 L 4.6306 8.9158 120.6844 53.5581 46.2813 175.3382 81 T 4.8275 8.5216 120.1934 61.9725 70.8787 173.4458 82 F 4.8399 9.0337 125.8931 56.3962 40.5283 176.4149 83 T 4.6021 8.7501 112.9776 61.4887 69.8073 174.1663 84 E 4.6399 8.1107 122.2542 54.1525 32.7997 174.1804 85 A 4.2653 8.9670 127.7920 51.7986 19.1716 177.3720 86 G 3.7452 7.3993 107.1201 46.7170 0.0000 170.5679 87 T 4.6814 7.4732 115.6471 61.6676 71.6392 173.5101 88 Y 5.0125 8.9955 123.9806 56.4877 41.0096 174.8047 89 D 5.3697 9.0913 124.5052 53.8435 42.6663 175.2968 90 Y 4.7305 8.0484 118.2760 56.0077 42.1119 173.0245 91 H 5.5796 8.6537 114.6022 53.7937 33.2029 170.9847 92 C 4.9741 8.4372 118.0261 58.1665 32.6500 174.0520 93 T 3.8616 9.3557 124.8563 66.3777 68.1494 174.0812 94 P 4.3771 0.0000 0.0000 64.9189 32.0947 176.1595 95 H 4.5772 8.0625 116.7174 53.2200 28.7483 172.1915 96 P 4.5379 0.0000 0.0000 64.4467 31.8319 178.0735 97 F 4.3099 7.8973 112.3272 58.7708 38.3309 174.6823 98 M 4.4989 7.8653 123.0559 54.1776 32.8274 175.4106 99 R 4.9239 8.7444 122.3388 54.3797 34.3152 174.8808 100 G 3.6497 7.9279 108.9164 44.3512 0.0000 171.1529 101 K 5.3954 8.8750 117.8700 55.1179 36.6667 175.3056 102 V 4.6715 9.0158 122.3950 61.3122 33.8444 174.3570 103 V 4.4980 8.9327 128.8235 61.3228 33.3239 174.3070 104 V 4.7422 8.5252 128.9772 61.1298 33.7927 175.3521 105 E 4.3845 8.9397 126.9412 56.4566 29.2991 175.9459 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 D 8.36 4.68 0.00 2.35 2.46 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 0.00 2 K 8.27 4.55 0.00 1.49 1.53 0.00 1.90 0.00 0.00 1.88 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.45 7.81 3 A 7.32 4.78 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 4 T 8.52 4.52 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 1.12 0.00 0.00 5 I 8.00 4.30 1.82 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 1.27 0.56 0.89 0.00 0.00 6 P 0.00 4.25 0.00 1.91 2.02 0.00 3.53 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 1.93 1.99 0.00 7 S 7.57 4.52 0.00 3.69 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 8 E 9.31 4.15 0.00 1.98 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 2.34 2.48 0.00 9 S 7.31 4.85 0.00 4.12 3.85 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 10 P 0.00 4.89 0.00 1.92 1.93 0.00 3.69 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 2.06 2.02 0.00 11 F 8.08 5.11 0.00 3.09 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 12 A 8.88 4.45 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 13 A 9.32 3.92 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 14 A 8.13 4.16 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 15 E 8.34 4.13 0.00 2.25 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 2.59 2.65 0.00 16 V 7.71 3.63 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 0.79 0.00 0.00 1.19 0.00 0.00 17 A 8.34 4.39 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 18 D 8.32 4.45 0.00 2.72 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 19 G 8.90 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.23 3.98 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 21 I 8.22 3.97 2.00 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 1.20 0.56 0.80 0.00 0.00 22 V 8.20 4.75 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 0.78 0.00 0.00 0.94 0.00 0.00 23 V 8.53 4.35 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 1.19 0.00 0.00 0.67 0.00 0.00 24 D 8.74 5.25 0.00 2.70 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 0.00 0.00 0.00 0.00 25 I 8.69 5.31 2.07 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 2.07 0.54 0.00 0.00 26 A 8.67 4.75 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 27 K 9.45 3.89 0.00 1.91 1.90 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.45 7.81 28 M 8.72 3.27 0.00 2.38 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.68 0.00 29 K 7.88 4.63 0.00 1.89 1.68 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.60 7.81 30 Y 8.29 4.63 0.00 3.09 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 31 E 9.11 4.10 0.00 2.05 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 2.42 2.38 0.00 32 T 7.74 4.47 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 1.25 0.00 0.00 33 P 0.00 4.42 0.00 2.14 2.13 0.00 3.65 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 34 E 7.87 4.95 0.00 2.05 1.83 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 2.19 2.21 0.00 35 L 9.16 4.66 0.00 1.78 1.49 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.77 5.25 0.00 3.05 3.20 0.00 5.72 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.69 4.57 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 0.63 0.00 0.00 0.82 0.00 0.00 38 K 9.19 4.87 0.00 1.69 1.71 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.47 7.81 39 V 8.37 3.72 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 0.83 0.00 0.00 1.01 0.00 0.00 40 G 9.40 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 0.00 0.00 0.00 41 D 7.99 4.66 0.00 2.82 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 0.00 0.00 0.00 0.00 42 T 8.39 5.03 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 1.23 0.00 0.00 43 V 9.13 4.36 1.74 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 -0.21 0.00 0.00 0.87 0.00 0.00 44 T 8.28 5.07 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 45 W 9.51 4.96 0.00 3.46 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 46 I 9.08 4.89 2.10 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.34 0.94 0.00 0.00 47 N 9.24 4.78 0.00 2.91 2.93 0.00 0.00 6.70 8.14 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 48 R 8.99 4.75 0.00 2.00 1.99 0.00 3.46 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 49 E 8.21 4.69 0.00 2.13 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 2.35 2.25 0.00 50 A 8.56 3.89 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 51 M 8.06 3.86 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 52 P 0.00 5.22 0.00 1.91 1.98 0.00 3.69 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 53 H 8.56 5.10 0.00 3.00 3.03 0.00 5.56 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.50 5.38 0.00 2.58 2.69 0.00 0.00 5.87 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 55 V 7.91 4.50 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 -0.46 0.00 0.00 0.22 0.00 0.00 56 H 8.94 5.16 0.00 2.99 2.94 0.00 5.58 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.62 5.11 0.00 3.03 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 58 V 8.54 4.30 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 0.84 0.00 0.00 0.99 0.00 0.00 59 A 8.58 4.10 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 60 G 8.86 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 61 V 7.61 3.91 2.39 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 1.24 0.00 0.00 1.16 0.00 0.00 62 L 7.88 4.26 0.00 1.54 1.34 -0.10 0.22 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 63 G 7.16 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 0.00 0.00 0.00 64 E 8.81 3.90 0.00 1.97 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 2.32 2.25 0.00 65 A 7.70 4.48 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 66 A 8.68 4.07 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 67 L 9.31 4.36 0.00 1.64 1.63 0.72 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.46 4.57 0.00 1.47 1.57 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.13 1.02 7.81 69 G 8.63 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 0.00 0.00 0.00 70 P 0.00 4.45 0.00 1.96 1.94 0.00 2.20 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 2.04 0.00 71 M 8.45 4.26 0.00 1.85 1.98 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 72 M 9.44 4.54 0.00 1.85 2.03 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 73 K 9.02 4.49 0.00 1.78 1.73 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.36 7.81 74 K 8.51 4.08 0.00 1.77 1.76 0.00 1.76 0.00 0.00 0.61 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 75 E 9.44 3.85 0.00 2.15 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 2.25 2.42 0.00 76 Q 7.83 5.13 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 77 A 8.16 5.06 0.87 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 78 Y 8.49 4.99 0.00 3.02 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 79 S 8.49 5.57 0.00 3.73 3.70 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 80 L 8.92 4.63 0.00 1.61 0.82 0.70 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.52 4.83 4.08 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 1.21 0.00 0.00 82 F 9.03 4.84 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 83 T 8.75 4.60 4.23 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 1.15 0.00 0.00 84 E 8.11 4.64 0.00 1.94 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 2.29 2.36 0.00 85 A 8.97 4.27 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 86 G 7.40 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 0.00 0.00 0.00 87 T 7.47 4.68 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 1.12 0.00 0.00 88 Y 9.00 5.01 0.00 3.19 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 89 D 9.09 5.37 0.00 2.58 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 90 Y 8.05 4.73 0.00 2.07 1.43 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 0.00 91 H 8.65 5.58 0.00 3.24 3.28 0.00 5.51 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.44 4.97 0.00 3.00 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 93 T 9.36 3.86 4.18 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 1.23 0.00 0.00 94 P 0.00 4.38 0.00 1.91 2.05 0.00 3.44 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.74 0.00 95 H 8.06 4.58 0.00 2.64 1.84 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.54 0.00 2.02 1.99 0.00 3.68 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 2.01 2.03 0.00 97 F 7.90 4.31 0.00 3.08 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 98 M 7.87 4.50 0.00 1.47 1.85 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.54 0.00 99 R 8.74 4.92 0.00 1.60 1.65 0.00 3.11 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.67 0.00 100 G 7.93 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 0.00 101 K 8.87 5.40 0.00 1.92 1.95 0.00 1.24 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.35 7.81 102 V 9.02 4.67 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 0.15 0.00 0.00 1.20 0.00 0.00 103 V 8.93 4.50 1.73 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 0.80 0.00 0.00 0.78 0.00 0.00 104 V 8.53 4.74 2.24 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 1.06 0.00 0.00 0.92 0.00 0.00 105 E 8.94 4.38 0.00 1.87 1.81 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 2.25 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.