NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 5.0187 8.4104 110.3365 61.7380 69.0329 171.3496 4 A 4.2184 7.5934 131.4124 53.5938 25.6242 176.3097 5 Y 4.4113 8.4398 112.0734 58.6303 38.7698 174.0874 6 D 4.7123 7.7451 122.0705 55.4122 42.5090 178.9315 7 V 3.6449 7.6711 119.0444 65.2103 32.7278 175.9678 8 I 4.3866 7.5307 120.1185 60.0044 37.8218 175.7746 9 L 4.8266 8.4504 125.0791 55.6706 44.6397 176.6339 10 A 4.6849 7.7881 116.5271 50.7412 22.2325 174.0991 11 P 5.0859 0.0000 0.0000 62.3130 32.6118 176.4728 12 V 3.8586 7.9741 123.3229 61.0684 32.2486 176.0502 13 L 4.5240 8.6957 126.7576 53.6264 41.3429 175.7396 14 S 4.3786 7.1001 115.3492 55.7325 65.3802 176.4901 15 E 3.7796 8.5755 122.2747 59.7943 28.8449 179.8844 16 K 3.8276 7.1670 118.2737 59.2194 32.4927 178.2219 17 A 4.1058 7.5962 121.0685 55.5762 18.1748 179.0474 18 Y 3.4521 7.3604 114.0279 61.7304 37.7603 179.1383 19 A 4.0126 8.4394 120.4356 55.1609 18.8499 179.5277 20 G 3.7917 8.7344 104.8508 47.5165 0.0000 175.9443 21 F 4.0871 9.4087 119.3834 61.5932 39.1877 177.6618 22 A 4.1070 7.2962 121.1961 54.5144 19.9593 176.3390 23 E 4.7393 7.8546 119.9391 56.3348 30.5025 175.6721 24 G 4.6797 9.0671 100.9733 46.4542 0.0000 172.8507 25 K 4.6367 8.0530 124.2027 53.7387 36.4332 171.1888 26 Y 4.7161 7.0342 115.9415 55.9876 41.9393 173.7739 27 T 4.3635 8.2536 111.8113 60.5209 70.6264 173.3949 28 F 5.2292 8.3931 124.0262 54.8137 43.1189 174.8596 29 W 4.3905 8.3361 120.7263 57.9547 29.8782 176.3657 30 V 4.6067 8.4623 126.0808 60.9914 33.4047 174.0781 31 H 4.5535 8.7183 121.2673 55.0064 30.0180 173.2328 32 P 4.2107 0.0000 0.0000 65.4516 31.7760 177.0925 33 K 4.3520 7.5517 116.6115 57.1427 35.0920 176.0323 34 A 3.9581 8.9136 121.4642 53.5474 16.5498 177.4782 35 T 3.7988 9.0184 113.4201 66.0676 67.5586 175.0955 36 K 4.7212 7.1988 118.5473 55.6757 32.2920 175.8863 37 T 3.9582 8.6920 120.7491 66.1634 68.6791 175.2538 38 E 4.5156 7.9650 121.2830 56.4617 29.1163 177.0992 39 I 4.1538 7.7451 111.1662 60.7322 37.7231 177.3122 40 K 4.0543 7.3401 122.2328 60.2540 31.6162 177.6319 41 N 4.4614 7.8181 115.6890 53.1254 37.3247 176.6091 42 A 3.8727 7.4671 123.4726 54.9951 19.3766 179.5183 43 V 3.4225 7.8073 117.3610 66.0209 31.6661 178.1309 44 E 4.0581 8.6088 118.0210 59.3328 29.3446 178.7456 45 T 4.3330 7.2793 108.7744 61.1086 69.6981 174.9330 46 A 4.6553 8.3546 122.8507 53.5841 23.9894 177.8465 47 F 5.1343 7.7933 112.8884 57.6590 40.5832 176.5300 48 K 4.0650 8.0012 115.4806 57.8901 28.4601 173.0829 49 V 4.5713 7.2187 114.9260 59.8344 36.2986 175.8607 50 K 4.5418 8.0767 117.9170 54.1042 31.7168 173.7241 51 V 3.8045 9.1211 120.5480 62.9504 31.9743 175.7969 52 V 4.0278 8.4108 126.8845 64.2448 32.4687 175.6153 53 K 4.6565 7.5387 119.1409 54.9380 35.6233 174.7038 54 V 4.9168 8.3997 125.7487 61.1982 34.1677 174.1461 55 N 5.3389 8.9649 124.2496 51.7767 42.1659 173.5640 56 T 5.0034 8.2535 110.3372 60.3950 71.9013 172.9917 57 L 4.8935 9.3089 123.1844 53.6376 46.4065 175.4670 58 H 4.9431 8.9056 118.8602 54.2192 30.6531 176.7761 59 V 4.5110 8.9526 115.4947 60.4099 33.8649 180.4105 60 R 3.1825 9.2219 123.1080 58.2089 29.3459 175.5945 61 G 3.9608 7.4294 106.1545 46.4740 0.0000 172.2992 62 K 4.8358 8.7099 117.2900 54.5196 32.5586 176.3560 63 K 4.4194 8.0837 125.0479 55.5131 34.5087 175.3090 64 K 4.6513 7.9331 120.6657 55.3052 34.9383 175.5267 65 R 4.1068 8.5650 120.2459 57.1843 30.9309 173.2320 66 L 3.9583 9.3992 125.8155 54.4511 41.4919 173.7866 67 G 4.1841 6.8000 111.7473 45.0850 0.0000 176.9776 68 R 4.8891 9.1171 120.4999 57.3275 32.5775 169.4969 69 Y 3.3329 8.2615 122.0478 58.3597 34.3659 168.4017 70 L 4.4985 8.7531 127.6425 53.6677 45.9946 179.5337 71 G 3.3758 8.9251 108.6721 45.3761 0.0000 173.9292 72 K 4.1615 8.0735 129.2657 55.4206 35.8912 176.3616 73 R 5.5719 7.5683 129.0699 55.4837 30.1108 170.0879 74 P 4.4789 0.0000 0.0000 63.0847 30.6355 173.4782 75 D 4.3189 7.4909 123.2588 52.5336 42.5863 175.6360 76 R 5.0472 9.6007 122.8646 53.9671 32.8462 175.4377 77 K 4.4902 8.0761 118.1119 56.5677 37.0895 172.4377 78 K 4.7374 7.6893 117.5864 54.8439 34.2498 176.2162 79 A 4.5090 8.5155 126.9529 52.1310 18.7585 176.9101 80 I 3.9463 8.8160 122.1501 60.5578 39.6204 172.8987 81 V 3.8136 7.8546 127.5265 61.7793 32.4291 170.9598 82 Q 3.9730 8.4805 128.1049 55.8924 29.3390 176.4769 83 V 3.4830 8.0885 113.7239 65.4805 31.3588 174.7259 84 A 4.1083 9.0919 127.8736 52.0054 16.5872 177.7556 85 P 4.2008 0.0000 0.0000 64.2445 31.6222 174.5827 86 G 4.2277 7.8760 110.4006 45.0623 0.0000 172.9127 87 Q 4.5764 8.1262 122.6707 54.1428 31.9815 174.1161 88 K 3.4687 9.5866 118.5022 58.1685 31.3515 176.5388 89 I 3.4274 8.5856 121.4075 61.4283 35.2703 173.8164 90 E 4.2892 7.3100 121.9135 57.9797 29.6161 177.4163 91 A 4.0384 8.1744 125.9618 53.7798 17.9660 177.4936 92 L 4.4271 7.9095 116.9726 54.2556 43.0066 176.3529 93 E 3.6394 9.5297 121.9880 57.0694 28.2570 175.7348 94 G 3.8304 7.4776 112.3919 46.4574 0.0000 175.3249 *95 L 4.1219 7.7658 122.9372 53.9134 41.6291 178.2753 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 T 8.41 5.02 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 1.20 0.00 0.00 4 A 7.59 4.22 0.88 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 5 Y 8.44 4.41 0.00 2.95 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 6 D 7.75 4.71 0.00 2.60 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 7 V 7.67 3.64 1.97 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 0.94 0.00 0.00 0.85 0.00 0.00 8 I 7.53 4.39 1.66 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.47 0.47 0.00 0.00 9 L 8.45 4.83 0.00 1.94 1.80 1.11 0.62 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 10 A 7.79 4.68 1.57 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 0.00 0.00 11 P 0.00 5.09 0.00 2.16 2.26 0.00 3.93 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 12 V 7.97 3.86 0.89 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 0.42 0.00 0.00 0.65 0.00 0.00 13 L 8.70 4.52 0.00 1.79 1.88 1.06 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.10 4.38 0.00 3.81 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 15 E 8.58 3.78 0.00 2.01 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 2.42 2.52 0.00 16 K 7.17 3.83 0.00 1.63 1.73 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.41 7.81 17 A 7.60 4.11 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 18 Y 7.36 3.45 0.00 2.92 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 19 A 8.44 4.01 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 20 G 8.73 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 21 F 9.41 4.09 0.00 2.84 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 22 A 7.30 4.11 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 23 E 7.85 4.74 0.00 2.07 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 2.19 2.26 0.00 24 G 9.07 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.05 4.64 0.00 1.82 1.99 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.37 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.12 0.65 7.81 26 Y 7.03 4.72 0.00 2.60 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 27 T 8.25 4.36 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 1.05 0.00 0.00 28 F 8.39 5.23 0.00 2.90 3.33 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 29 W 8.34 4.39 0.00 3.54 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 30 V 8.46 4.61 2.21 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 0.92 0.00 0.00 1.09 0.00 0.00 31 H 8.72 4.55 0.00 3.19 3.31 0.00 6.02 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.21 0.00 2.00 2.10 0.00 3.79 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 1.76 1.94 0.00 33 K 7.55 4.35 0.00 1.93 2.00 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.44 7.81 34 A 8.91 3.96 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 35 T 9.02 3.80 4.66 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 1.29 0.00 0.00 36 K 7.20 4.72 0.00 2.06 2.05 0.00 1.52 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.67 7.81 37 T 8.69 3.96 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 38 E 7.97 4.52 0.00 1.93 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 2.30 2.23 0.00 39 I 7.75 4.15 1.83 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.14 1.06 0.00 0.00 40 K 7.34 4.05 0.00 2.03 2.11 0.00 1.30 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.42 7.81 41 N 7.82 4.46 0.00 2.96 3.06 0.00 0.00 5.89 7.46 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 42 A 7.47 3.87 1.21 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 0.00 0.00 43 V 7.81 3.42 2.26 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 1.14 0.00 0.00 0.87 0.00 0.00 44 E 8.61 4.06 0.00 2.34 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 0.00 2.35 2.28 0.00 45 T 7.28 4.33 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 1.16 0.00 0.00 46 A 8.35 4.66 0.70 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 0.00 0.00 47 F 7.79 5.13 0.00 3.16 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 48 K 8.00 4.07 0.00 1.89 2.04 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.51 7.81 49 V 7.22 4.57 2.12 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 0.74 0.00 0.00 1.10 0.00 0.00 50 K 8.08 4.54 0.00 1.73 1.63 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.38 7.81 51 V 9.12 3.80 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 0.77 0.00 0.00 1.00 0.00 0.00 52 V 8.41 4.03 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 0.83 0.00 0.00 1.01 0.00 0.00 53 K 7.54 4.66 0.00 1.82 1.55 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.43 7.81 54 V 8.40 4.92 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 0.88 0.00 0.00 0.97 0.00 0.00 55 N 8.96 5.34 0.00 2.67 2.64 0.00 0.00 6.25 6.35 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 56 T 8.25 5.00 4.41 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 1.21 0.00 0.00 57 L 9.31 4.89 0.00 1.60 1.57 0.99 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.91 4.94 0.00 3.08 3.27 0.00 5.64 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 59 V 8.95 4.51 2.21 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 0.91 0.00 0.00 1.22 0.00 0.00 60 R 9.22 3.18 0.00 1.99 2.07 0.00 3.16 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 61 G 7.43 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 62 K 8.71 4.84 0.00 1.50 1.58 0.00 1.56 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.88 1.23 7.81 63 K 8.08 4.42 0.00 1.71 1.74 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.42 7.81 64 K 7.93 4.65 0.00 1.63 1.59 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.41 7.81 65 R 8.56 4.11 0.00 1.74 1.79 0.00 3.50 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 66 L 9.40 3.96 0.00 1.84 1.83 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 67 G 6.80 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 0.00 0.00 0.00 0.00 68 R 9.12 4.89 0.00 1.75 1.91 0.00 2.56 0.00 0.00 3.81 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.23 0.00 69 Y 8.26 3.33 0.00 3.14 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 70 L 8.75 4.50 0.00 1.53 1.94 0.90 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.93 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 4.16 0.00 1.83 1.78 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.09 1.29 7.81 73 R 7.57 5.57 0.00 2.22 2.32 0.00 3.07 0.00 0.00 3.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 74 P 0.00 4.48 0.00 2.42 2.15 0.00 3.67 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 75 D 7.49 4.32 0.00 2.72 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 76 R 9.60 5.05 0.00 1.61 2.47 0.00 2.76 0.00 0.00 2.45 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 77 K 8.08 4.49 0.00 1.78 1.96 0.00 1.53 0.00 0.00 2.36 0.00 0.00 2.78 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.08 0.95 7.81 78 K 7.69 4.74 0.00 1.76 1.84 0.00 1.48 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 1.18 7.81 79 A 8.52 4.51 1.28 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 0.00 0.00 0.00 80 I 8.82 3.95 1.85 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 1.08 1.75 0.93 0.00 0.00 81 V 7.85 3.81 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 0.74 0.00 0.00 0.90 0.00 0.00 82 Q 8.48 3.97 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 83 V 8.09 3.48 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 0.74 0.00 0.00 0.93 0.00 0.00 84 A 9.09 4.11 1.47 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 0.00 0.00 85 P 0.00 4.20 0.00 2.19 2.14 0.00 3.96 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 2.19 2.12 0.00 86 G 7.88 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 0.00 0.00 0.00 0.00 87 Q 8.13 4.58 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 5.81 0.00 0.00 0.00 0.00 0.00 2.47 2.32 0.00 88 K 9.59 3.47 0.00 1.93 1.75 0.00 1.63 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.54 7.81 89 I 8.59 3.43 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.30 0.99 0.00 0.00 90 E 7.31 4.29 0.00 2.11 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 2.48 2.65 0.00 91 A 8.17 4.04 1.28 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 0.00 0.00 0.00 92 L 7.91 4.43 0.00 1.81 1.57 0.99 0.55 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 93 E 9.53 3.64 0.00 1.95 1.77 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 2.06 1.89 0.00 94 G 7.48 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 *95 L 7.77 4.12 0.00 1.42 1.50 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.