NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.3705 8.4293 120.2271 56.7367 30.9181 174.8170 6 D 4.7864 8.2826 116.9045 52.4843 39.8820 174.9668 7 K 4.1704 8.0653 120.5028 57.1348 34.0612 176.6630 8 Y 4.0719 8.5404 126.5513 57.6508 39.2554 175.1744 9 D 4.4106 7.7040 126.7177 53.2622 40.5326 176.0406 10 F 4.4056 8.4720 127.7479 58.7518 39.6014 176.6899 11 R 3.8686 8.2243 117.7995 60.0376 29.7958 178.6425 12 A 3.8124 7.6273 120.0003 54.8766 18.4355 179.2179 13 L 2.4400 7.0500 118.4139 57.5650 42.0632 179.2642 14 G 3.4828 7.1739 107.2749 47.0419 0.0000 175.4434 15 L 3.8778 7.8406 122.7183 57.7465 42.1131 178.8266 16 A 3.9389 7.8294 120.8377 55.1782 18.2337 179.7224 17 I 3.5935 7.7435 118.4933 64.3341 37.1815 178.5874 18 K 4.1782 7.9009 121.8046 58.8978 32.0275 178.6661 19 E 3.9234 8.4286 118.9186 59.4174 29.4354 179.2185 20 A 3.9638 8.0479 120.6714 55.0581 18.4604 179.5782 21 R 3.8057 8.0349 117.1438 59.5634 30.1177 178.9673 22 K 3.9556 8.1065 118.1604 59.4118 31.8775 179.1843 23 K 3.8684 8.3873 118.8827 59.3495 32.0586 177.7037 24 Q 4.4413 8.0085 115.6286 55.1106 28.7894 176.1339 25 G 3.8832 7.9292 107.9023 46.2114 0.0000 173.5372 26 L 4.7558 7.7145 119.0393 53.0899 43.3932 177.4425 27 T 4.3771 8.8164 113.9939 60.8820 71.4128 176.3804 28 R 3.9474 8.3581 120.0261 59.3031 29.9891 179.1574 29 E 3.9701 8.1454 118.0305 59.4188 29.2986 179.0769 30 Q 3.9779 8.0394 117.0768 59.1144 28.9103 178.8904 31 V 3.8118 7.5927 117.8232 65.7907 31.7271 177.9110 32 G 3.9015 8.4566 105.5840 47.0868 0.0000 176.9669 33 A 4.2817 7.7236 121.3607 51.8102 18.7868 178.1505 *35 I 3.8987 7.5937 111.9329 61.3116 39.6662 174.6745 36 E 3.7286 8.4900 118.7491 57.8592 26.3112 173.2802 37 I 4.7539 7.0484 111.0374 58.1810 41.6611 174.1756 38 D 4.5971 8.6237 120.2476 53.2582 42.4239 174.7451 39 P 4.2632 0.0000 0.0000 66.2714 31.1746 178.7997 40 R 3.9973 8.5526 116.5482 59.3225 29.7849 178.5796 41 Y 4.3094 7.9159 119.0358 60.5884 38.8709 177.2767 42 L 3.7836 8.0837 121.3266 58.4452 42.0485 178.8813 43 T 3.8804 7.8781 115.5604 67.0897 68.4626 176.1947 44 N 4.4806 7.9847 117.7718 56.0454 38.2343 177.7687 45 I 4.0252 7.5925 122.7991 63.9570 36.6690 178.3390 46 E 4.1231 8.7490 119.9092 58.7179 29.1208 178.3350 47 N 4.8582 8.5155 114.6884 53.1287 40.1052 175.6461 48 K 4.4683 7.8976 117.0418 55.0153 33.7593 177.0019 49 G 4.4351 8.5320 105.7888 46.1619 0.0000 173.7474 50 Q 3.9931 7.4835 120.8312 56.2916 29.4376 175.4428 51 H 4.0195 8.6022 122.7874 54.4719 29.4343 173.6888 52 P 4.7601 0.0000 0.0000 60.8755 32.4716 176.3961 53 S 4.3526 8.4641 113.8880 58.1647 64.6556 174.7678 54 L 3.9718 8.5294 123.7661 58.4723 41.6682 178.9357 55 Q 4.0264 8.0797 118.7764 59.4381 29.1111 178.4225 56 V 3.6208 7.9773 119.1910 65.6207 31.5104 177.6159 57 L 3.9507 8.3109 120.6003 58.3286 41.9248 178.1269 58 Y 4.1651 8.2514 119.4771 61.0505 38.6701 177.9630 59 D 3.9709 8.2745 119.5398 57.1792 40.8994 178.9441 60 L 3.8887 7.9429 119.3082 58.0569 41.7487 180.1129 61 V 3.6340 7.8227 112.4911 64.1022 31.1823 178.8701 62 S 4.0445 7.7605 113.8183 61.0731 62.9879 175.9891 63 L 3.9926 7.7654 123.2374 57.2777 41.9802 178.0686 64 L 4.3417 7.8032 115.8813 53.2936 43.1995 175.3623 65 N 4.0709 8.0495 116.0631 54.5185 37.2242 174.0373 66 V 4.2620 7.3828 116.5969 60.8693 33.5760 174.5962 67 S 4.2578 8.5813 122.7722 58.1050 62.8537 174.6182 68 V 3.7013 8.3550 127.2140 65.7705 31.3331 177.4714 69 D 4.3345 8.0192 118.2981 57.4454 40.4075 177.9955 70 E 3.6497 7.7997 118.6827 58.8816 29.5270 178.1510 71 F 4.7357 8.0293 114.4370 57.5270 40.0038 176.3501 72 F 4.8776 8.2058 116.1548 57.9463 40.2331 175.8612 73 L 4.8205 7.8398 118.9437 51.7075 43.7878 174.5409 74 P 4.1757 0.0000 0.0000 62.6249 31.6686 176.4041 75 A 3.9473 8.5004 126.0313 52.9841 18.9435 176.4025 76 S 4.5416 8.0094 115.2898 57.5065 65.4336 175.6349 77 S 4.2971 8.5061 114.1245 60.0223 62.9436 174.5731 78 Q 4.1575 8.0891 121.4182 56.3952 29.0920 174.9776 79 V 4.1467 7.3352 117.0677 61.6959 32.7373 175.2717 80 K 4.2645 8.4143 127.8607 54.7629 31.3913 177.1611 81 S 4.3115 8.1906 119.5728 58.2303 64.9148 174.8198 82 T 3.8185 9.0172 119.8741 67.0427 68.0867 176.7552 83 K 3.9355 7.8978 120.6766 59.3741 32.2651 178.6557 84 R 3.8273 8.0035 119.0186 59.4276 29.9784 178.6032 85 R 3.8768 8.1572 117.9529 59.4988 30.1318 179.0922 86 Q 3.9542 8.1132 117.6676 58.6649 28.6630 178.4195 87 L 3.8624 8.0921 121.5991 58.3805 41.8519 178.8871 88 E 3.8636 8.3361 118.5397 59.4814 29.1460 179.0002 89 N 4.5303 7.8653 116.7082 55.7936 38.7016 177.2366 90 K 4.0617 7.8248 118.7625 58.6363 32.3482 178.4300 91 I 2.7883 7.1386 111.0321 60.2518 37.7339 176.8537 92 D 4.3779 7.3859 122.4734 57.7016 40.5031 177.8492 93 N 4.9615 7.8028 112.3935 52.9729 38.9583 175.2310 94 F 4.5373 8.1945 118.7941 57.5688 39.6148 176.1303 95 T 4.3255 8.9265 116.2955 61.2412 71.0752 175.6056 96 D 4.3878 8.5187 119.7162 57.3391 40.6691 178.8010 97 A 4.0524 7.9426 120.9361 55.0470 18.1685 179.2563 98 D 4.1780 7.6776 116.2397 57.6144 40.9639 178.7289 99 L 4.2686 7.6952 118.1039 57.8897 41.8856 179.7317 100 V 3.8608 8.2313 112.9541 64.1522 31.3867 178.7731 101 I 3.5796 7.3417 115.7231 62.3765 36.6737 177.2423 *103 E 4.2097 8.0679 122.9133 56.3227 31.4209 177.6668 104 S 4.1298 8.1607 113.0130 61.5201 62.2458 176.6072 105 V 3.6798 7.9033 121.4506 64.4563 31.2486 178.2712 106 A 3.9676 7.9627 121.1258 55.1345 18.2304 179.1368 107 D 4.4161 8.3585 117.5904 57.4881 40.8375 179.2673 108 G 3.6538 8.2265 106.2681 47.7341 0.0000 175.8895 109 I 3.7301 7.8303 121.5616 64.1903 37.4396 178.2525 110 V 3.6969 7.7850 119.0346 66.2135 31.4036 178.2088 111 K 3.9680 8.5188 118.4307 59.4594 31.9033 179.0926 112 S 4.1179 8.3877 113.8829 61.6216 61.9575 176.5677 113 K 4.0859 7.9083 119.9778 58.9209 31.8631 177.8159 114 E 4.2118 7.8803 116.2921 57.0074 30.0137 176.7274 115 V 3.9250 7.4364 123.9040 62.8209 31.5136 175.0991 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 5 E 8.43 4.37 0.00 1.98 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 2.21 2.25 0.00 6 D 8.28 4.79 0.00 2.84 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 7 K 8.07 4.17 0.00 1.75 1.76 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.50 1.43 7.81 8 Y 8.54 4.07 0.00 2.91 2.91 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 9 D 7.70 4.41 0.00 2.53 2.34 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 10 F 8.47 4.41 0.00 3.30 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 11 R 8.22 3.87 0.00 2.01 1.92 0.00 3.17 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 12 A 7.63 3.81 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 L 7.05 2.44 0.00 1.08 0.86 0.56 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.17 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 15 L 7.84 3.88 0.00 1.74 1.74 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.83 3.94 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 17 I 7.74 3.59 1.94 0.00 0.00 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 1.35 0.66 0.88 0.00 0.00 18 K 7.90 4.18 0.00 1.80 1.91 0.00 1.67 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.32 7.81 19 E 8.43 3.92 0.00 2.14 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 2.58 2.47 0.00 20 A 8.05 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 21 R 8.03 3.81 0.00 1.92 2.08 0.00 3.23 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 22 K 8.11 3.96 0.00 1.96 1.83 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.51 7.81 23 K 8.39 3.87 0.00 1.75 2.04 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.49 7.81 24 Q 8.01 4.44 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.19 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 25 G 7.93 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 26 L 7.71 4.76 0.00 1.81 1.58 0.91 0.58 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 27 T 8.82 4.38 4.48 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 1.21 0.00 0.00 28 R 8.36 3.95 0.00 1.88 2.02 0.00 3.13 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 29 E 8.15 3.97 0.00 2.05 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 2.40 2.47 0.00 30 Q 8.04 3.98 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 31 V 7.59 3.81 2.18 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 0.78 0.00 0.00 0.91 0.00 0.00 32 G 8.46 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 33 A 7.72 4.28 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 *35 I 7.59 3.90 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.65 0.87 0.00 0.00 36 E 8.49 3.73 0.00 2.18 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 0.00 2.24 2.40 0.00 37 I 7.05 4.75 2.06 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.99 1.01 0.00 0.00 38 D 8.62 4.60 0.00 2.79 2.69 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 39 P 0.00 4.26 0.00 2.21 2.13 0.00 3.69 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 40 R 8.55 4.00 0.00 2.03 2.02 0.00 3.14 0.00 0.00 3.43 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 41 Y 7.92 4.31 0.00 2.92 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 42 L 8.08 3.78 0.00 1.75 1.81 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.88 3.88 4.44 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 1.23 0.00 0.00 44 N 7.98 4.48 0.00 2.84 2.93 0.00 0.00 7.08 7.23 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 45 I 7.59 4.03 1.90 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.98 1.02 0.00 0.00 46 E 8.75 4.12 0.00 2.03 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 2.43 2.44 0.00 47 N 8.52 4.86 0.00 2.80 2.85 0.00 0.00 6.83 7.16 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 48 K 7.90 4.47 0.00 1.93 1.78 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.65 7.81 49 G 8.53 4.44 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 0.00 50 Q 7.48 3.99 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 51 H 8.60 4.02 0.00 3.09 3.11 0.00 5.77 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.76 0.00 2.08 1.76 0.00 2.35 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.72 0.00 53 S 8.46 4.35 0.00 4.12 4.11 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 54 L 8.53 3.97 0.00 1.77 1.76 0.95 0.71 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 55 Q 8.08 4.03 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 56 V 7.98 3.62 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 0.79 0.00 0.00 1.08 0.00 0.00 57 L 8.31 3.95 0.00 1.84 1.90 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.25 4.17 0.00 3.11 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 59 D 8.27 3.97 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 60 L 7.94 3.89 0.00 1.66 1.67 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.82 3.63 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 0.91 0.00 0.00 0.97 0.00 0.00 62 S 7.76 4.04 0.00 3.77 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 63 L 7.77 3.99 0.00 1.63 1.86 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.80 4.34 0.00 1.70 1.65 0.92 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 65 N 8.05 4.07 0.00 2.82 2.86 0.00 0.00 6.96 6.99 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 66 V 7.38 4.26 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 0.87 0.00 0.00 0.91 0.00 0.00 67 S 8.58 4.26 0.00 3.95 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 68 V 8.35 3.70 1.84 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 -0.13 0.00 0.00 0.76 0.00 0.00 69 D 8.02 4.33 0.00 2.68 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 70 E 7.80 3.65 0.00 1.71 1.64 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 1.47 1.92 0.00 71 F 8.03 4.74 0.00 3.14 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.21 4.88 0.00 2.89 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 73 L 7.84 4.82 0.00 1.63 1.59 0.95 1.07 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 74 P 0.00 4.18 0.00 2.04 2.02 0.00 3.72 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 2.05 2.12 0.00 75 A 8.50 3.95 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 76 S 8.01 4.54 0.00 3.96 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 77 S 8.51 4.30 0.00 3.99 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 78 Q 8.09 4.16 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 79 V 7.34 4.15 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 0.78 0.00 0.00 0.91 0.00 0.00 80 K 8.41 4.26 0.00 1.75 1.74 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.39 7.81 81 S 8.19 4.31 0.00 4.22 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 82 T 9.02 3.82 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 1.28 0.00 0.00 83 K 7.90 3.94 0.00 1.84 1.77 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.53 7.81 84 R 8.00 3.83 0.00 1.94 2.13 0.00 3.17 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 85 R 8.16 3.88 0.00 2.01 1.94 0.00 3.16 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 86 Q 8.11 3.95 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 87 L 8.09 3.86 0.00 1.69 1.89 0.82 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.34 3.86 0.00 2.11 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 2.27 2.40 0.00 89 N 7.87 4.53 0.00 2.83 2.85 0.00 0.00 6.98 7.22 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 90 K 7.82 4.06 0.00 1.76 1.69 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.40 7.81 91 I 7.14 2.79 1.11 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 1.45 0.41 0.18 0.00 0.00 92 D 7.39 4.38 0.00 2.84 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 93 N 7.80 4.96 0.00 2.80 2.93 0.00 0.00 6.92 7.45 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 94 F 8.19 4.54 0.00 3.06 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 95 T 8.93 4.33 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 1.22 0.00 0.00 96 D 8.52 4.39 0.00 2.72 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 97 A 7.94 4.05 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 98 D 7.68 4.18 0.00 2.77 2.22 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 99 L 7.70 4.27 0.00 1.85 1.78 1.08 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.23 3.86 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 0.98 0.00 0.00 1.01 0.00 0.00 101 I 7.34 3.58 2.06 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.91 0.92 0.00 0.00 *103 E 8.07 4.21 0.00 2.10 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 0.00 2.28 2.31 0.00 104 S 8.16 4.13 0.00 4.03 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 0.00 105 V 7.90 3.68 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 0.79 0.00 0.00 0.94 0.00 0.00 106 A 7.96 3.97 1.39 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 0.00 0.00 107 D 8.36 4.42 0.00 2.91 2.73 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 0.00 108 G 8.23 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 0.00 109 I 7.83 3.73 2.02 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 1.41 0.69 0.91 0.00 0.00 110 V 7.79 3.70 2.23 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 1.03 0.00 0.00 0.98 0.00 0.00 111 K 8.52 3.97 0.00 1.81 1.85 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.58 7.81 112 S 8.39 4.12 0.00 3.89 4.04 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 0.00 113 K 7.91 4.09 0.00 1.96 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.71 7.81 114 E 7.88 4.21 0.00 2.09 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 0.00 2.32 2.24 0.00 115 V 7.44 3.93 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 0.73 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.