NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 5.1040 0.0000 0.0000 62.6019 33.9060 174.5474 *3 C 4.7239 8.2461 120.4705 59.2936 32.9886 171.9802 4 E 4.9842 8.9420 124.1069 54.3960 32.4056 174.3323 5 L 4.7769 9.1361 127.0083 53.7332 43.9074 174.9092 6 I 4.9622 8.9819 128.0098 59.8310 39.8644 174.6945 7 T 5.0938 8.6377 120.6351 60.7072 71.1180 173.1442 8 N 5.0189 8.6140 124.4122 53.0429 38.2970 174.5520 9 I 4.3462 7.8952 121.4028 60.3908 38.1149 175.1536 10 S 4.2804 8.8873 120.2997 56.3185 62.9963 173.0573 11 I 4.6287 7.8252 119.7444 57.3790 40.6965 173.7634 12 P 4.4144 0.0000 0.0000 62.5501 33.1076 177.4894 13 D 4.3858 8.5807 119.9759 57.5702 40.7873 178.8985 14 D 4.3025 7.9654 119.3578 56.2889 39.4526 178.4303 15 K 3.9219 7.9438 120.3910 58.8334 32.2102 178.4879 16 A 3.6305 7.9680 121.3076 55.2149 18.2145 179.5448 17 Q 3.9187 8.2508 116.7137 59.2881 28.6757 179.0290 18 N 4.3161 8.1171 117.3981 56.4065 38.5452 177.6638 19 T 3.5645 8.0112 117.3141 66.6351 68.4879 176.7490 20 L 3.9543 7.9952 120.9646 57.7346 41.5930 179.5693 21 S 4.0423 8.2636 113.2848 61.3881 62.2660 176.0964 22 E 3.9524 8.4230 121.6011 59.4357 29.1284 179.3948 23 I 3.6612 7.8318 119.8445 64.3739 37.1521 178.2209 24 E 3.9384 8.3974 119.6420 59.6968 29.2666 179.2934 25 D 4.3440 8.2123 118.6111 57.0305 40.7676 178.5504 26 A 3.9710 8.2110 121.5782 55.2678 18.3115 179.7394 27 I 3.6635 7.9452 118.2888 64.5670 37.2150 178.8303 28 S 4.5259 8.0799 117.2110 61.1018 62.4893 176.1691 29 N 4.2670 8.4708 118.4432 57.0076 38.7783 176.6506 30 I 3.8805 7.8863 120.1084 63.8988 37.6848 177.3707 31 L 4.3348 8.5351 119.6647 54.4285 41.7956 176.9000 32 G 4.1562 7.7684 104.8495 46.4685 0.0000 173.2002 33 K 4.6754 7.4787 115.5244 53.6807 35.7334 174.0614 34 P 4.5609 0.0000 0.0000 62.9757 32.1431 177.5678 35 V 3.8368 7.5520 113.9887 59.7478 28.3457 174.4886 36 A 3.7879 7.8302 123.7040 53.6841 18.6560 177.6694 37 Y 3.5761 8.1576 119.7061 59.2992 35.0765 169.7162 38 I 4.0861 7.0276 118.0460 60.9673 38.8115 174.7451 39 M 4.8150 8.6459 126.6047 53.9857 33.5433 175.4953 40 S 5.4905 8.2632 115.3948 56.2680 66.9889 172.2560 41 N 4.8416 8.3509 116.5354 52.8886 42.4539 172.3476 42 Y 5.0927 8.6477 124.9802 56.1647 41.5334 173.8860 43 D 4.6739 9.0719 128.8569 52.2979 42.5687 174.3084 44 Y 4.3368 7.8755 127.4996 57.8053 39.5169 175.2171 45 Q 4.2676 8.9241 127.6380 53.1452 29.8383 176.4030 46 K 3.6407 7.8192 123.4297 59.2855 32.7506 178.1496 47 N 4.6442 7.7647 114.0930 52.6932 38.8742 174.8089 48 L 4.0764 7.6615 121.7116 55.2088 42.6384 176.3635 49 R 4.9229 8.2970 123.5783 54.4383 33.5792 174.8763 50 F 4.5278 8.3036 121.6022 57.8619 42.2021 174.8303 51 S 2.9583 8.7752 122.6716 59.5710 59.8746 172.5313 52 G 3.8154 8.2950 105.3975 45.7785 0.0000 173.9239 53 S 4.5809 7.6813 113.3778 56.3499 65.1818 173.5640 54 N 4.9771 8.6456 124.0730 53.4617 38.7261 174.7228 55 E 4.2188 7.9972 116.3556 55.2626 30.0923 176.8892 56 G 4.0069 8.4853 108.5406 46.6522 0.0000 172.2826 57 Y 5.1975 9.4330 124.6657 56.6485 43.1739 173.1198 58 C 4.7254 8.5033 122.8370 57.7964 32.2084 172.5039 59 F 5.2014 9.0260 126.8090 56.3350 41.4156 174.1183 60 V 4.3181 8.3945 126.5480 60.9237 33.7698 173.9418 61 R 4.4442 8.3627 129.0135 54.3486 32.3577 174.2621 62 L 4.7955 8.4894 127.2373 53.3040 44.3022 175.5669 63 T 4.8720 8.2276 120.5595 62.0021 71.6204 174.7132 64 S 3.9470 8.9130 124.2435 59.6367 61.0871 172.8923 65 I 4.3288 7.8654 119.9817 59.6938 38.1887 175.8126 66 G 4.1833 8.6581 114.5590 43.3840 0.0000 172.2003 67 G 4.1444 8.5409 111.3063 43.3433 0.0000 172.4155 68 I 4.4828 8.2054 124.2708 59.2359 39.4846 174.5826 69 N 5.0301 8.0067 119.7103 50.6895 40.4915 175.2692 70 R 4.2133 8.6576 118.1751 59.6510 30.1224 177.9830 71 S 4.4518 7.9043 110.3126 58.9545 63.6018 173.8794 72 N 4.6981 9.3101 118.5582 55.2380 39.9803 176.2003 73 N 4.0688 7.5533 117.7744 55.8669 37.2004 176.7401 74 S 3.9721 7.9147 114.9200 60.9995 62.4719 175.7932 75 L 3.9547 7.9073 121.1869 57.7970 41.3568 179.1261 76 L 3.9390 7.4519 118.6662 58.2261 42.1225 178.6844 77 A 4.0481 8.9254 121.3957 55.2649 18.2451 179.1155 78 D 4.2513 8.4205 116.6150 57.4536 41.3831 178.4070 79 K 3.9476 8.0679 120.1045 59.6265 32.0938 178.8456 80 I 3.7214 8.0142 120.2043 64.5233 36.9094 178.4656 81 T 3.8424 8.0010 116.6173 66.6088 68.3317 176.7063 82 K 3.9516 8.0633 120.2672 59.5665 32.0648 179.4489 83 I 3.7501 7.8746 119.9733 64.4318 37.0395 178.5874 84 L 4.0421 8.2405 120.3893 57.7410 41.2275 179.7099 85 S 4.5173 8.4177 114.4473 61.3223 62.7199 175.7433 86 N 4.3601 7.9343 120.3497 57.0578 38.8460 176.3127 87 H 4.2912 8.8254 118.0631 57.8864 28.0004 176.9551 88 L 4.4948 8.4957 118.9092 53.3051 42.3708 176.8260 89 S 3.8354 7.6473 113.9516 59.2103 61.0512 172.5565 90 V 4.1000 7.0090 116.1551 60.2222 32.5664 176.0833 91 K 4.0081 8.6384 122.0940 56.4008 32.6870 176.3601 92 P 4.3029 0.0000 0.0000 65.4161 31.5081 178.6915 93 R 4.2166 8.1148 113.2064 58.2363 29.6393 177.0590 94 R 4.9539 8.4350 118.3097 56.0077 31.5833 175.0788 95 V 4.6760 7.8512 119.5622 61.3116 33.3938 174.4458 96 Y 4.8720 8.7257 128.1670 55.9457 42.1225 173.6705 97 I 4.7219 7.9860 126.4746 59.2879 40.2959 174.3620 98 E 4.5389 8.7367 127.5882 54.2482 32.7128 174.1731 99 F 5.4030 8.9063 125.0176 55.7244 41.4455 175.1790 100 R 4.7277 9.0631 118.9293 54.4721 33.1760 173.6550 101 D 5.1315 8.8730 121.3121 53.2106 42.4535 175.2122 102 C 4.6562 8.8793 123.6491 59.2812 28.8486 176.1756 103 S 4.1045 8.3523 115.5712 60.5932 62.4689 175.2101 104 A 4.3404 7.7349 121.9597 53.1715 19.5992 177.9147 105 Q 4.1220 7.9215 113.7788 57.4118 29.1083 175.7440 106 N 5.1447 7.7310 113.9779 51.2287 41.6445 173.4248 107 F 4.7173 8.8244 118.2216 55.6577 41.1855 175.3386 108 A 4.8213 8.0417 126.4726 50.2549 21.7808 175.3568 109 F 4.7566 8.5624 119.1605 55.5665 42.9574 174.6890 110 S 4.5774 8.5356 119.1668 57.3644 63.3909 175.1957 111 G 4.0246 8.7267 113.1566 47.0738 0.0000 175.5856 112 S 4.3219 8.1690 116.2665 60.5220 62.8667 176.2262 113 L 3.5977 7.4652 122.4308 56.7099 41.1438 177.5068 114 F 4.8505 7.1211 115.2782 57.5527 42.4794 177.9132 115 G 3.7191 7.8236 106.9812 46.6305 0.0000 173.3866 *116 G 3.7078 8.9187 113.3665 45.4394 0.0000 172.1310 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 P 0.00 5.10 0.00 2.13 2.16 0.00 3.91 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 *3 C 8.25 4.72 0.00 2.97 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 4 E 8.94 4.98 0.00 1.97 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 2.21 2.07 0.00 5 L 9.14 4.78 0.00 1.71 1.84 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.98 4.96 2.09 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 1.14 0.50 1.00 0.00 0.00 7 T 8.64 5.09 4.30 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 1.60 0.00 0.00 8 N 8.61 5.02 0.00 2.80 3.07 0.00 0.00 6.90 7.70 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 9 I 7.90 4.35 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.71 0.95 0.00 0.00 10 S 8.89 4.28 0.00 3.23 3.62 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 11 I 7.83 4.63 1.71 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.28 0.81 0.00 0.00 12 P 0.00 4.41 0.00 2.28 1.98 0.00 3.52 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 13 D 8.58 4.39 0.00 2.69 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 14 D 7.97 4.30 0.00 2.85 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 15 K 7.94 3.92 0.00 1.79 1.89 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.47 7.81 16 A 7.97 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.25 3.92 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 18 N 8.12 4.32 0.00 2.88 2.86 0.00 0.00 7.04 7.07 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 19 T 8.01 3.56 4.21 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 1.05 0.00 0.00 20 L 8.00 3.95 0.00 1.66 1.70 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.26 4.04 0.00 3.88 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 22 E 8.42 3.95 0.00 2.08 1.94 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 2.31 2.50 0.00 23 I 7.83 3.66 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.65 0.86 0.00 0.00 24 E 8.40 3.94 0.00 2.15 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 2.31 2.44 0.00 25 D 8.21 4.34 0.00 2.85 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 26 A 8.21 3.97 1.38 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 27 I 7.95 3.66 2.05 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 1.55 0.79 0.93 0.00 0.00 28 S 8.08 4.53 0.00 4.00 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 29 N 8.47 4.27 0.00 2.64 3.02 0.00 0.00 7.35 8.29 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 30 I 7.89 3.88 1.87 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 1.72 0.93 0.90 0.00 0.00 31 L 8.54 4.33 0.00 1.75 1.85 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.77 4.16 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 0.00 33 K 7.48 4.68 0.00 2.00 1.96 0.00 1.33 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.37 7.81 34 P 0.00 4.56 0.00 2.18 2.08 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 35 V 7.55 3.84 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 0.72 0.00 0.00 0.97 0.00 0.00 36 A 7.83 3.79 1.49 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 0.00 0.00 37 Y 8.16 3.58 0.00 3.20 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 38 I 7.03 4.09 1.88 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 1.29 0.76 0.96 0.00 0.00 39 M 8.65 4.82 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 40 S 8.26 5.49 0.00 3.85 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 41 N 8.35 4.84 0.00 2.84 2.64 0.00 0.00 6.31 7.56 0.00 0.00 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 Y 8.65 5.09 0.00 2.95 2.82 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 43 D 9.07 4.67 0.00 2.66 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 44 Y 7.88 4.34 0.00 2.47 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 45 Q 8.92 4.27 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 46 K 7.82 3.64 0.00 1.77 1.51 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.14 1.34 7.81 47 N 7.76 4.64 0.00 2.67 2.85 0.00 0.00 6.84 7.85 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 48 L 7.66 4.08 0.00 1.77 1.67 1.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.30 4.92 0.00 1.73 1.70 0.00 3.20 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.75 0.00 50 F 8.30 4.53 0.00 1.51 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 0.00 0.00 0.00 51 S 8.78 2.96 0.00 3.53 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 52 G 8.30 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 0.00 0.00 0.00 53 S 7.68 4.58 0.00 3.78 3.72 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 54 N 8.65 4.98 0.00 2.69 2.78 0.00 0.00 7.09 7.65 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 55 E 8.00 4.22 0.00 2.07 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 2.37 2.43 0.00 56 G 8.49 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 57 Y 9.43 5.20 0.00 3.17 2.85 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 58 C 8.50 4.73 0.00 2.66 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 59 F 9.03 5.20 0.00 2.90 2.99 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 0.00 0.00 0.00 60 V 8.39 4.32 1.79 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 0.72 0.00 0.00 0.77 0.00 0.00 61 R 8.36 4.44 0.00 1.01 1.41 0.00 3.19 0.00 0.00 3.50 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 62 L 8.49 4.80 0.00 1.29 1.51 0.27 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.23 4.87 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 1.23 0.00 0.00 64 S 8.91 3.95 0.00 3.94 3.92 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 65 I 7.87 4.33 1.93 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 1.37 0.75 0.94 0.00 0.00 66 G 8.66 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 67 G 8.54 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 0.00 0.00 0.00 0.00 68 I 8.21 4.48 1.70 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 1.57 1.05 0.55 0.00 0.00 69 N 8.01 5.03 0.00 2.74 2.79 0.00 0.00 6.21 7.66 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 70 R 8.66 4.21 0.00 1.78 2.01 0.00 3.31 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 71 S 7.90 4.45 0.00 3.82 3.86 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 72 N 9.31 4.70 0.00 2.94 2.85 0.00 0.00 6.91 6.59 0.00 0.00 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 N 7.55 4.07 0.00 1.67 2.10 0.00 0.00 5.73 7.64 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 74 S 7.91 3.97 0.00 3.90 3.87 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 75 L 7.91 3.95 0.00 1.90 1.70 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.45 3.94 0.00 1.90 1.98 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.93 4.05 1.49 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 0.00 0.00 78 D 8.42 4.25 0.00 2.95 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 79 K 8.07 3.95 0.00 1.93 1.90 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.52 7.81 80 I 8.01 3.72 1.84 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 1.48 0.66 0.82 0.00 0.00 81 T 8.00 3.84 4.37 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 1.23 0.00 0.00 82 K 8.06 3.95 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.70 7.81 83 I 7.87 3.75 1.95 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 1.51 0.69 0.78 0.00 0.00 84 L 8.24 4.04 0.00 1.65 1.68 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.42 4.52 0.00 4.10 4.13 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 0.00 0.00 0.00 86 N 7.93 4.36 0.00 2.83 3.14 0.00 0.00 7.24 7.89 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 87 H 8.83 4.29 0.00 3.13 3.29 0.00 5.68 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.50 4.49 0.00 1.87 1.68 0.84 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.65 3.84 0.00 4.00 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 90 V 7.01 4.10 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 0.76 0.00 0.00 1.02 0.00 0.00 91 K 8.64 4.01 0.00 1.92 1.86 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.58 1.54 7.81 92 P 0.00 4.30 0.00 2.22 2.13 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 93 R 8.11 4.22 0.00 2.03 2.15 0.00 3.05 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 94 R 8.43 4.95 0.00 2.01 2.30 0.00 3.58 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 95 V 7.85 4.68 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 0.68 0.00 0.00 0.97 0.00 0.00 96 Y 8.73 4.87 0.00 2.87 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 97 I 7.99 4.72 1.69 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.67 0.39 0.00 0.00 98 E 8.74 4.54 0.00 2.11 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 2.24 2.34 0.00 99 F 8.91 5.40 0.00 2.92 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 0.00 100 R 9.06 4.73 0.00 1.86 2.02 0.00 2.77 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 101 D 8.87 5.13 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 0.00 102 C 8.88 4.66 0.00 3.03 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 0.00 103 S 8.35 4.10 0.00 3.95 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 0.00 104 A 7.73 4.34 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 0.00 105 Q 7.92 4.12 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 106 N 7.73 5.14 0.00 2.65 2.73 0.00 0.00 6.81 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 0.00 107 F 8.82 4.72 0.00 3.03 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 0.00 108 A 8.04 4.82 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.56 4.76 0.00 3.22 3.19 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 0.00 0.00 0.00 110 S 8.54 4.58 0.00 3.83 3.66 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 0.00 111 G 8.73 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 0.00 112 S 8.17 4.32 0.00 4.06 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 0.00 113 L 7.47 3.60 0.00 0.27 0.85 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 114 F 7.12 4.85 0.00 2.87 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 0.00 115 G 7.82 3.72 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 0.00 0.00 0.00 *116 G 8.92 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.