NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6409 8.1627 120.3507 54.7548 33.4855 174.4664 2 Q 3.7024 8.6529 124.7722 57.3455 29.3320 175.8990 3 F 4.2019 10.1385 124.4653 57.7893 38.4874 173.7006 4 K 4.6837 7.6798 120.2778 54.8012 34.5582 175.6541 5 V 4.4678 8.1307 117.1506 60.3024 33.9223 174.7465 6 Y 5.3855 7.8608 121.0002 55.4415 42.7081 173.7445 7 T 4.9429 7.8733 114.9946 61.0161 73.2697 173.3767 8 Y 5.3383 8.3332 119.9322 57.0348 40.3157 175.8544 9 K 4.6272 8.0040 120.4930 57.0444 32.7141 177.7075 10 R 4.3692 7.5992 112.2083 55.8361 32.8449 175.7611 11 E 4.5876 8.9193 122.9271 53.9518 30.8827 175.9070 *15 R 4.5881 8.4898 122.8516 55.8100 32.5119 175.1978 16 L 4.9002 7.4217 117.5980 53.7147 45.7400 174.6271 17 F 5.1118 8.4511 118.6971 56.0262 42.2141 172.6550 18 V 4.7232 8.5849 119.7993 60.9590 33.7233 174.1554 19 D 5.0987 9.1788 128.7500 54.6738 41.7810 176.5433 20 V 4.1732 8.6246 117.8637 60.9954 33.3244 176.1684 21 Q 4.1006 7.8796 122.0956 55.3199 29.6715 175.5113 22 S 4.1914 8.3357 117.8324 58.2497 63.0113 174.9924 23 D 4.4011 8.6298 126.8773 56.4845 40.8524 177.0139 24 I 4.3145 7.4023 111.1404 60.2018 37.7678 175.0623 25 I 4.4240 7.4114 122.0141 59.7496 39.2390 174.2529 26 D 4.7921 8.6834 124.5971 52.6842 42.6501 175.7183 27 T 4.3626 7.6621 123.2455 61.8215 68.9073 175.1063 28 P 3.9589 0.0000 0.0000 61.6467 32.3212 177.2194 29 G 4.1431 7.7580 100.0457 45.6295 0.0000 171.7467 30 R 4.8023 7.3580 119.4905 54.9682 32.8779 175.4412 31 R 4.3391 7.5401 115.4501 56.2840 34.4086 173.7465 32 M 4.8021 8.3757 126.3780 55.1724 33.4056 175.4180 33 V 5.0392 9.8369 123.4025 61.2147 36.1748 174.0470 34 I 4.9958 8.3710 126.1228 58.6794 39.8945 173.7499 35 P 4.9016 0.0000 0.0000 62.8328 32.9788 174.8646 36 L 5.3909 8.3555 120.1724 53.0816 43.5736 176.1481 37 A 5.0601 8.9480 125.3109 49.6988 22.3917 175.9107 38 S 3.8242 8.7195 113.9988 58.2448 63.2282 174.2868 39 A 4.0184 8.8767 133.3908 56.8578 17.8677 180.5563 40 R 3.5498 6.9782 110.3296 59.4114 30.2035 179.0094 41 L 3.9658 7.7349 118.5921 56.0010 42.1295 177.1810 42 L 4.5986 7.9371 120.4436 52.7278 42.6031 176.6832 43 S 4.0890 8.6052 119.6149 60.8815 63.5827 174.9922 *47 S 4.1604 7.9691 119.0244 58.9191 63.4483 174.8866 48 R 4.4786 8.6850 122.3089 57.0374 29.4656 173.4395 49 E 4.3860 7.9099 116.7584 58.5519 30.3284 177.0302 50 L 4.0799 7.3446 119.1438 56.4151 42.7769 176.0252 51 Y 5.2732 7.3504 114.6517 54.8625 37.3172 173.3864 52 P 4.5082 0.0000 0.0000 63.4365 33.0711 176.4711 53 V 4.8792 8.3630 121.3725 61.5928 33.0750 175.1522 54 V 4.6966 8.9774 120.7119 59.9437 35.4376 174.0802 55 H 5.5546 8.8249 118.7090 54.4216 31.4817 174.6044 56 I 4.3417 9.2081 123.2896 60.7015 40.4291 176.1534 57 G 4.0023 8.7909 119.3887 46.0298 0.0000 172.6266 *58 D 4.7737 8.4920 114.3378 52.8616 39.6163 171.5743 59 E 4.8900 8.1540 120.0670 55.3279 35.2723 176.1140 60 S 5.2615 8.3105 116.8568 56.7093 66.6589 173.2026 61 W 5.5247 9.6111 123.0514 55.0587 33.9294 174.1348 62 R 4.9935 9.2732 120.7487 54.8404 31.6831 175.8357 63 M 4.4316 9.1003 125.1543 55.2396 32.2900 177.5716 64 M 4.4825 8.8612 126.5741 54.6145 30.4405 177.3102 65 T 3.9894 8.7266 120.1632 66.8409 69.1372 176.8545 66 T 4.0340 8.4219 108.9544 64.0381 68.8448 174.2227 67 D 4.8113 7.9253 121.3634 54.2050 40.9483 175.9598 68 M 4.4062 7.4245 118.8172 56.8449 32.6027 175.1327 69 A 4.4672 9.3651 124.3251 51.4520 23.5446 175.1406 70 S 4.7480 8.6403 114.1784 57.5679 64.0066 173.5850 71 V 4.5186 8.8231 125.8671 60.0439 34.8691 172.9399 72 P 4.3475 0.0000 0.0000 62.8070 31.5072 177.5975 73 V 3.6083 9.0453 117.9021 63.7248 31.7060 178.4469 74 S 4.2823 7.9623 113.3324 60.3371 63.3004 175.2107 75 V 3.9430 8.0526 120.7085 63.8891 31.7961 175.3989 76 I 4.1185 7.3321 119.6747 61.7255 37.6234 175.7983 77 G 4.1949 9.3588 123.2930 46.4884 0.0000 173.1275 78 E 4.4889 8.8223 123.0737 55.9748 31.3489 175.6161 79 E 4.0711 8.6147 123.0030 56.0915 29.7260 176.1903 80 V 4.0987 8.4149 126.6681 64.3126 33.2561 174.7493 81 A 4.4409 7.0697 119.8790 51.1731 22.8733 174.3706 82 D 4.7783 8.4228 117.7049 52.7556 43.5615 175.0400 83 L 4.5972 9.6226 126.2804 54.5447 42.1911 178.5563 84 S 3.5042 8.7127 118.7833 62.0752 62.8349 175.8604 85 H 4.6072 8.2060 112.4045 56.2192 28.5541 175.5480 86 R 4.3904 8.5490 119.5973 55.8192 31.0787 176.7782 87 E 3.0141 7.6077 121.0447 59.4148 29.1828 178.8801 88 N 4.2821 7.9178 115.3761 56.4334 38.6103 176.6941 89 D 4.4793 7.9955 119.4970 57.5841 41.1112 178.8004 90 I 3.7352 7.9180 120.1592 64.4905 37.1284 178.7045 91 K 4.0919 8.7042 119.7394 59.6408 31.8426 178.9835 92 N 4.2743 8.9340 117.3693 56.3785 37.9485 177.1743 93 A 4.0670 8.2741 122.0958 55.4192 18.0151 179.8228 94 I 3.8506 7.7924 117.9285 64.4813 37.0722 178.2819 95 N 4.8839 8.6436 118.2653 56.7096 38.7675 176.7099 96 L 4.0657 8.4305 122.2300 58.2678 41.8279 178.7607 97 M 3.7886 7.4472 116.4232 58.2170 32.2312 177.7914 98 F 4.2427 7.4344 115.7506 59.6703 39.2090 177.5157 99 W 4.5398 9.0395 117.3533 56.0826 29.0024 177.8419 100 G 4.5775 8.4464 105.8226 46.8387 0.0000 173.7266 101 I 4.1648 7.4813 126.2804 61.4405 38.4068 174.8067 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 M 8.16 4.64 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 2 Q 8.65 3.70 0.00 1.83 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 5.99 0.00 0.00 0.00 0.00 0.00 1.16 1.54 0.00 3 F 10.14 4.20 0.00 3.28 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 4 K 7.68 4.68 0.00 1.68 1.17 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.38 7.81 5 V 8.13 4.47 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 0.59 0.00 0.00 0.65 0.00 0.00 6 Y 7.86 5.39 0.00 1.85 2.56 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 0.00 0.00 0.00 0.00 7 T 7.87 4.94 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 1.38 0.00 0.00 8 Y 8.33 5.34 0.00 2.95 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 9 K 8.00 4.63 0.00 1.75 1.85 0.00 1.90 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.58 7.81 10 R 7.60 4.37 0.00 1.77 1.64 0.00 3.24 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.06 0.00 11 E 8.92 4.59 0.00 1.97 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 2.28 2.29 0.00 *15 R 8.49 4.59 0.00 2.01 2.11 0.00 3.35 0.00 0.00 3.54 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 16 L 7.42 4.90 0.00 1.33 0.90 0.72 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.45 5.11 0.00 3.19 2.97 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 0.00 0.00 0.00 0.00 18 V 8.58 4.72 2.17 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 1.00 0.00 0.00 0.93 0.00 0.00 19 D 9.18 5.10 0.00 3.07 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 20 V 8.62 4.17 2.17 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 0.88 0.00 0.00 1.01 0.00 0.00 21 Q 7.88 4.10 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 22 S 8.34 4.19 0.00 3.88 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 23 D 8.63 4.40 0.00 2.69 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 24 I 7.40 4.31 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 1.29 0.59 0.91 0.00 0.00 25 I 7.41 4.42 1.86 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 1.18 0.95 0.90 0.00 0.00 26 D 8.68 4.79 0.00 2.60 2.53 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 27 T 7.66 4.36 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 28 P 0.00 3.96 0.00 2.06 2.13 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 29 G 7.76 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 30 R 7.36 4.80 0.00 1.67 1.89 0.00 3.31 0.00 0.00 2.98 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 31 R 7.54 4.34 0.00 2.04 1.77 0.00 3.11 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 32 M 8.38 4.80 0.00 2.02 1.98 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 2.70 2.48 0.00 33 V 9.84 5.04 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 1.03 0.00 0.00 1.11 0.00 0.00 34 I 8.37 5.00 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 1.05 0.00 0.00 35 P 0.00 4.90 0.00 2.20 2.25 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.05 0.00 36 L 8.36 5.39 0.00 1.25 1.62 0.45 0.81 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 37 A 8.95 5.06 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 38 S 8.72 3.82 0.00 3.63 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 39 A 8.88 4.02 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 40 R 6.98 3.55 0.00 1.85 1.76 0.00 3.30 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.28 0.00 41 L 7.73 3.97 0.00 1.58 1.74 0.88 0.83 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 42 L 7.94 4.60 0.00 1.67 1.57 0.90 0.60 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 43 S 8.61 4.09 0.00 3.97 3.99 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 *47 S 7.97 4.16 0.00 3.85 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 48 R 8.69 4.48 0.00 1.83 1.82 0.00 3.25 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 49 E 7.91 4.39 0.00 1.92 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 2.26 2.28 0.00 50 L 7.34 4.08 0.00 1.28 1.37 0.63 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.35 5.27 0.00 2.89 2.75 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 52 P 0.00 4.51 0.00 2.15 2.23 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 53 V 8.36 4.88 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 0.87 0.00 0.00 0.97 0.00 0.00 54 V 8.98 4.70 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 0.70 0.00 0.00 1.02 0.00 0.00 55 H 8.82 5.55 0.00 3.04 3.27 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 9.21 4.34 2.07 0.00 0.00 0.52 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 0.77 0.88 0.00 0.00 57 G 8.79 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.49 4.77 0.00 2.71 2.53 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 59 E 8.15 4.89 0.00 2.18 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 60 S 8.31 5.26 0.00 3.59 3.56 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 0.00 0.00 0.00 0.00 61 W 9.61 5.52 0.00 3.13 3.30 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 62 R 9.27 4.99 0.00 1.74 1.88 0.00 3.32 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 63 M 9.10 4.43 0.00 1.99 2.16 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 2.72 2.60 0.00 64 M 8.86 4.48 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.92 0.00 65 T 8.73 3.99 4.32 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 1.20 0.00 0.00 66 T 8.42 4.03 4.32 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 1.40 0.00 0.00 67 D 7.93 4.81 0.00 2.91 2.75 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 68 M 7.42 4.41 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.62 0.00 69 A 9.37 4.47 1.17 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 0.00 0.00 0.00 70 S 8.64 4.75 0.00 3.89 3.74 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 71 V 8.82 4.52 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 0.90 0.00 0.00 0.71 0.00 0.00 72 P 0.00 4.35 0.00 2.24 2.16 0.00 3.73 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 2.06 1.96 0.00 73 V 9.05 3.61 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 0.92 0.00 0.00 0.95 0.00 0.00 74 S 7.96 4.28 0.00 3.98 3.99 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 75 V 8.05 3.94 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 1.08 0.00 0.00 0.92 0.00 0.00 76 I 7.33 4.12 1.90 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 1.39 0.83 0.42 0.00 0.00 77 G 9.36 4.19 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 0.00 0.00 0.00 78 E 8.82 4.49 0.00 1.98 1.87 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 2.40 2.39 0.00 79 E 8.61 4.07 0.00 1.79 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 0.00 2.08 1.78 0.00 80 V 8.41 4.10 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 0.70 0.00 0.00 0.84 0.00 0.00 81 A 7.07 4.44 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 82 D 8.42 4.78 0.00 2.58 2.49 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 83 L 9.62 4.60 0.00 1.80 1.61 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.71 3.50 0.00 3.91 3.99 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 85 H 8.21 4.61 0.00 3.24 3.36 0.00 5.47 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.55 4.39 0.00 1.63 1.80 0.00 3.18 0.00 0.00 2.99 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.54 0.00 87 E 7.61 3.01 0.00 1.16 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 88 N 7.92 4.28 0.00 2.70 2.81 0.00 0.00 7.05 8.08 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 89 D 8.00 4.48 0.00 2.84 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 90 I 7.92 3.74 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.25 1.12 0.00 0.00 91 K 8.70 4.09 0.00 1.86 1.90 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.59 0.00 0.00 0.00 0.00 1.63 1.76 7.81 92 N 8.93 4.27 0.00 2.91 2.88 0.00 0.00 6.95 5.74 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 93 A 8.27 4.07 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.79 3.85 2.20 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.25 1.35 0.00 0.00 95 N 8.64 4.88 0.00 2.93 3.03 0.00 0.00 6.80 6.37 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 96 L 8.43 4.07 0.00 2.01 1.83 0.95 0.68 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 97 M 7.45 3.79 0.00 1.56 1.77 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.71 0.00 98 F 7.43 4.24 0.00 2.65 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 0.00 0.00 0.00 0.00 99 W 9.04 4.54 0.00 3.69 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 0.00 100 G 8.45 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.48 4.16 1.96 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 1.20 0.75 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.