NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1599 8.3645 123.5821 51.2799 19.0362 174.8846 3 R 3.9816 8.1820 116.9878 56.2155 31.3013 175.8371 4 I 4.1132 9.4745 124.8817 58.6744 35.5335 175.2120 5 A 4.2322 9.5129 127.3775 53.3104 19.1349 178.7275 6 G 4.0098 8.2593 111.0399 47.4752 0.0000 174.7411 7 V 3.3544 8.0767 127.3028 61.9093 29.5191 173.0460 8 E 4.5416 9.0784 120.8580 56.2272 30.7492 179.2159 9 I 4.6921 8.0461 124.9536 56.9769 35.6428 170.4394 10 P 4.5437 0.0000 0.0000 62.5377 31.7998 177.5871 11 R 4.6054 8.4187 120.6190 56.6175 32.9756 174.6502 12 N 4.7371 9.2253 118.5592 52.5475 35.3190 175.8181 13 K 4.6926 7.5435 118.6284 53.0845 35.2788 181.3252 14 R 4.1429 8.7546 118.7858 58.4872 29.3361 179.0067 15 V 3.6148 8.4737 126.7377 66.1205 31.3834 175.2676 16 D 4.6862 7.7329 123.9332 59.2612 39.8392 182.4393 17 V 3.9941 8.1245 120.2853 65.8940 31.3126 180.1878 18 A 4.2395 8.2954 124.4064 55.6472 18.0594 180.3127 19 L 3.9047 8.1114 121.9997 60.3055 41.1916 181.5797 20 T 4.8548 7.7939 111.4544 64.7831 68.5399 181.5672 *21 Y 4.2011 9.1154 119.8773 58.4923 36.8920 178.8704 22 I 4.2709 7.8310 121.7430 59.8038 36.9448 180.1986 *23 Y 4.3663 8.2725 123.9299 59.6647 35.5999 172.0553 24 G 3.5718 8.0942 120.0484 44.7645 0.0000 172.7041 25 I 4.4613 8.1971 120.5130 57.7970 38.3278 180.7729 26 G 3.9859 8.9221 116.9421 45.0426 0.0000 173.8510 27 K 3.6603 8.9829 126.2560 55.8067 30.7860 173.5078 28 A 4.1003 7.4215 121.6138 56.4506 18.1891 180.2964 29 R 3.9240 7.8575 117.1872 60.5021 29.8712 181.0698 30 A 4.2011 8.0840 121.5953 56.6323 18.4952 179.7737 31 K 3.9307 8.5273 124.8413 60.4326 31.8511 181.2800 32 E 4.2161 8.6987 118.7095 61.5503 29.6249 181.2879 33 A 4.2584 8.5949 123.5418 55.8622 18.4551 180.2367 34 L 4.0601 8.2741 122.0381 60.7029 40.8093 181.1313 35 E 4.1350 8.8656 118.9454 63.2579 29.4430 182.7414 36 K 4.0755 8.5007 127.5590 60.3900 32.1196 181.6147 37 T 4.2144 8.1958 118.6243 63.4882 70.0182 175.8847 38 G 4.1207 8.0187 109.5555 47.1399 0.0000 172.7243 39 I 4.4151 7.4550 118.2482 58.6440 39.7473 175.5488 40 N 4.2388 9.1649 125.4176 51.7212 37.2368 170.7878 41 P 4.2663 0.0000 0.0000 64.4264 30.8910 175.2500 42 A 4.0415 8.3256 122.6751 55.9166 18.5284 178.9628 43 T 3.9974 7.9831 111.8870 62.9702 69.0251 177.8114 44 R 4.4076 8.7168 127.9696 56.6219 30.6383 176.6284 45 V 3.7870 7.9038 118.2538 66.0190 31.5856 179.6143 46 K 4.1267 8.4647 123.5333 57.1045 31.8074 179.5627 47 D 4.9941 7.5031 117.5772 53.9652 40.5252 181.9619 48 L 4.5489 7.9051 123.1456 54.5883 43.2956 178.9609 49 T 4.6664 8.0180 113.5968 63.8072 70.2838 173.2202 50 E 4.0636 8.6794 126.5029 60.3564 30.2504 175.2923 51 A 4.3204 8.3443 124.0834 55.6036 18.4648 179.7473 52 E 3.8977 8.2103 117.5177 62.0871 29.8092 182.4038 53 V 3.8978 8.3179 122.9801 66.7241 31.3993 181.6747 54 V 3.9216 8.1213 122.7023 66.5854 31.4423 180.5493 55 R 4.1978 8.2236 123.6112 62.2574 29.0092 180.4580 56 L 4.4961 8.0854 124.8888 60.2531 40.3442 182.2020 57 R 4.2019 8.7382 124.1003 62.2315 29.1176 181.3973 58 E 4.3124 9.5437 120.1575 62.0695 30.1098 180.7510 *59 Y 4.3968 9.0649 125.7688 61.3012 36.7907 180.7041 60 V 3.8735 8.4005 122.8048 67.0238 31.7106 181.2479 61 E 4.3735 7.8678 119.2930 60.4289 30.9675 180.9407 62 N 5.1412 7.4818 122.8329 52.2839 34.8823 175.7596 63 T 4.4867 7.3376 120.3864 61.3649 74.5856 176.0002 *64 W 4.9129 7.9636 121.7254 54.9174 31.9643 179.2911 65 K 4.0860 8.9433 128.0054 54.4973 30.9119 173.2905 66 L 4.9676 8.2338 127.3841 52.9473 45.6233 173.0661 67 E 4.0015 9.1446 110.8102 58.2721 29.4941 172.9485 68 G 4.0692 8.8521 102.4676 50.6939 0.0000 175.7660 69 E 4.0720 8.0996 121.9840 61.6395 29.7941 182.6643 70 L 4.2502 8.3618 126.3658 59.8814 40.9934 181.6142 71 R 4.0671 8.1287 120.4613 61.6782 29.2912 180.2376 72 A 4.2121 8.2798 123.6927 55.8630 18.3016 179.9399 73 E 3.9758 8.5353 118.7678 62.5483 29.7447 181.8434 74 V 3.9119 8.3232 120.0737 66.1124 31.4739 179.9074 75 A 4.2348 8.4183 119.7373 55.2182 18.4121 179.3247 76 A 3.9917 8.1211 121.3011 56.4036 17.9574 180.2377 77 N 4.4735 9.0278 120.9275 58.4199 37.3907 179.9395 78 I 3.8005 8.4199 124.2290 65.0975 35.6642 181.3565 79 K 4.3459 8.9784 126.2645 62.2976 31.9749 185.0000 80 R 3.4101 8.8896 120.6090 60.2180 30.7841 180.7935 81 L 4.2703 7.9410 119.7859 57.8907 41.7274 182.4045 82 M 4.2318 8.8275 119.3259 57.8402 31.5396 181.2564 83 D 4.4930 7.9581 117.9639 56.9446 40.3135 182.4669 84 I 4.3466 7.4291 116.9964 58.4416 36.5624 178.9394 85 G 3.9281 8.5380 108.0593 47.3970 0.0000 174.2952 86 C 4.1633 8.8116 121.2661 58.2021 27.5910 177.2874 *87 Y 4.2610 9.0114 130.4849 62.2720 36.3219 176.0004 88 R 4.6871 8.2448 122.0163 60.9180 29.4290 180.0349 89 G 4.0439 8.9091 105.6714 46.7903 0.0000 175.4901 90 L 4.5985 9.1781 126.5544 57.5885 40.9349 184.2420 91 R 4.7907 7.5295 122.3811 61.7873 29.8398 182.9077 *92 H 4.9371 7.6860 116.3052 57.9095 28.1368 180.2437 93 R 4.6187 7.7445 118.4743 59.3992 32.0430 181.3653 94 R 4.2504 8.2883 120.7809 56.1003 29.4073 178.2514 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 2 A 8.36 4.16 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 3 R 8.18 3.98 0.00 1.92 1.80 0.00 3.24 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.26 0.00 4 I 9.47 4.11 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 1.23 1.19 0.91 0.00 0.00 5 A 9.51 4.23 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 6 G 8.26 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 7 V 8.08 3.35 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 0.71 0.00 0.00 0.93 0.00 0.00 8 E 9.08 4.54 0.00 1.77 1.86 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 2.19 2.11 0.00 9 I 8.05 4.69 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 1.27 1.23 0.91 0.00 0.00 10 P 0.00 4.54 0.00 2.08 1.86 0.00 3.74 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 1.94 1.58 0.00 11 R 8.42 4.61 0.00 1.78 1.66 0.00 3.27 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 0.00 12 N 9.23 4.74 0.00 2.91 2.98 0.00 0.00 6.41 7.44 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 13 K 7.54 4.69 0.00 1.64 1.66 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.33 0.95 7.81 14 R 8.75 4.14 0.00 1.72 1.91 0.00 3.26 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.24 0.00 15 V 8.47 3.61 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 0.70 0.00 0.00 0.93 0.00 0.00 16 D 7.73 4.69 0.00 2.69 2.66 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 17 V 8.12 3.99 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 0.73 0.00 0.00 0.93 0.00 0.00 18 A 8.30 4.24 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 19 L 8.11 3.90 0.00 1.75 1.66 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.79 4.85 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 *21 Y 9.12 4.20 0.00 2.33 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 22 I 7.83 4.27 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 1.16 0.60 0.91 0.00 0.00 *23 Y 8.27 4.37 0.00 2.23 2.27 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 24 G 8.09 3.57 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 0.00 25 I 8.20 4.46 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 1.23 0.85 0.91 0.00 0.00 26 G 8.92 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 0.00 0.00 0.00 27 K 8.98 3.66 0.00 1.80 1.82 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 0.98 7.81 28 A 7.42 4.10 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 29 R 7.86 3.92 0.00 1.83 1.96 0.00 3.26 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 30 A 8.08 4.20 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 31 K 8.53 3.93 0.00 1.76 1.78 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.34 7.81 32 E 8.70 4.22 0.00 1.96 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 2.26 2.24 0.00 33 A 8.59 4.26 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 34 L 8.27 4.06 0.00 1.70 1.70 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.87 4.14 0.00 2.00 1.80 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 2.27 2.22 0.00 36 K 8.50 4.08 0.00 1.89 1.66 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.34 7.81 37 T 8.20 4.21 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 G 8.02 4.12 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 0.00 39 I 7.46 4.42 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 1.27 0.84 0.91 0.00 0.00 40 N 9.16 4.24 0.00 2.64 2.82 0.00 0.00 6.96 7.76 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 41 P 0.00 4.27 0.00 1.98 2.12 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.63 0.00 42 A 8.33 4.04 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 43 T 7.98 4.00 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 44 R 8.72 4.41 0.00 1.50 1.84 0.00 3.21 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 45 V 7.90 3.79 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 0.80 0.00 0.00 0.93 0.00 0.00 46 K 8.46 4.13 0.00 1.77 1.76 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.01 7.81 47 D 7.50 4.99 0.00 2.70 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 48 L 7.91 4.55 0.00 1.65 1.50 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.02 4.67 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 50 E 8.68 4.06 0.00 2.06 1.90 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 2.24 2.00 0.00 51 A 8.34 4.32 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 52 E 8.21 3.90 0.00 1.98 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 2.33 2.00 0.00 53 V 8.32 3.90 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 0.71 0.00 0.00 0.93 0.00 0.00 54 V 8.12 3.92 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 0.71 0.00 0.00 0.93 0.00 0.00 55 R 8.22 4.20 0.00 1.80 2.01 0.00 3.25 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.31 0.00 56 L 8.09 4.50 0.00 1.66 1.74 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.74 4.20 0.00 1.77 2.01 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 58 E 9.54 4.31 0.00 2.07 1.90 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 2.26 2.19 0.00 *59 Y 9.06 4.40 0.00 2.22 2.25 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 60 V 8.40 3.87 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 0.71 0.00 0.00 0.93 0.00 0.00 61 E 7.87 4.37 0.00 2.09 1.90 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 2.26 2.20 0.00 62 N 7.48 5.14 0.00 2.84 2.65 0.00 0.00 6.82 7.34 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 63 T 7.34 4.49 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 *64 W 7.96 4.91 0.00 2.49 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 0.00 0.00 0.00 65 K 8.94 4.09 0.00 1.77 1.67 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.00 7.81 66 L 8.23 4.97 0.00 1.51 1.55 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 67 E 9.14 4.00 0.00 1.91 1.82 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 2.17 2.11 0.00 68 G 8.85 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 69 E 8.10 4.07 0.00 2.02 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 0.00 2.24 2.19 0.00 70 L 8.36 4.25 0.00 1.63 1.69 0.92 1.26 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 71 R 8.13 4.07 0.00 1.80 2.01 0.00 3.26 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.31 0.00 72 A 8.28 4.21 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 73 E 8.54 3.98 0.00 1.98 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 2.25 2.21 0.00 74 V 8.32 3.91 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 0.73 0.00 0.00 0.93 0.00 0.00 75 A 8.42 4.23 1.33 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 0.00 0.00 76 A 8.12 3.99 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 77 N 9.03 4.47 0.00 2.68 2.85 0.00 0.00 7.26 7.47 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 78 I 8.42 3.80 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 1.38 1.10 0.91 0.00 0.00 79 K 8.98 4.35 0.00 1.75 1.83 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.32 7.81 80 R 8.89 3.41 0.00 1.80 1.92 0.00 3.24 0.00 0.00 3.20 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 81 L 7.94 4.27 0.00 1.41 1.70 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 82 M 8.83 4.23 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.36 0.00 83 D 7.96 4.49 0.00 2.73 2.61 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 0.00 0.00 0.00 84 I 7.43 4.35 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 1.23 0.56 0.91 0.00 0.00 85 G 8.54 3.93 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 0.00 0.00 0.00 86 C 8.81 4.16 0.00 2.72 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 *87 Y 9.01 4.26 0.00 2.31 2.36 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 88 R 8.24 4.69 0.00 1.81 2.00 0.00 3.20 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.29 0.00 89 G 8.91 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 0.00 0.00 0.00 90 L 9.18 4.60 0.00 1.67 1.65 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.53 4.79 0.00 2.03 1.86 0.00 3.23 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 *92 H 7.69 4.94 0.00 3.07 2.98 0.00 7.11 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.74 4.62 0.00 1.78 1.80 0.00 3.23 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.14 0.00 94 R 8.29 4.25 0.00 1.77 1.72 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 * Residues marked with a * may have inaccurate shift predictions.