NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4115 8.3349 115.4169 58.4209 65.0112 173.7206 0 M 4.0019 7.9740 121.4425 54.2595 30.9167 176.0227 *6 D 4.5874 7.6123 120.0972 54.4383 44.4212 177.6247 7 Y 4.3731 7.9011 115.2691 58.8887 38.2158 176.7475 8 L 4.1760 7.3337 120.8998 56.6293 42.6652 177.0894 9 V 5.1048 7.7741 111.4703 59.7001 35.6347 174.7637 10 T 4.8451 8.8548 112.8450 60.1765 72.7704 172.0350 11 E 5.2646 8.6002 119.6144 54.8412 33.4373 175.2894 12 E 4.6785 8.7844 121.0857 54.9658 33.7493 173.3739 13 E 4.7381 8.7670 127.5467 55.4914 30.8757 175.1614 14 I 4.6087 9.0476 127.9538 59.4865 40.5133 174.1694 15 N 5.4352 8.8592 123.5344 51.5320 40.9277 173.7408 16 L 4.8711 9.1554 124.1874 53.2371 45.1128 175.5140 17 T 4.9780 8.4383 118.6076 62.0193 70.3169 173.9822 18 R 4.2710 9.3450 128.5110 55.6172 30.8591 175.7493 19 G 4.3179 8.3196 117.1921 43.1946 0.0000 170.9600 20 P 4.2081 0.0000 0.0000 65.8654 31.2509 177.9626 21 S 4.1345 7.9985 111.8749 59.0525 63.2521 174.9064 22 G 3.9788 8.2319 108.8556 44.5595 0.0000 174.5619 23 L 4.0020 8.3015 117.4990 55.7234 42.1696 177.8036 24 G 4.0013 8.3446 106.0535 45.9451 0.0000 172.1197 25 F 5.3972 7.3469 111.0290 55.3584 41.7639 173.9649 26 N 5.1179 9.2791 116.8315 51.3527 41.5964 173.8669 27 I 5.0956 8.1651 114.5650 59.2773 40.7233 174.7928 28 V 4.4609 8.7098 116.1617 60.2165 35.9340 174.1914 29 G 4.4825 8.6111 106.8278 44.6907 0.0000 172.1806 30 G 4.3687 8.0908 102.8856 42.8920 0.0000 175.2905 31 T 4.0929 8.6165 110.9764 63.2083 68.6222 174.8626 32 D 4.8075 8.0078 118.7464 53.4157 40.8427 176.4077 33 Q 4.5984 7.8166 119.0362 54.8854 29.9049 174.8776 34 Q 4.4079 7.8837 116.8621 56.0438 29.8203 176.8452 35 Y 4.5413 8.3088 124.6541 60.2195 39.3158 176.2350 36 V 4.4636 7.4162 110.5938 58.7781 35.8723 174.3811 37 S 4.1863 8.4623 115.9584 60.1972 62.3957 173.7281 38 N 4.3058 9.2656 124.4399 53.8531 37.6339 172.9580 39 D 4.7977 8.1199 116.1130 52.7898 42.9918 175.3866 40 S 5.0605 8.6866 122.2238 58.4802 64.3353 174.6786 41 G 3.7999 8.9204 108.8541 46.4028 0.0000 172.9034 42 I 4.9107 7.8628 121.7545 59.8981 39.0211 174.5054 43 Y 5.1741 8.7483 124.3906 55.8750 42.2701 174.9732 44 V 4.2680 8.8854 123.4773 63.0239 32.0414 176.5641 45 S 4.5084 8.9074 123.3313 60.0869 64.4444 174.7654 46 R 4.9261 7.7963 118.9267 54.5449 33.7309 173.6149 47 I 4.8343 8.7574 126.1682 59.4677 39.1938 175.4290 48 K 4.4010 9.0946 127.3501 55.2760 33.4960 176.7378 49 E 3.9669 8.6996 123.6359 58.1735 29.8760 177.3235 50 N 4.4371 8.9862 118.3765 53.8814 36.5182 175.1564 51 G 4.0138 7.4517 104.6258 43.2538 0.0000 174.7409 52 A 4.0432 8.6037 121.5904 55.0946 18.2927 179.9187 53 A 3.9656 8.2770 119.0797 55.2241 18.2315 179.7780 54 A 3.9620 7.9165 117.7835 55.2952 18.6535 179.3209 55 L 4.0861 7.7089 116.4493 58.0352 41.7628 179.0015 56 D 4.4508 7.9979 117.1554 55.6178 41.3001 177.3860 57 G 4.0397 8.2927 106.8041 45.4388 0.0000 174.6902 58 R 4.0594 7.9346 118.2546 58.6314 30.3981 177.3845 59 L 4.2157 7.7182 118.6848 54.9947 42.9156 175.7839 60 Q 4.7041 9.1261 123.9241 53.5768 31.9845 175.0268 61 E 4.2578 8.5876 121.0935 58.0043 29.9212 177.6595 62 G 4.0704 9.1835 112.8195 44.9384 0.0000 173.5662 63 D 4.7199 8.0368 120.3652 54.5052 42.2162 175.3365 64 K 4.2526 8.8950 124.0261 55.4951 33.8867 175.2892 65 I 4.4457 8.4116 129.2312 60.4631 37.5400 175.5270 66 L 4.4610 9.0530 128.5712 56.6366 43.3037 177.0323 67 S 5.1102 7.6803 111.1987 56.9444 66.7055 173.9930 68 V 4.5655 8.3004 120.6174 61.0558 33.3163 175.5489 69 N 4.1165 10.1194 123.7483 54.1850 36.5818 175.4801 70 G 3.8477 8.3291 103.4726 45.5911 0.0000 173.6559 71 Q 4.4488 7.8677 120.2341 53.8812 29.9222 175.1015 72 D 4.8757 8.5319 123.2980 54.4456 41.5472 176.4351 73 L 4.6477 8.4161 125.2078 54.9203 42.3522 177.4043 74 K 4.3072 8.0765 120.0513 54.5845 33.0529 178.7762 75 N 4.2305 8.5913 122.3662 53.3468 36.4069 174.0247 76 L 4.6580 7.3126 116.0518 52.9397 44.3315 176.9635 77 L 4.5010 8.1875 120.8555 54.9490 43.5046 177.7952 78 H 4.1395 9.3470 122.2759 59.9703 29.7134 177.6287 79 Q 3.9672 8.1065 120.4381 59.1444 28.7111 177.6255 80 D 4.3246 8.0609 118.7017 57.0512 41.2354 177.9842 81 A 4.1579 8.0523 121.2706 55.3351 18.3703 179.6270 82 V 3.6642 7.9209 116.6747 66.5800 31.4346 177.9036 83 D 4.3730 8.5070 118.6929 57.4260 40.3904 178.7797 84 L 3.8935 7.4992 118.2194 57.5252 41.7709 179.4179 85 F 4.2895 8.0598 117.2348 60.6488 38.9972 177.9971 86 R 4.1317 8.2437 115.8755 58.3775 30.0140 177.8208 87 N 4.6572 8.2664 114.5207 52.7451 39.0623 174.9756 88 A 4.3143 7.3934 124.0611 51.8486 20.0866 178.1646 89 G 4.1849 7.9420 109.7238 45.7839 0.0000 175.1227 90 Y 4.4283 8.5432 117.9265 58.7143 39.6395 175.5903 91 A 5.1021 7.1427 121.4463 49.8273 21.3320 175.9726 92 V 4.4181 8.8616 122.7594 61.1795 34.8449 174.0547 93 S 5.2389 9.2178 123.2413 56.8637 64.4606 172.6391 94 L 5.2191 9.2072 126.4228 52.9156 45.4524 175.1705 95 R 4.9616 8.6350 123.7265 54.8149 32.0737 175.2778 96 V 4.8868 8.6865 119.0067 59.5334 36.2922 174.3478 97 Q 4.9316 8.8082 124.8034 54.7637 30.8633 174.3199 98 H 5.2580 8.6977 124.7771 55.0951 30.1767 174.7737 99 R 5.0780 8.4550 121.1741 54.4107 32.3749 175.8048 100 L 4.2085 8.9769 124.5709 57.3729 42.2348 177.8931 101 E 4.3406 8.1124 117.1209 55.7092 30.4790 175.8456 102 S 4.7517 8.2204 116.7628 56.7424 66.0879 173.9753 103 S 4.4742 8.3390 119.7527 57.7694 63.7721 174.5334 104 I 3.9762 8.1381 124.2347 61.4263 37.2689 175.4547 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 S 8.33 4.41 0.00 3.98 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 0 M 7.97 4.00 0.00 1.71 1.88 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.66 0.00 *6 D 7.61 4.59 0.00 2.78 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 7 Y 7.90 4.37 0.00 3.09 3.10 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 0.00 0.00 0.00 0.00 8 L 7.33 4.18 0.00 1.50 1.62 0.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.77 5.10 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 0.69 0.00 0.00 0.97 0.00 0.00 10 T 8.85 4.85 4.28 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 1.25 0.00 0.00 11 E 8.60 5.26 0.00 1.81 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 2.25 0.00 12 E 8.78 4.68 0.00 2.04 1.68 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 2.22 2.28 0.00 13 E 8.77 4.74 0.00 1.98 1.83 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 2.24 2.38 0.00 14 I 9.05 4.61 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.57 0.90 0.00 0.00 15 N 8.86 5.44 0.00 2.57 2.72 0.00 0.00 6.92 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 16 L 9.16 4.87 0.00 1.61 1.62 1.04 0.51 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 17 T 8.44 4.98 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 1.31 0.00 0.00 18 R 9.35 4.27 0.00 1.84 1.94 0.00 3.28 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 19 G 8.32 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 0.00 0.00 0.00 0.00 20 P 0.00 4.21 0.00 2.06 2.15 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 21 S 8.00 4.13 0.00 3.88 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 22 G 8.23 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.30 4.00 0.00 1.61 1.95 1.06 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.34 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 25 F 7.35 5.40 0.00 3.07 2.90 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 26 N 9.28 5.12 0.00 2.63 2.68 0.00 0.00 6.90 7.51 0.00 0.00 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 8.17 5.10 1.79 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.53 0.76 0.00 0.00 28 V 8.71 4.46 1.78 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 0.61 0.00 0.00 0.10 0.00 0.00 29 G 8.61 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 0.00 0.00 0.00 0.00 30 G 8.09 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 0.00 0.00 0.00 0.00 31 T 8.62 4.09 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 1.23 0.00 0.00 32 D 8.01 4.81 0.00 2.81 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 33 Q 7.82 4.60 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 34 Q 7.88 4.41 0.00 2.09 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.07 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 35 Y 8.31 4.54 0.00 2.77 3.04 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 36 V 7.42 4.46 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 0.46 0.00 0.00 0.90 0.00 0.00 37 S 8.46 4.19 0.00 3.81 3.78 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 38 N 9.27 4.31 0.00 2.91 2.94 0.00 0.00 6.93 7.93 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 39 D 8.12 4.80 0.00 2.76 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 40 S 8.69 5.06 0.00 3.85 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 41 G 8.92 3.80 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 0.00 0.00 0.00 42 I 7.86 4.91 1.82 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 1.31 0.94 0.95 0.00 0.00 43 Y 8.75 5.17 0.00 2.57 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 44 V 8.89 4.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.77 0.00 0.00 45 S 8.91 4.51 0.00 3.92 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 46 R 7.80 4.93 0.00 1.88 1.76 0.00 3.13 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 47 I 8.76 4.83 1.89 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 1.22 0.80 0.94 0.00 0.00 48 K 9.09 4.40 0.00 1.82 1.73 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.44 7.81 49 E 8.70 3.97 0.00 1.96 1.91 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 2.33 2.36 0.00 50 N 8.99 4.44 0.00 2.91 3.03 0.00 0.00 6.92 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 51 G 7.45 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 52 A 8.60 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.28 3.97 1.44 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 54 A 7.92 3.96 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 55 L 7.71 4.09 0.00 1.79 1.77 1.02 1.13 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 56 D 8.00 4.45 0.00 2.69 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 57 G 8.29 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 58 R 7.93 4.06 0.00 1.96 2.15 0.00 3.34 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 59 L 7.72 4.22 0.00 1.43 1.42 0.74 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 9.13 4.70 0.00 2.33 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.42 0.00 61 E 8.59 4.26 0.00 1.97 1.92 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 2.33 2.32 0.00 62 G 9.18 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 63 D 8.04 4.72 0.00 2.68 2.58 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 64 K 8.89 4.25 0.00 1.87 1.61 0.00 1.40 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.15 0.81 7.81 65 I 8.41 4.45 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.13 1.08 0.00 0.00 66 L 9.05 4.46 0.00 1.64 1.65 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.68 5.11 0.00 3.85 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 68 V 8.30 4.57 1.44 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 0.45 0.00 0.00 0.52 0.00 0.00 69 N 10.12 4.12 0.00 2.83 2.82 0.00 0.00 7.14 7.68 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 70 G 8.33 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 0.00 0.00 0.00 71 Q 7.87 4.45 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 72 D 8.53 4.88 0.00 2.63 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 73 L 8.42 4.65 0.00 1.72 1.64 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.08 4.31 0.00 1.77 1.60 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.31 1.02 7.81 75 N 8.59 4.23 0.00 2.81 2.88 0.00 0.00 7.06 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 76 L 7.31 4.66 0.00 1.70 1.57 0.94 0.60 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 77 L 8.19 4.50 0.00 1.82 1.62 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 78 H 9.35 4.14 0.00 3.33 3.36 0.00 5.78 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 79 Q 8.11 3.97 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 80 D 8.06 4.32 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 81 A 8.05 4.16 1.41 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 0.00 0.00 0.00 82 V 7.92 3.66 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.84 0.00 0.00 83 D 8.51 4.37 0.00 2.88 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 84 L 7.50 3.89 0.00 1.43 1.45 0.81 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.06 4.29 0.00 3.10 2.98 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 0.00 0.00 0.00 86 R 8.24 4.13 0.00 1.79 1.99 0.00 3.10 0.00 0.00 3.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 87 N 8.27 4.66 0.00 2.77 2.84 0.00 0.00 6.95 7.26 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 88 A 7.39 4.31 1.32 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 0.00 0.00 89 G 7.94 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 90 Y 8.54 4.43 0.00 3.02 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 91 A 7.14 5.10 0.84 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 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.86 4.42 2.16 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 0.98 0.00 0.00 0.95 0.00 0.00 93 S 9.22 5.24 0.00 3.90 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 94 L 9.21 5.22 0.00 1.62 1.50 0.95 0.83 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 95 R 8.64 4.96 0.00 1.98 1.74 0.00 3.14 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 96 V 8.69 4.89 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 0.61 0.00 0.00 0.78 0.00 0.00 97 Q 8.81 4.93 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 98 H 8.70 5.26 0.00 3.17 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.45 5.08 0.00 1.71 1.95 0.00 3.53 0.00 0.00 3.64 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 100 L 8.98 4.21 0.00 1.52 1.75 1.02 1.26 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 0.00 101 E 8.11 4.34 0.00 1.95 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 2.27 2.29 0.00 102 S 8.22 4.75 0.00 3.78 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 4.47 0.00 3.68 3.70 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 0.00 104 I 8.14 3.98 1.82 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 1.22 0.82 0.86 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.