NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1853 8.3149 120.1358 55.9611 33.6152 171.7995 2 E 3.6163 8.1911 125.2675 54.4052 29.7562 172.8040 3 T 4.4746 8.3518 115.2358 60.0034 73.3485 175.3354 4 A 3.9965 8.4787 122.8894 55.4777 18.4209 179.8940 5 A 4.1223 8.0050 118.4066 55.3046 18.5756 179.5762 6 A 4.0179 7.9420 118.9476 55.1533 18.3507 179.7917 7 K 4.1918 8.4567 119.9306 59.0022 32.2013 178.8720 8 F 4.1239 8.3307 120.9967 61.3641 39.4174 176.9705 9 E 4.0455 8.3692 118.0760 59.3941 29.0204 179.4217 10 R 3.8881 7.8503 117.8190 59.5762 30.2931 178.2786 11 Q 3.9740 8.0657 116.7756 57.9924 29.0491 176.2614 12 H 4.7649 8.1079 114.0819 53.9008 31.3956 173.0927 13 M 4.7125 7.8145 118.6895 53.4273 33.4084 176.7867 14 D 4.8253 8.6784 122.7463 53.5399 41.2819 175.9625 15 S 4.2899 8.2513 116.5477 60.9351 63.9604 176.3656 16 S 4.2757 8.3550 116.3127 61.4491 62.6743 174.7110 17 T 4.4334 7.6190 108.5781 60.3993 69.9408 174.8233 18 S 4.1324 8.3396 117.9341 60.1273 64.1352 173.8004 *22 S 4.2804 7.6752 115.2294 57.6715 63.7161 174.3577 23 S 4.2426 8.5626 113.7982 60.4883 63.1006 174.3165 24 N 4.7063 7.7954 117.5005 53.5400 39.3244 175.3653 25 Y 4.0209 7.8004 118.5233 62.2618 38.6654 177.4801 26 C 4.1864 8.7842 117.0732 60.0603 38.6110 175.9394 27 N 4.4297 8.2104 117.4969 56.4763 38.0944 177.3706 28 Q 3.8303 7.8876 119.0476 59.2127 28.8947 178.5770 29 M 3.9037 7.8594 121.2098 58.0765 31.7984 178.7784 30 M 4.0197 8.1313 119.1831 58.0119 31.9643 178.8929 31 K 4.0187 7.8143 121.0041 58.9305 32.4639 179.2278 32 S 4.2017 8.3457 114.6476 60.7568 62.5442 175.4591 33 R 4.4820 7.7595 119.7877 54.8419 30.2397 175.6763 34 N 4.2014 7.8278 114.8342 54.6176 36.6021 174.7994 35 L 4.5792 8.1136 115.8471 55.0104 41.8481 177.6403 36 T 5.5923 7.3692 108.7299 60.4976 69.4980 176.5869 37 K 4.1502 8.5313 122.1335 60.4626 32.6196 178.3570 38 D 4.5093 8.0070 116.4138 56.0361 41.4906 176.1033 39 R 3.7197 7.2135 113.5756 55.6989 31.1265 173.9270 40 C 4.9151 8.7999 116.1105 55.6199 39.6357 173.8811 41 K 4.0372 8.3850 127.4992 56.2022 32.2245 174.3071 42 P 4.5811 0.0000 0.0000 65.4885 31.6779 176.3793 43 V 5.1747 7.5383 109.6271 60.0984 35.8726 173.8687 44 N 4.7319 8.7195 119.9761 52.9227 42.8838 173.1563 45 T 4.8386 7.8104 119.7551 61.5877 72.3153 172.6416 46 F 4.8683 8.8520 124.2712 55.6118 42.2260 174.5358 47 V 4.4608 9.0283 123.3934 61.0275 33.2066 175.9403 48 H 5.6392 8.5790 129.4173 53.9967 26.1504 173.8324 49 E 4.8123 7.6762 117.2115 53.3182 34.5794 176.7561 50 S 4.3558 8.3806 115.1952 58.2686 65.0109 174.9780 51 L 4.0029 8.5695 124.5549 58.3877 41.8582 179.2113 52 A 4.0131 7.9927 120.1556 55.4400 18.1773 179.2322 53 D 4.3619 7.8579 115.9663 57.3495 41.1307 178.9028 54 V 3.8267 7.8562 118.6930 66.0116 31.7594 178.1961 55 Q 3.9461 8.5989 117.9741 58.7144 28.5053 178.5541 56 A 4.0527 8.0970 121.7460 54.6769 18.3125 179.6558 57 V 3.5549 7.6917 116.9350 65.9340 31.2944 177.0469 58 C 3.8505 7.7717 114.7387 58.0970 39.9004 174.1693 59 S 4.6516 7.5515 114.0265 57.9353 63.8154 174.7784 60 Q 4.4603 7.4145 122.6789 55.9856 27.3817 177.4167 61 K 4.1498 7.6602 130.3607 57.0824 32.9343 175.6952 62 N 4.5444 8.8160 127.6875 53.6894 39.2957 174.3698 63 V 4.5945 8.4866 118.6061 59.0945 36.6804 174.9264 64 A 4.1313 8.3909 125.3189 52.2296 19.0424 178.6399 65 C 4.6839 8.8025 120.1144 56.1746 41.0871 175.3070 66 K 3.6792 8.8615 122.1283 59.3910 31.6625 178.0061 67 N 4.5326 8.0642 113.5738 52.9188 37.6735 175.8461 68 G 3.9327 8.2193 108.6111 45.4663 0.0000 174.1317 69 Q 4.2253 8.6317 119.5845 56.1381 29.3013 176.5106 70 T 4.4756 8.2627 108.1926 61.6940 69.4164 174.0859 71 N 4.9276 7.7359 119.7343 53.9709 38.2982 174.9893 72 C 5.3598 7.3852 115.6940 56.6041 44.8198 173.1838 73 Y 5.1576 8.9201 119.0213 56.3152 41.9239 173.9245 74 Q 5.0530 9.0346 125.3095 54.0381 31.3452 174.8723 75 S 4.4031 8.6808 121.9782 58.6699 63.1169 174.3508 76 Y 4.4437 9.0795 121.6075 60.3994 37.9511 176.5015 77 S 4.9239 7.7971 113.9220 56.4744 65.4857 173.7505 78 T 4.1448 8.0491 112.3896 62.1143 69.7351 173.5029 79 M 5.0435 9.0771 121.8103 53.4356 36.8643 174.6422 80 S 4.8595 9.3180 117.4480 58.2056 63.6414 173.1096 81 I 5.1529 9.0717 120.2416 59.5616 41.7991 174.1563 82 T 5.0640 8.8368 119.0616 62.0308 72.0032 172.7352 83 D 5.1251 9.2713 127.1285 53.1641 43.2246 174.7970 84 C 5.4651 9.2959 121.2179 55.2225 42.4071 172.8359 85 R 5.2438 8.5672 124.5443 54.1019 32.7161 174.2199 86 E 4.1924 9.0578 128.4072 56.3596 30.0121 176.8094 87 T 4.3191 8.2937 117.1573 60.5538 70.2640 176.0138 88 G 3.6405 8.4601 110.8317 48.4501 0.0000 175.2984 89 S 4.1768 7.8876 112.6821 59.6410 63.4344 174.0942 90 S 4.1430 7.3415 116.0936 58.0510 62.4102 173.2542 91 K 4.5783 8.3450 126.6369 54.2203 35.1226 175.2337 92 Y 4.4284 8.7873 125.0395 57.6369 39.0940 173.8930 93 P 3.4847 0.0000 0.0000 62.8292 31.8899 176.9533 94 N 4.6363 7.5874 118.8869 52.2111 36.9008 173.4336 95 C 4.3025 7.9784 116.2754 56.6635 37.0332 173.1948 96 A 5.1297 8.9002 126.7077 50.3695 21.3125 174.7634 97 Y 5.1448 9.5851 118.4753 56.1108 42.4746 174.7586 98 K 4.5213 9.1240 123.5459 55.3750 34.0893 175.2440 99 T 4.5939 8.6268 124.8162 63.0087 69.6599 174.3848 100 T 4.5703 8.6933 123.5934 61.6881 71.5489 173.5005 101 Q 4.7480 8.7551 127.6725 55.9480 30.4062 174.3168 102 A 4.4683 8.3353 123.6624 51.5107 23.5855 175.2793 103 N 5.3597 8.8548 116.4100 51.6895 40.8205 174.0289 104 K 4.7781 8.7264 122.3498 54.7566 37.7221 175.4170 105 H 4.8584 9.2581 119.1928 55.6790 29.9407 175.0923 106 I 4.8115 8.5145 115.8538 59.4135 40.6745 174.4615 107 I 4.8600 8.2072 124.1919 59.7168 40.1503 175.0869 108 V 4.7401 8.6552 119.5302 59.3273 35.9870 174.3796 109 A 5.0847 8.7476 124.9602 50.9341 20.7597 175.6409 110 C 5.1636 8.8010 119.1176 55.3302 39.7675 173.1973 111 E 4.7094 8.6415 120.1113 56.3857 34.6547 175.5699 112 G 4.0674 9.3875 108.4207 45.1002 0.0000 171.9271 113 N 5.0322 8.2165 115.9397 50.6225 40.2804 172.0802 114 P 4.3005 0.0000 0.0000 62.7374 31.9215 175.8903 115 Y 4.8466 8.3497 121.7880 57.3264 38.8236 174.5506 116 V 4.4422 8.1840 119.4887 58.3207 36.6555 173.4141 117 P 4.4689 0.0000 0.0000 62.8596 31.0368 177.0621 118 V 4.4825 8.5935 115.7061 61.1698 33.9577 175.2388 119 H 5.0426 7.8952 119.5152 54.8811 33.4758 171.7186 120 F 4.6872 8.6806 127.7367 57.1957 39.4587 174.4299 121 D 4.5606 8.3382 127.0521 56.2344 42.1006 175.7027 122 A 4.5572 6.4638 117.6252 51.5475 22.4932 174.9844 123 S 5.0908 8.7853 113.0271 56.7820 66.0129 174.7146 124 V 4.1434 8.9460 116.1565 61.5519 32.4294 175.4267 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 K 8.31 4.19 0.00 1.77 1.91 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.48 7.81 2 E 8.19 3.62 0.00 2.29 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 2.31 2.37 0.00 3 T 8.35 4.47 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 4 A 8.48 4.00 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 5 A 8.00 4.12 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 6 A 7.94 4.02 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 7 K 8.46 4.19 0.00 1.94 2.05 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.41 7.81 8 F 8.33 4.12 0.00 3.20 3.26 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 0.00 9 E 8.37 4.05 0.00 2.33 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 0.00 2.52 2.70 0.00 10 R 7.85 3.89 0.00 1.83 2.08 0.00 3.36 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 11 Q 8.07 3.97 0.00 1.59 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.47 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 12 H 8.11 4.76 0.00 1.84 2.64 0.00 5.60 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.81 4.71 0.00 1.98 2.18 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.64 0.00 14 D 8.68 4.83 0.00 2.77 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 15 S 8.25 4.29 0.00 3.93 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 16 S 8.35 4.28 0.00 3.87 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 17 T 7.62 4.43 4.09 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 0.00 0.00 0.00 1.23 0.00 0.00 18 S 8.34 4.13 0.00 3.97 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 S 7.68 4.28 0.00 4.07 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 23 S 8.56 4.24 0.00 4.03 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.80 4.71 0.00 2.84 2.84 0.00 0.00 6.62 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 25 Y 7.80 4.02 0.00 3.23 3.02 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 26 C 8.78 4.19 0.00 3.14 3.11 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 27 N 8.21 4.43 0.00 2.93 2.91 0.00 0.00 7.15 7.74 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 28 Q 7.89 3.83 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.62 0.00 29 M 7.86 3.90 0.00 0.77 1.21 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.51 0.00 30 M 8.13 4.02 0.00 1.67 1.90 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.40 0.00 31 K 7.81 4.02 0.00 1.99 1.90 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.29 7.81 32 S 8.35 4.20 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 33 R 7.76 4.48 0.00 1.94 2.11 0.00 3.65 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.93 0.00 34 N 7.83 4.20 0.00 2.88 2.90 0.00 0.00 6.84 7.99 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 35 L 8.11 4.58 0.00 1.78 1.62 0.78 0.38 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 36 T 7.37 5.59 4.39 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 1.42 0.00 0.00 37 K 8.53 4.15 0.00 1.81 1.95 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.47 1.49 7.81 38 D 8.01 4.51 0.00 2.64 2.68 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 0.00 0.00 0.00 39 R 7.21 3.72 0.00 1.75 1.79 0.00 2.90 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.49 0.00 40 C 8.80 4.92 0.00 3.11 3.16 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 41 K 8.38 4.04 0.00 1.86 1.79 0.00 1.80 0.00 0.00 1.61 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.44 7.81 42 P 0.00 4.58 0.00 2.15 2.15 0.00 3.63 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 43 V 7.54 5.17 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 0.73 0.00 0.00 0.96 0.00 0.00 44 N 8.72 4.73 0.00 2.61 2.26 0.00 0.00 7.07 7.30 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 45 T 7.81 4.84 2.87 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 0.74 0.00 0.00 46 F 8.85 4.87 0.00 2.97 2.84 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 47 V 9.03 4.46 2.15 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 1.11 0.00 0.00 1.06 0.00 0.00 48 H 8.58 5.64 0.00 3.11 3.46 0.00 5.61 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.68 4.81 0.00 1.95 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 0.00 2.25 2.27 0.00 50 S 8.38 4.36 0.00 4.07 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 51 L 8.57 4.00 0.00 1.83 1.75 1.02 1.28 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 52 A 7.99 4.01 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 53 D 7.86 4.36 0.00 2.89 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 54 V 7.86 3.83 2.21 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 1.26 0.00 0.00 1.11 0.00 0.00 55 Q 8.60 3.95 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 56 A 8.10 4.05 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 57 V 7.69 3.55 2.14 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 1.02 0.00 0.00 1.01 0.00 0.00 58 C 7.77 3.85 0.00 2.90 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 59 S 7.55 4.65 0.00 3.94 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 60 Q 7.41 4.46 0.00 1.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 61 K 7.66 4.15 0.00 1.59 1.66 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.45 7.81 62 N 8.82 4.54 0.00 2.85 2.69 0.00 0.00 7.00 7.71 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 63 V 8.49 4.59 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 0.71 0.00 0.00 0.84 0.00 0.00 64 A 8.39 4.13 1.19 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 65 C 8.80 4.68 0.00 3.15 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 66 K 8.86 3.68 0.00 1.74 1.88 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.51 7.81 67 N 8.06 4.53 0.00 2.79 2.90 0.00 0.00 6.27 7.00 0.00 0.00 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 G 8.22 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 69 Q 8.63 4.23 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.69 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 70 T 8.26 4.48 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 1.18 0.00 0.00 71 N 7.74 4.93 0.00 3.11 3.18 0.00 0.00 6.04 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 72 C 7.39 5.36 0.00 2.98 2.84 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 73 Y 8.92 5.16 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.03 5.05 0.00 1.98 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 75 S 8.68 4.40 0.00 3.92 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 76 Y 9.08 4.44 0.00 3.06 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 77 S 7.80 4.92 0.00 3.89 3.79 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 0.00 0.00 0.00 0.00 78 T 8.05 4.14 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 1.05 0.00 0.00 79 M 9.08 5.04 0.00 1.94 2.00 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 2.53 2.48 0.00 80 S 9.32 4.86 0.00 3.92 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 81 I 9.07 5.15 1.92 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 1.28 0.77 0.99 0.00 0.00 82 T 8.84 5.06 4.38 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 1.28 0.00 0.00 83 D 9.27 5.13 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.30 5.47 0.00 2.81 2.84 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 85 R 8.57 5.24 0.00 1.87 1.81 0.00 3.12 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 1.55 1.58 0.00 86 E 9.06 4.19 0.00 1.92 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 0.00 2.14 1.94 0.00 87 T 8.29 4.32 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 1.19 0.00 0.00 88 G 8.46 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.89 4.18 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 90 S 7.34 4.14 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 91 K 8.34 4.58 0.00 1.77 1.66 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.61 1.33 7.81 92 Y 8.79 4.43 0.00 2.89 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 93 P 0.00 3.48 0.00 1.78 1.22 0.00 3.68 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 94 N 7.59 4.64 0.00 2.82 2.78 0.00 0.00 6.93 7.01 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 95 C 7.98 4.30 0.00 3.14 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 96 A 8.90 5.13 1.13 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 0.00 0.00 97 Y 9.59 5.14 0.00 2.78 2.87 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 98 K 9.12 4.52 0.00 1.86 1.74 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.44 7.81 99 T 8.63 4.59 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 1.30 0.00 0.00 100 T 8.69 4.57 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 1.23 0.00 0.00 101 Q 8.76 4.75 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 102 A 8.34 4.47 1.23 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 0.00 0.00 103 N 8.85 5.36 0.00 2.56 2.75 0.00 0.00 6.70 7.61 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 0.00 104 K 8.73 4.78 0.00 1.74 1.97 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.44 7.81 105 H 9.26 4.86 0.00 3.16 3.21 0.00 5.59 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.51 4.81 1.80 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 1.14 0.00 0.00 107 I 8.21 4.86 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.68 0.77 0.00 0.00 108 V 8.66 4.74 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 0.70 0.00 0.00 0.82 0.00 0.00 109 A 8.75 5.08 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 0.00 110 C 8.80 5.16 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.64 4.71 0.00 1.85 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 2.28 2.24 0.00 112 G 9.39 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 0.00 113 N 8.22 5.03 0.00 2.65 2.71 0.00 0.00 6.91 7.69 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 0.00 114 P 0.00 4.30 0.00 2.23 2.06 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 115 Y 8.35 4.85 0.00 2.81 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 0.00 116 V 8.18 4.44 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 0.69 0.00 0.00 0.94 0.00 0.00 117 P 0.00 4.47 0.00 0.49 1.05 0.00 3.33 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 118 V 8.59 4.48 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 0.58 0.00 0.00 0.95 0.00 0.00 119 H 7.90 5.04 0.00 3.27 3.11 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.68 4.69 0.00 2.64 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 0.00 121 D 8.34 4.56 0.00 2.60 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 0.00 122 A 6.46 4.56 1.16 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 0.00 123 S 8.79 5.09 0.00 3.95 4.09 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 0.00 0.00 0.00 0.00 124 V 8.95 4.14 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 0.70 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.