NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.5632 8.4201 119.2028 53.2963 41.2028 174.5544 0 A 4.1971 7.4985 120.8754 51.1904 20.6582 174.4886 2 T 4.5918 9.1798 116.6054 61.9495 72.4188 171.7659 3 I 4.7664 8.9320 128.0506 59.2869 39.9521 174.7156 4 A 4.7816 8.7456 130.0635 51.0984 20.1586 176.0226 5 V 4.9842 8.9201 123.2036 60.9438 34.2370 174.8875 6 D 5.3989 9.3003 128.0285 54.3508 41.8367 174.2512 7 F 4.7175 8.9202 121.8163 59.8247 40.8814 174.7361 8 D 4.2364 7.8033 120.9340 55.4099 41.1988 177.1979 9 G 4.0157 8.9327 113.1110 46.7893 0.0000 173.2734 10 T 4.5107 7.6326 112.8180 65.1569 70.8276 175.2828 11 I 4.3160 8.2156 121.6205 62.5511 38.2118 176.1550 12 V 4.7545 6.6056 111.2507 58.6738 35.6576 175.3151 13 E 4.1760 9.0459 122.2253 57.2868 30.7706 176.5647 14 H 4.6069 8.7764 122.7804 55.6277 29.9311 174.4248 15 R 4.6725 8.2417 124.4142 55.5371 31.4217 174.9732 16 Y 4.6546 8.6943 118.2576 56.8026 38.9270 174.7707 17 P 3.1141 0.0000 0.0000 63.8927 31.3950 176.4975 18 R 4.2789 7.8401 119.5222 55.5690 31.2627 174.7513 19 I 4.5190 8.0004 119.4102 59.6049 38.8321 176.6692 20 G 4.0854 7.9837 113.7005 43.5675 0.0000 172.6291 21 E 4.2765 8.3440 117.8720 56.0547 30.6810 176.6708 22 E 4.5202 8.8045 123.3023 56.2443 30.8070 176.5393 23 I 3.9837 8.7560 128.3107 60.5126 38.3758 173.8884 24 P 3.9610 0.0000 0.0000 64.4307 31.7624 176.0117 25 F 3.7920 8.3484 118.8113 58.4900 36.7626 176.8168 26 A 2.0000 7.7732 123.9329 54.6277 17.9491 180.6502 27 V 3.3604 8.2520 116.4110 66.0680 31.6550 177.6399 28 E 3.8491 8.1409 118.4987 59.9669 29.2795 178.9440 29 T 3.8035 7.7997 115.3975 66.4059 68.4998 176.9142 30 L 4.0432 7.7701 121.0067 57.7040 41.5672 179.6688 31 K 3.9174 8.3128 118.8672 59.3045 31.9183 178.9671 32 L 3.9155 8.0923 120.7592 58.2432 41.9754 179.0923 33 L 4.1961 8.1269 118.7923 57.9820 41.5478 179.3217 34 Q 4.2822 8.2000 119.3168 58.5475 28.4625 178.8187 35 Q 4.0333 8.1171 119.3113 59.1434 29.0639 177.5109 36 E 4.3158 7.6521 116.2204 56.1294 29.6158 177.2313 37 K 4.0807 8.1241 118.0367 56.6329 29.9917 176.2171 38 H 4.5531 7.8962 116.4848 55.8327 30.2688 174.4209 39 R 4.6838 8.4461 119.5842 54.8640 32.4112 175.0831 40 L 5.3097 8.6141 122.8835 53.2146 44.4018 175.1865 41 I 5.0644 8.8220 125.0119 59.1129 40.2393 174.8281 42 L 4.1021 8.3317 130.0181 54.8289 43.2600 175.5757 43 W 5.9124 9.4163 135.0000 55.7951 32.5603 173.2575 44 S 4.8488 9.4166 120.1988 56.0952 64.8449 174.5181 45 V 3.5788 8.3849 118.0337 63.3202 31.6711 177.1766 46 R 4.0818 7.6729 119.4913 56.7920 30.0689 175.7151 47 E 4.7464 8.1953 120.2619 55.0090 34.6715 176.1396 48 G 4.0555 8.5159 107.4363 46.7320 0.0000 175.9503 49 E 4.1367 8.6467 118.3786 59.1525 29.5484 178.9003 50 L 3.9604 7.8519 119.0999 57.2506 41.6679 178.9228 51 L 3.8449 7.5879 119.2022 58.2460 42.0699 178.5029 52 D 4.3850 8.1461 118.8599 57.7011 40.8187 178.8090 53 E 4.0055 8.4867 118.8088 59.4696 29.4582 179.3991 54 A 3.5032 7.6439 120.1762 54.9672 18.2831 179.8189 55 I 3.8120 8.0650 118.7604 64.6244 37.1066 178.5894 56 E 4.0847 8.7101 119.9686 59.0414 27.9336 179.0715 57 W 4.0903 8.4142 128.5223 60.6985 30.6641 177.9288 58 C 4.4090 8.5723 116.6398 62.8621 27.6391 175.7486 59 R 3.9021 8.6267 120.4443 59.6484 29.4045 178.3022 60 A 4.0475 8.1038 118.9052 54.0743 18.2745 178.6958 61 R 4.3189 6.7274 115.0508 55.1796 30.4605 176.4524 62 G 3.7224 8.0155 106.4410 46.2442 0.0000 173.5145 63 L 4.3711 7.9351 122.0276 52.6492 42.9922 175.2363 64 E 4.5314 8.2411 126.2570 54.1816 32.3671 174.7628 65 F 4.7839 8.4901 123.9647 56.1014 40.6714 175.2136 66 Y 4.2838 8.8329 125.6892 60.7820 38.8928 175.9889 67 A 4.3496 7.7204 119.2088 51.4540 22.3234 174.4199 68 A 4.8829 8.0225 121.4245 51.3070 20.4334 175.9185 69 N 4.6624 9.5094 119.7451 54.6566 36.9223 174.4938 70 K 4.7053 7.4158 114.1203 54.6295 36.0997 176.5201 71 D 4.4929 9.3891 120.7902 56.7532 41.2157 176.7689 72 Y 4.7518 6.8888 114.3353 55.3556 40.0636 173.3404 73 P 4.4915 0.0000 0.0000 64.2901 31.2981 176.5253 74 E 4.7143 8.4464 117.7143 55.6404 30.9405 175.2594 75 E 3.8604 8.2687 118.4018 56.9878 30.5062 176.5787 *79 H 4.5548 8.1713 114.2810 56.0259 28.5062 171.4794 80 Q 4.5476 8.3932 115.1831 56.7539 31.1935 175.7219 81 G 4.2481 7.9454 108.2922 43.9160 0.0000 172.6695 82 F 4.2713 8.4236 121.4926 57.9934 40.0378 174.2726 83 S 4.5872 7.2277 119.5483 56.2935 65.9751 174.0793 84 R 3.8016 8.5490 122.8516 59.1354 30.1500 177.1940 85 K 4.4348 7.7701 118.0271 55.5294 32.8928 176.3135 86 L 3.8351 7.7112 125.5865 55.2998 41.9050 176.8606 87 K 4.3123 9.0913 120.7767 56.2331 31.9859 177.1144 88 A 3.8451 7.4837 121.8038 52.7839 18.4911 178.1007 89 D 4.6098 8.6164 119.6592 56.0420 41.8498 176.7871 90 L 4.7393 7.2801 119.2147 53.4039 45.9664 174.3441 91 F 5.2895 8.9413 122.8759 55.7591 41.9769 174.4083 92 I 4.5352 9.0754 125.1669 59.7441 39.5674 174.3510 93 D 5.0901 8.4333 126.4778 52.9359 44.4778 175.6956 94 D 4.4942 9.0934 124.8701 55.3895 39.7402 177.5916 95 R 4.5147 8.1332 118.0940 55.8253 30.5435 176.2529 96 N 4.4021 8.0335 117.8108 52.9184 39.0570 174.9977 97 V 3.6861 8.2001 122.1045 63.4220 31.6513 176.7486 98 G 3.6015 8.7187 110.6777 44.3847 0.0000 174.0264 99 G 4.0552 7.8763 106.5565 45.1189 0.0000 172.9687 100 I 4.3810 7.9241 112.7799 58.6011 39.1061 174.1569 101 P 4.7011 0.0000 0.0000 61.3207 33.1766 174.9207 102 D 4.6355 8.2729 117.4272 52.5809 40.1828 177.2347 103 W 4.3352 9.0705 119.7179 59.6429 28.8978 178.6636 104 G 3.9365 7.8147 106.4251 48.3669 0.0000 175.7451 105 I 3.8011 7.9042 121.0396 63.5528 37.2020 178.0976 106 I 3.7036 7.6912 119.5031 64.5768 37.1691 177.1965 107 Y 4.3435 8.3974 120.2056 60.6829 38.6325 178.6989 108 E 3.7825 8.0598 118.4220 56.8813 30.1533 178.4967 *110 I 3.9448 7.7032 118.8489 60.7603 39.1709 178.0477 111 K 3.8062 7.9967 120.0023 59.1881 31.8834 177.3553 112 E 4.2637 8.2865 115.1611 55.2634 29.9623 176.2556 113 K 3.7712 7.3072 116.1005 56.9822 29.4711 174.1406 114 K 4.7861 7.4920 117.2779 53.9146 36.5606 176.9846 115 T 4.4477 8.4731 112.9929 60.2863 71.9341 175.9258 116 F 4.0924 8.7944 119.5927 60.7252 38.7474 177.6783 117 A 4.1261 8.2393 119.7393 55.4508 18.0367 178.8317 118 D 4.3351 7.9346 115.6560 57.8169 41.0524 178.7985 119 I 3.6966 7.5111 118.6257 65.0994 37.2530 177.7720 120 Y 4.3421 8.0808 115.9557 59.4229 37.9971 176.8040 121 S 4.3364 8.1630 115.9526 58.1074 63.6645 174.1698 122 Q 4.1956 8.5914 122.0509 56.1766 28.4979 175.0687 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 N 8.42 4.56 0.00 2.68 2.80 0.00 0.00 6.97 7.08 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 A 7.50 4.20 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 2 T 9.18 4.59 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 1.10 0.00 0.00 3 I 8.93 4.77 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.74 0.97 0.00 0.00 4 A 8.75 4.78 0.89 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 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.92 4.98 2.39 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 1.45 0.00 0.00 1.21 0.00 0.00 6 D 9.30 5.40 0.00 2.95 2.67 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 7 F 8.92 4.72 0.00 3.06 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 8 D 7.80 4.24 0.00 2.46 2.32 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 9 G 8.93 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 10 T 7.63 4.51 4.57 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 1.51 0.00 0.00 11 I 8.22 4.32 1.81 0.00 0.00 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 1.51 1.19 1.13 0.00 0.00 12 V 6.61 4.75 1.71 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 -0.31 0.00 0.00 -0.18 0.00 0.00 13 E 9.05 4.18 0.00 1.79 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 2.48 2.41 0.00 14 H 8.78 4.61 0.00 3.12 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.24 4.67 0.00 1.81 1.84 0.00 3.37 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 16 Y 8.69 4.65 0.00 3.01 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 17 P 0.00 3.11 0.00 1.92 1.64 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.85 0.00 18 R 7.84 4.28 0.00 2.06 1.90 0.00 3.07 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 19 I 8.00 4.52 1.82 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.61 0.29 0.00 0.00 20 G 7.98 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 0.00 0.00 0.00 21 E 8.34 4.28 0.00 1.92 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 2.42 2.27 0.00 22 E 8.80 4.52 0.00 2.33 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 2.34 2.71 0.00 23 I 8.76 3.98 2.17 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 1.33 1.32 1.19 0.00 0.00 24 P 0.00 3.96 0.00 2.23 1.86 0.00 3.92 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 25 F 8.35 3.79 0.00 3.37 3.14 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 26 A 7.77 2.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.25 3.36 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 0.96 0.00 0.00 1.05 0.00 0.00 28 E 8.14 3.85 0.00 2.05 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 2.37 2.39 0.00 29 T 7.80 3.80 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 1.58 0.00 0.00 30 L 7.77 4.04 0.00 1.72 1.69 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.31 3.92 0.00 1.90 1.81 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.35 7.81 32 L 8.09 3.92 0.00 1.73 1.77 0.92 0.22 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 33 L 8.13 4.20 0.00 2.05 1.85 1.16 0.87 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 34 Q 8.20 4.28 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 35 Q 8.12 4.03 0.00 2.18 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 36 E 7.65 4.32 0.00 2.10 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 2.50 2.59 0.00 37 K 8.12 4.08 0.00 1.79 2.01 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.49 7.81 38 H 7.90 4.55 0.00 3.27 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.45 4.68 0.00 1.59 1.64 0.00 2.64 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.41 0.00 40 L 8.61 5.31 0.00 1.84 1.96 0.96 0.93 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 41 I 8.82 5.06 1.83 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 1.35 0.94 0.95 0.00 0.00 42 L 8.33 4.10 0.00 0.27 1.09 0.80 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 43 W 9.42 5.91 0.00 3.29 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 44 S 9.42 4.85 0.00 3.86 3.61 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 45 V 8.38 3.58 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 0.54 0.00 0.00 0.69 0.00 0.00 46 R 7.67 4.08 0.00 1.82 2.00 0.00 3.15 0.00 0.00 3.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.83 0.00 47 E 8.20 4.75 0.00 1.95 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 0.00 2.48 2.22 0.00 48 G 8.52 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 0.00 0.00 0.00 49 E 8.65 4.14 0.00 1.98 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 2.40 2.34 0.00 50 L 7.85 3.96 0.00 1.84 1.70 0.73 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.59 3.84 0.00 1.87 1.84 0.85 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.15 4.38 0.00 2.95 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 53 E 8.49 4.01 0.00 2.17 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 0.00 2.36 2.44 0.00 54 A 7.64 3.50 0.34 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 55 I 8.07 3.81 2.02 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 1.62 0.53 1.00 0.00 0.00 56 E 8.71 4.08 0.00 2.14 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 2.36 2.48 0.00 57 W 8.41 4.09 0.00 3.63 3.51 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 0.00 0.00 0.00 0.00 58 C 8.57 4.41 0.00 3.48 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 59 R 8.63 3.90 0.00 1.90 2.11 0.00 3.31 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 60 A 8.10 4.05 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 61 R 6.73 4.32 0.00 1.66 1.68 0.00 2.21 0.00 0.00 2.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.16 0.00 62 G 8.02 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 63 L 7.94 4.37 0.00 1.43 1.63 0.53 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.24 4.53 0.00 1.84 1.71 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 2.18 2.27 0.00 65 F 8.49 4.78 0.00 3.19 3.32 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 66 Y 8.83 4.28 0.00 2.93 3.25 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 67 A 7.72 4.35 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.02 4.88 1.22 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 0.00 0.00 69 N 9.51 4.66 0.00 2.93 3.14 0.00 0.00 6.82 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 70 K 7.42 4.71 0.00 1.70 1.62 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.62 7.81 71 D 9.39 4.49 0.00 2.51 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 72 Y 6.89 4.75 0.00 3.16 3.21 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 0.00 73 P 0.00 4.49 0.00 1.97 2.02 0.00 3.47 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 74 E 8.45 4.71 0.00 2.00 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 2.26 2.45 0.00 75 E 8.27 3.86 0.00 1.88 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 1.47 1.92 0.00 *79 H 8.17 4.55 0.00 2.82 3.14 0.00 5.64 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.39 4.55 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.51 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 81 G 7.95 4.25 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 0.00 0.00 0.00 82 F 8.42 4.27 0.00 2.96 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 83 S 7.23 4.59 0.00 3.86 3.68 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 84 R 8.55 3.80 0.00 1.89 2.05 0.00 3.33 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 85 K 7.77 4.43 0.00 1.83 1.71 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.51 1.63 7.81 86 L 7.71 3.84 0.00 1.00 1.08 0.14 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 87 K 9.09 4.31 0.00 1.65 1.79 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.53 7.81 88 A 7.48 3.85 0.56 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 0.00 0.00 89 D 8.62 4.61 0.00 2.55 2.69 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 90 L 7.28 4.74 0.00 1.64 1.34 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.94 5.29 0.00 2.96 3.05 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 0.00 0.00 0.00 92 I 9.08 4.54 2.04 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 1.13 0.93 0.71 0.00 0.00 93 D 8.43 5.09 0.00 2.84 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 94 D 9.09 4.49 0.00 2.90 3.05 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 0.00 0.00 0.00 95 R 8.13 4.51 0.00 1.89 1.96 0.00 3.11 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 96 N 8.03 4.40 0.00 2.90 2.79 0.00 0.00 6.72 7.04 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 97 V 8.20 3.69 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 0.66 0.00 0.00 0.87 0.00 0.00 98 G 8.72 3.60 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 0.00 0.00 0.00 99 G 7.88 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 0.00 0.00 0.00 100 I 7.92 4.38 1.73 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.60 0.99 0.00 0.00 101 P 0.00 4.70 0.00 2.24 2.38 0.00 3.69 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 102 D 8.27 4.64 0.00 3.09 2.95 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 0.00 103 W 9.07 4.34 0.00 3.61 3.44 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 0.00 104 G 7.81 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 0.00 0.00 0.00 105 I 7.90 3.80 1.93 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 1.39 0.38 0.71 0.00 0.00 106 I 7.69 3.70 1.95 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.16 0.89 0.00 0.00 107 Y 8.40 4.34 0.00 3.24 3.23 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 0.00 108 E 8.06 3.78 0.00 2.09 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 2.21 2.29 0.00 *110 I 7.70 3.94 1.74 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.12 0.76 0.00 0.00 111 K 8.00 3.81 0.00 0.88 1.40 0.00 1.53 0.00 0.00 1.51 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.20 1.29 7.81 112 E 8.29 4.26 0.00 1.93 1.89 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 0.00 2.30 2.33 0.00 113 K 7.31 3.77 0.00 1.87 1.78 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.34 7.81 114 K 7.49 4.79 0.00 1.57 1.55 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.50 7.81 115 T 8.47 4.45 4.33 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 1.23 0.00 0.00 116 F 8.79 4.09 0.00 3.15 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.24 4.13 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 0.00 118 D 7.93 4.34 0.00 2.80 2.74 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 0.00 119 I 7.51 3.70 1.75 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.45 0.33 0.00 0.00 120 Y 8.08 4.34 0.00 3.03 3.05 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 0.00 0.00 0.00 121 S 8.16 4.34 0.00 3.99 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 0.00 122 Q 8.59 4.20 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.