NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9132 8.2085 109.7413 45.1311 0.0000 174.1136 5 A 3.8040 8.7803 130.3112 53.9353 18.5076 176.1937 6 D 4.9379 8.1081 113.6123 54.5060 43.3185 176.6804 7 R 4.2112 8.0586 121.1030 58.7437 29.7082 178.0648 8 F 4.2080 8.2287 119.4588 61.0770 39.3800 176.6454 9 L 4.0524 8.1211 118.9062 57.5982 40.9290 179.0362 10 E 3.9574 8.1633 118.1054 59.4825 29.1673 179.0020 11 E 4.0814 7.5666 116.5735 57.8275 30.7626 177.4346 12 L 4.5429 7.1376 120.0796 51.1355 41.7960 174.8017 13 P 4.1972 0.0000 0.0000 66.1319 31.3345 178.0520 14 E 4.3962 7.9493 120.5143 58.1951 29.6896 179.0903 15 V 3.8800 7.9989 113.0426 63.4080 31.7810 178.3186 16 A 4.0832 8.2563 121.2699 55.2290 18.2040 179.5629 17 E 4.0452 8.2591 116.5138 59.5696 29.5623 179.4261 18 S 4.2491 8.1642 114.6973 60.9486 63.0176 176.2076 19 F 4.3528 8.3585 124.6055 60.8710 39.0994 177.4465 20 K 3.9178 8.0488 118.0959 59.4204 31.8422 179.0249 21 N 4.3217 8.1524 116.7374 56.1493 38.4645 177.3105 22 F 4.1646 7.9778 121.8488 61.1951 39.4490 177.0841 23 R 3.2803 7.6598 118.4689 59.1448 29.7608 177.9252 24 E 3.7708 8.5384 118.9938 59.2266 29.7506 178.4244 25 A 3.9402 8.2210 121.3353 55.3478 18.2186 180.0751 26 V 3.4826 7.2451 116.0769 64.9019 31.4845 178.5430 27 R 3.9925 7.9243 118.5037 58.1128 29.9935 178.0352 28 S 4.5307 7.9379 111.9634 56.9693 63.9843 174.0766 29 E 3.8056 7.4853 123.7807 57.1845 29.1294 176.9990 30 G 3.8444 8.6340 113.4113 46.5466 0.0000 175.3188 31 K 4.1013 7.8428 118.0050 58.0384 32.2942 176.9590 32 L 4.8509 6.9745 118.5198 52.2612 44.9657 177.0101 33 T 4.1763 8.7614 112.3091 61.3291 70.8912 175.4658 34 E 3.8813 8.6049 122.2643 59.3321 29.6026 178.8345 35 R 3.8755 7.9734 118.2510 59.7068 30.0556 178.1760 36 E 3.9468 8.2492 118.1256 59.4300 29.4595 179.5981 37 K 3.9460 8.0574 118.4703 59.0971 32.1150 179.2301 38 L 3.9954 7.9813 120.9351 57.9091 42.0103 178.9268 39 L 4.0070 8.1716 119.2594 57.8250 41.5167 179.5800 40 I 3.7192 8.0474 120.0463 64.3607 37.0498 178.5602 41 S 4.0122 8.0331 116.0595 61.5344 62.7555 177.0741 42 V 3.5386 7.7160 120.3014 65.9628 31.3735 177.8490 43 A 4.0126 8.0717 120.5492 55.5881 18.1481 179.4790 44 C 4.1713 8.5603 115.5240 62.9472 28.0628 176.5236 45 S 4.1427 8.0934 116.8842 61.3197 62.4607 176.8337 46 V 3.6121 7.8034 120.6571 65.5515 31.0705 177.9743 47 A 3.9525 7.7901 120.8019 55.2816 18.2591 178.6655 48 V 3.7395 7.9236 112.7265 63.1330 32.1086 175.5934 49 R 3.6890 7.4598 116.5448 58.3864 27.7822 176.5975 50 C 4.7316 8.2583 118.8504 54.6652 43.1711 173.2682 51 D 4.2936 8.8321 127.0767 57.4133 40.8365 177.8121 52 A 3.9709 7.9187 120.5555 55.4074 18.4051 180.0945 53 C 4.2002 8.1301 114.4953 60.4182 40.9479 176.2793 54 T 3.8566 8.0124 117.2049 66.6760 67.9830 176.7055 55 R 3.8899 7.9248 119.8129 59.2978 30.1491 178.8523 56 R 3.8422 7.8153 118.1332 60.0967 30.0140 178.2984 57 H 4.2590 8.3531 115.6662 58.7229 28.5835 177.8009 58 A 3.9880 8.3310 122.9896 55.0583 18.2374 179.2914 59 E 3.8752 8.5751 118.2946 59.3996 29.2687 178.9849 60 E 3.9642 8.2640 118.5265 59.2898 29.5632 178.9832 61 A 4.0232 8.2033 121.0503 55.1288 18.2827 179.7674 62 L 4.1461 8.0480 118.7435 57.6166 41.6382 179.4989 63 E 3.9902 8.0872 116.1924 58.3144 29.4698 178.1093 64 A 4.6009 7.2867 118.5520 51.2924 19.8970 177.2289 65 G 4.0138 8.2080 105.5872 44.9988 0.0000 174.4191 66 I 3.9182 7.7872 122.0760 61.0729 37.8172 175.9487 67 T 4.2719 8.2407 119.2961 61.5269 69.4532 175.3385 68 E 4.2153 8.6352 122.6058 58.4611 29.5082 179.7421 69 G 3.5596 7.8143 106.7684 47.8224 0.0000 175.7912 70 E 4.0934 8.0934 120.4260 58.5983 29.5649 178.9541 71 L 4.0004 7.6827 120.8114 57.8941 42.0590 178.7523 72 A 4.0381 8.1919 121.0365 54.9312 18.3014 179.2430 73 E 3.8569 8.1111 117.5625 59.3156 29.6322 178.9344 74 A 3.9937 7.8603 120.4225 54.9411 18.4307 179.4899 75 A 3.9205 8.0846 119.1646 55.2666 18.4220 179.6310 76 A 3.9531 8.2605 119.6644 55.2866 18.3816 180.0437 77 V 3.4955 7.8152 116.4151 66.1168 31.6453 178.0970 78 A 3.9878 7.8887 119.9677 55.0797 18.1950 179.4899 79 A 3.9404 8.0613 119.2948 55.1939 18.4957 179.6342 80 L 3.9208 8.1276 118.9914 58.4323 42.1410 179.3295 81 I 3.8532 7.9641 119.8084 64.2065 36.7600 178.5549 82 R 3.8966 7.8748 118.0214 59.2830 30.0949 178.6978 83 A 4.2408 8.1771 120.5699 55.0894 18.2313 179.8457 84 G 3.6533 8.4402 103.7998 47.9996 0.0000 175.7012 85 S 4.3705 8.4164 116.1564 60.6274 63.1441 176.3540 86 A 4.3127 7.6305 124.4535 52.4345 17.9240 178.6527 *88 N 4.6856 8.2954 120.0288 55.5869 40.8824 176.6883 89 T 4.0572 7.6716 114.4277 66.2902 68.5568 176.6223 90 A 4.0681 8.2110 123.0158 54.7727 18.2219 179.2515 91 S 4.5642 7.8302 110.6745 60.3432 62.9616 175.5330 92 A 4.3154 7.7585 123.8432 53.3844 18.3142 178.7894 93 I 3.6230 7.2141 111.2149 62.2784 38.0516 176.5600 94 F 4.5700 6.6992 119.1480 56.5806 39.7999 175.8031 95 R 4.1572 8.6148 121.4402 56.6889 29.9049 176.6667 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 4 G 8.21 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.78 3.80 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 6 D 8.11 4.94 0.00 2.77 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 7 R 8.06 4.21 0.00 1.91 2.08 0.00 3.16 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 8 F 8.23 4.21 0.00 3.04 3.06 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 9 L 8.12 4.05 0.00 1.97 1.73 1.11 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.16 3.96 0.00 2.14 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 0.00 2.40 2.58 0.00 11 E 7.57 4.08 0.00 1.89 1.88 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 2.47 2.43 0.00 12 L 7.14 4.54 0.00 1.45 1.44 0.70 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.20 0.00 2.24 2.31 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 14 E 7.95 4.40 0.00 2.05 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 2.38 2.27 0.00 15 V 8.00 3.88 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 0.99 0.00 0.00 0.93 0.00 0.00 16 A 8.26 4.08 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 17 E 8.26 4.05 0.00 2.26 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 2.54 2.35 0.00 18 S 8.16 4.25 0.00 4.16 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 0.00 19 F 8.36 4.35 0.00 3.38 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.05 3.92 0.00 2.04 1.86 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.92 1.69 7.81 21 N 8.15 4.32 0.00 3.04 2.90 0.00 0.00 6.68 8.13 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 22 F 7.98 4.16 0.00 2.92 3.06 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 23 R 7.66 3.28 0.00 1.35 1.77 0.00 3.12 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 24 E 8.54 3.77 0.00 2.06 2.06 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 2.28 2.33 0.00 25 A 8.22 3.94 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 26 V 7.25 3.48 1.67 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 0.31 0.00 0.00 0.75 0.00 0.00 27 R 7.92 3.99 0.00 1.94 1.97 0.00 3.10 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 28 S 7.94 4.53 0.00 3.95 4.17 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 29 E 7.49 3.81 0.00 2.10 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 2.30 2.40 0.00 30 G 8.63 3.84 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 0.00 31 K 7.84 4.10 0.00 1.91 1.88 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.47 7.81 32 L 6.97 4.85 0.00 1.75 1.51 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.76 4.18 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 1.27 0.00 0.00 34 E 8.60 3.88 0.00 2.04 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 2.36 2.35 0.00 35 R 7.97 3.88 0.00 1.91 1.91 0.00 3.23 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 36 E 8.25 3.95 0.00 2.16 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 2.32 2.34 0.00 37 K 8.06 3.95 0.00 1.94 1.81 0.00 1.61 0.00 0.00 1.53 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.51 7.81 38 L 7.98 4.00 0.00 2.03 1.64 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.17 4.01 0.00 1.89 1.69 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.05 3.72 1.97 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 1.51 0.82 0.89 0.00 0.00 41 S 8.03 4.01 0.00 3.92 3.49 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 42 V 7.72 3.54 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 1.02 0.00 0.00 1.00 0.00 0.00 43 A 8.07 4.01 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 44 C 8.56 4.17 0.00 2.99 2.99 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 45 S 8.09 4.14 0.00 4.08 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 46 V 7.80 3.61 2.24 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 1.01 0.00 0.00 0.95 0.00 0.00 47 A 7.79 3.95 1.35 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 0.00 0.00 48 V 7.92 3.74 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 0.80 0.00 0.00 0.98 0.00 0.00 49 R 7.46 3.69 0.00 2.04 1.98 0.00 3.17 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 50 C 8.26 4.73 0.00 2.91 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 51 D 8.83 4.29 0.00 2.82 2.65 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 52 A 7.92 3.97 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 53 C 8.13 4.20 0.00 3.13 3.22 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 54 T 8.01 3.86 4.40 0.00 0.00 0.00 0.00 0.00 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 55 R 7.92 3.89 0.00 1.98 1.98 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.97 0.00 56 R 7.82 3.84 0.00 1.94 1.94 0.00 3.02 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 57 H 8.35 4.26 0.00 3.22 3.31 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.33 3.99 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 59 E 8.58 3.88 0.00 2.19 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 0.00 2.30 2.39 0.00 60 E 8.26 3.96 0.00 2.26 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 0.00 2.33 2.55 0.00 61 A 8.20 4.02 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 62 L 8.05 4.15 0.00 1.95 1.73 1.05 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.09 3.99 0.00 2.09 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 2.63 2.48 0.00 64 A 7.29 4.60 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 65 G 8.21 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 66 I 7.79 3.92 2.01 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 1.12 0.91 0.00 0.00 67 T 8.24 4.27 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 1.30 0.00 0.00 68 E 8.64 4.22 0.00 2.05 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 2.40 2.37 0.00 69 G 7.81 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 0.00 0.00 0.00 70 E 8.09 4.09 0.00 2.02 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 2.36 0.00 71 L 7.68 4.00 0.00 1.95 1.71 0.92 0.97 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 72 A 8.19 4.04 1.37 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 73 E 8.11 3.86 0.00 2.07 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 0.00 2.30 2.37 0.00 74 A 7.86 3.99 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 75 A 8.08 3.92 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 76 A 8.26 3.95 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 77 V 7.82 3.50 2.23 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 1.00 0.00 0.00 0.96 0.00 0.00 78 A 7.89 3.99 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 79 A 8.06 3.94 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 80 L 8.13 3.92 0.00 1.84 1.87 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.96 3.85 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 1.52 0.29 0.92 0.00 0.00 82 R 7.87 3.90 0.00 2.04 2.00 0.00 3.33 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 83 A 8.18 4.24 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 84 G 8.44 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 0.00 0.00 0.00 85 S 8.42 4.37 0.00 4.07 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 86 A 7.63 4.31 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 *88 N 8.30 4.69 0.00 2.85 3.08 0.00 0.00 7.10 7.22 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 89 T 7.67 4.06 4.40 0.00 0.00 0.00 0.00 0.00 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 90 A 8.21 4.07 1.37 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 91 S 7.83 4.56 0.00 4.31 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 0.00 92 A 7.76 4.32 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 93 I 7.21 3.62 1.50 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.36 0.77 0.00 0.00 94 F 6.70 4.57 0.00 3.17 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 95 R 8.61 4.16 0.00 1.85 1.88 0.00 3.27 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 * Residues marked with a * may have inaccurate shift predictions.