NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3483 0.0000 0.0000 62.7294 32.6558 174.7436 2 Q 4.3539 8.4517 119.3957 53.7424 30.3313 172.8784 3 I 4.4344 8.1159 126.2258 59.6213 40.3102 175.2637 4 T 4.3163 8.3916 115.8450 61.0569 70.1190 174.2070 5 L 4.6512 7.5167 117.6761 54.2052 42.4406 178.0818 6 W 4.3573 7.8873 121.1748 58.7582 29.1702 176.2839 7 K 4.7535 7.7053 115.3708 53.7622 34.6036 175.9042 8 R 3.9773 8.4352 119.8062 56.4469 30.8322 176.3881 9 P 4.6602 0.0000 0.0000 61.9629 29.6735 174.3887 10 L 4.9367 7.6395 123.1557 54.8140 43.3849 177.1621 11 V 4.6217 8.7564 115.6852 59.8520 36.6146 174.4570 12 T 4.9025 8.4473 118.6940 62.8977 69.4941 174.5071 13 I 4.8449 9.0609 118.8385 59.1661 41.6028 174.2100 14 R 5.0679 8.6629 121.9786 54.5168 32.6444 175.2432 15 I 4.4431 8.7585 124.2457 60.0785 41.7335 175.1387 16 G 4.0070 9.6748 116.8409 46.4793 0.0000 174.6321 17 G 3.9503 8.4901 107.4676 44.9374 0.0000 174.0451 18 Q 4.6644 7.8367 118.8059 53.9512 31.0944 174.4453 19 L 4.9383 8.1656 120.4795 54.2729 43.0189 176.2100 20 K 4.7081 8.9715 121.1103 54.9209 37.2091 174.5199 21 E 5.0923 8.6842 122.1880 55.0403 31.1966 174.8226 22 A 4.8540 8.9631 126.7407 50.4797 23.6040 174.4775 23 L 4.7518 8.9469 122.6978 53.6566 43.7931 175.7309 24 L 4.4129 8.7242 127.5409 54.8830 42.2464 176.5056 25 D 4.8167 9.1200 125.6314 52.2192 42.3940 176.3989 26 T 3.9413 8.6675 116.5974 63.9193 69.0938 175.7329 27 G 3.7789 8.1468 109.4198 45.6193 0.0000 172.7240 28 A 4.6461 7.7379 123.0886 50.0589 20.8969 177.9179 29 D 4.3681 8.9445 122.7837 56.7848 42.4053 175.8565 30 D 5.5131 8.0188 116.0290 52.7103 45.5342 174.8118 31 T 4.9440 7.9320 116.2928 62.1259 70.8372 174.3793 32 V 4.8241 8.7255 125.8142 61.2692 34.6088 174.1489 33 I 5.0231 8.8886 129.0151 58.8759 40.2121 175.2411 34 E 4.5526 9.3588 123.6793 55.7722 30.1163 176.6877 35 E 3.8345 8.6943 119.9060 57.2642 29.9747 176.6184 *37 N 4.5239 8.6087 120.0868 53.1581 39.9190 173.8359 38 L 4.6605 7.8172 119.6308 51.9118 45.5593 174.9287 39 P 4.4629 0.0000 0.0000 64.1203 32.9971 175.7611 40 G 4.0108 8.3118 108.3500 44.0348 0.0000 176.0182 *42 W 4.7948 8.3055 121.6932 55.7651 29.1361 173.0249 43 K 4.6102 8.6551 118.1311 54.2807 35.6937 174.1177 44 P 5.0704 0.0000 0.0000 63.1408 31.9896 176.2109 45 K 4.2966 8.7043 125.1713 55.6113 36.3221 174.9344 *47 I 4.3002 8.4586 110.9338 60.7600 38.7146 174.6553 48 G 3.3807 8.0570 108.8853 43.4801 0.0000 172.9547 49 G 3.8692 8.1081 107.9593 44.3018 0.0000 172.8644 50 I 3.5699 8.5687 118.3924 63.5570 38.0073 177.9126 51 G 3.8725 8.3565 106.2473 44.7786 0.0000 172.6655 52 G 3.8192 6.7211 106.4623 44.4295 0.0000 172.7630 53 F 5.1095 8.7799 120.2393 55.7102 41.3174 174.7240 54 I 4.8405 8.3289 116.5468 59.0359 40.7549 174.8175 55 K 4.6450 8.6155 122.5691 56.1905 33.1689 176.5414 56 V 4.6503 8.8601 116.6629 59.8047 36.9269 174.2842 57 R 4.6189 8.7125 121.3021 54.8724 31.8880 175.5634 58 Q 4.7247 9.2857 126.6296 55.1923 30.4781 173.6012 59 Y 5.0515 9.0710 125.2839 56.6025 40.1389 175.0434 60 D 5.0521 8.9122 123.3259 52.7978 43.3799 175.8684 61 Q 3.4196 8.3105 116.6571 57.2051 26.3891 174.2777 62 I 4.3931 7.9213 118.7858 59.2578 39.2889 175.2733 63 P 4.9311 0.0000 0.0000 62.6063 32.1663 176.0755 64 V 4.5643 8.9808 123.9250 61.1210 35.2388 173.3793 65 E 4.9665 9.1455 129.0884 54.3540 31.4170 176.1311 66 I 4.5645 8.9130 128.8927 61.3255 37.8834 177.4031 *68 G 3.8856 8.1081 108.2144 45.1262 0.0000 172.9639 69 H 4.8411 8.2869 118.3352 53.7894 30.7115 173.8625 70 K 4.7193 8.4671 122.8776 55.9446 33.1275 176.0106 71 A 4.9256 8.9144 124.2970 50.5704 23.3591 175.3538 72 I 4.7813 9.1209 120.3118 60.7491 40.7561 175.0060 73 G 4.0827 8.3948 114.5698 46.4881 0.0000 171.4921 74 T 4.8080 8.7768 117.3172 63.5262 69.4985 174.5768 75 V 4.4379 8.9347 125.5687 61.1228 34.7950 174.0387 76 L 5.0666 8.9702 128.3958 53.5820 43.7568 175.6594 77 V 4.7397 8.7339 123.5977 61.1055 34.2678 175.1250 78 G 3.8139 8.2088 113.4452 45.2285 0.0000 170.6716 79 P 4.7563 0.0000 0.0000 62.3370 30.4828 176.4396 80 T 4.1386 7.3510 112.4843 61.6411 68.4938 172.4736 81 P 4.4345 0.0000 0.0000 65.0836 31.7226 176.8594 82 V 4.4838 7.2468 116.9506 59.4919 34.5738 174.2282 83 N 4.7761 8.7678 120.2434 53.5811 39.6188 173.8734 84 I 5.0040 9.1275 117.2641 59.1325 41.3320 174.3713 85 I 4.4954 8.9050 126.7615 60.2124 38.7424 175.7262 86 G 4.6058 8.3519 115.6070 43.8023 0.0000 174.1508 87 R 4.0540 8.9470 118.5189 58.8710 30.2050 179.2934 88 N 4.3780 7.9317 114.6899 55.2298 37.4617 176.4773 89 L 4.3972 7.7772 117.7326 56.1900 42.1675 178.6073 90 L 4.0168 8.1612 119.7162 57.9751 41.6537 179.5877 91 T 3.9757 8.0719 109.7394 64.9419 68.3980 176.6461 92 Q 4.0735 7.7001 120.2166 58.1044 28.7942 177.1094 93 I 3.9934 7.2316 109.5408 60.0223 37.9886 171.9214 94 G 3.6128 7.6312 117.5696 45.4676 0.0000 173.5173 *96 T 4.1192 8.0493 114.5313 61.1018 69.9126 173.1424 97 L 4.6969 8.1692 121.5630 53.5085 43.3089 176.1972 98 N 5.0833 8.4733 118.7516 51.7182 42.5478 174.5434 99 F 4.4809 8.1957 116.2778 57.3605 37.6150 173.9456 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 P 0.00 4.35 0.00 2.21 2.17 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.97 0.00 2 Q 8.45 4.35 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 3 I 8.12 4.43 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 1.48 0.80 0.91 0.00 0.00 4 T 8.39 4.32 4.22 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 1.31 0.00 0.00 5 L 7.52 4.65 0.00 1.27 1.46 0.79 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 6 W 7.89 4.36 0.00 3.34 3.27 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 7 K 7.71 4.75 0.00 1.76 1.73 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.54 7.81 8 R 8.44 3.98 0.00 1.80 1.88 0.00 3.20 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 1.63 1.64 0.00 9 P 0.00 4.66 0.00 2.10 2.19 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.96 0.00 10 L 7.64 4.94 0.00 1.55 1.75 0.92 0.92 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 11 V 8.76 4.62 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 0.77 0.00 0.00 0.93 0.00 0.00 12 T 8.45 4.90 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 1.23 0.00 0.00 13 I 9.06 4.84 1.93 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 1.38 0.74 0.91 0.00 0.00 14 R 8.66 5.07 0.00 1.75 1.85 0.00 3.10 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 15 I 8.76 4.44 1.84 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 1.09 1.49 0.87 0.00 0.00 16 G 9.67 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 17 G 8.49 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 0.00 0.00 0.00 18 Q 7.84 4.66 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 19 L 8.17 4.94 0.00 1.50 1.58 0.97 0.81 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 K 8.97 4.71 0.00 1.62 1.61 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.34 7.81 21 E 8.68 5.09 0.00 1.96 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 2.21 2.44 0.00 22 A 8.96 4.85 1.18 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 23 L 8.95 4.75 0.00 1.72 1.66 0.96 0.73 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 24 L 8.72 4.41 0.00 1.55 1.61 0.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 25 D 9.12 4.82 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.67 3.94 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 1.20 0.00 0.00 27 G 8.15 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 0.00 0.00 0.00 28 A 7.74 4.65 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 D 8.94 4.37 0.00 2.62 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 30 D 8.02 5.51 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.94 4.41 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 1.23 0.00 0.00 32 V 8.73 4.82 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 0.82 0.00 0.00 0.92 0.00 0.00 33 I 8.89 5.02 1.83 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 1.26 0.82 0.87 0.00 0.00 34 E 9.36 4.55 0.00 1.89 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 2.34 2.12 0.00 35 E 8.69 3.83 0.00 1.84 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 2.26 2.39 0.00 *37 N 8.61 4.52 0.00 2.72 2.80 0.00 0.00 6.81 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 38 L 7.82 4.66 0.00 0.27 0.95 0.46 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.46 0.00 2.06 2.01 0.00 3.55 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 40 G 8.31 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 *42 W 8.31 4.79 0.00 2.94 1.74 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 43 K 8.66 4.61 0.00 1.79 1.81 0.00 1.32 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.33 1.44 7.81 44 P 0.00 5.07 0.00 2.05 2.20 0.00 3.65 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.25 0.00 45 K 8.70 4.30 0.00 1.86 1.58 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.44 7.81 *47 I 8.46 4.30 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 1.37 0.53 0.94 0.00 0.00 48 G 8.06 3.38 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 0.00 49 G 8.11 3.87 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 0.00 0.00 0.00 50 I 8.57 3.57 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.70 0.88 0.00 0.00 51 G 8.36 3.87 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 0.00 0.00 0.00 52 G 6.72 3.82 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 0.00 0.00 0.00 53 F 8.78 5.11 0.00 3.01 3.01 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 54 I 8.33 4.84 1.88 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 1.21 0.67 0.91 0.00 0.00 55 K 8.62 4.65 0.00 1.69 1.81 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.51 7.81 56 V 8.86 4.65 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 0.74 0.00 0.00 0.96 0.00 0.00 57 R 8.71 4.62 0.00 1.37 0.81 0.00 2.52 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.91 0.00 58 Q 9.29 4.72 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 59 Y 9.07 5.05 0.00 3.12 2.88 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 60 D 8.91 5.05 0.00 2.61 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.31 3.42 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 62 I 7.92 4.39 1.97 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 1.44 1.16 0.87 0.00 0.00 63 P 0.00 4.93 0.00 1.93 1.99 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 64 V 8.98 4.56 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 0.93 0.00 0.00 0.98 0.00 0.00 65 E 9.15 4.97 0.00 2.07 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 2.22 2.27 0.00 66 I 8.91 4.56 1.88 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 0.70 0.91 0.00 0.00 *68 G 8.11 3.89 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 0.00 69 H 8.29 4.84 0.00 3.30 3.21 0.00 5.61 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 70 K 8.47 4.72 0.00 1.64 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.44 7.81 71 A 8.91 4.93 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 72 I 9.12 4.78 1.88 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 1.17 0.68 0.98 0.00 0.00 73 G 8.39 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.78 4.81 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 1.35 0.00 0.00 75 V 8.93 4.44 2.11 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 1.04 0.00 0.00 0.94 0.00 0.00 76 L 8.97 5.07 0.00 1.71 1.58 0.94 0.77 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 77 V 8.73 4.74 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 1.01 0.00 0.00 0.89 0.00 0.00 78 G 8.21 3.81 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 0.00 0.00 0.00 79 P 0.00 4.76 0.00 2.18 2.10 0.00 3.87 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 80 T 7.35 4.14 4.22 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 1.22 0.00 0.00 81 P 0.00 4.43 0.00 2.20 2.15 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 82 V 7.25 4.48 2.07 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 0.68 0.00 0.00 0.92 0.00 0.00 83 N 8.77 4.78 0.00 2.80 2.78 0.00 0.00 6.56 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 84 I 9.13 5.00 1.85 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 1.35 0.94 0.96 0.00 0.00 85 I 8.90 4.50 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.01 0.90 0.00 0.00 86 G 8.35 4.61 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 0.00 0.00 0.00 87 R 8.95 4.05 0.00 1.86 2.00 0.00 3.13 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 88 N 7.93 4.38 0.00 2.84 2.97 0.00 0.00 6.93 8.42 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 89 L 7.78 4.40 0.00 1.70 1.74 0.92 0.68 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 90 L 8.16 4.02 0.00 1.67 1.71 0.96 0.88 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 91 T 8.07 3.98 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 1.28 0.00 0.00 92 Q 7.70 4.07 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.05 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 93 I 7.23 3.99 1.83 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 1.48 0.52 0.93 0.00 0.00 94 G 7.63 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 0.00 0.00 0.00 *96 T 8.05 4.12 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 97 L 8.17 4.70 0.00 1.72 1.73 0.93 0.93 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 98 N 8.47 5.08 0.00 2.66 2.65 0.00 0.00 6.78 7.45 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 99 F 8.20 4.48 0.00 3.08 2.88 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 * Residues marked with a * may have inaccurate shift predictions.