NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 F 4.6035 8.2829 119.0075 56.6437 40.9241 177.7651 4 K 3.9889 8.1035 125.8438 59.3864 31.6298 180.0161 5 K 4.0780 8.3333 125.1987 59.8199 31.7493 180.5285 6 V 3.7698 7.7254 118.3864 65.9016 31.5548 177.7209 7 A 4.0579 7.8889 123.0260 55.9541 18.0493 180.0899 8 K 3.9502 8.1177 122.3176 60.0146 31.7739 182.2656 9 E 4.2492 8.0732 119.4129 59.7721 29.4382 180.0024 10 T 3.8276 8.3227 115.6454 66.6096 68.5568 176.6145 11 A 4.0063 8.1948 122.9021 55.1058 18.3258 179.4499 12 I 3.6257 8.3183 118.6980 64.9127 37.2443 178.2784 13 T 3.8669 8.0728 116.2878 67.1678 68.3569 176.2067 14 L 4.0782 8.1980 121.6833 58.1267 42.0297 178.6493 15 Q 3.9585 8.1696 119.7925 59.0828 29.1310 177.7351 16 S 4.0988 7.9787 113.6509 61.8418 62.3867 175.8936 17 Y 4.0230 8.1300 121.6773 60.8855 38.6564 178.1069 18 L 4.0971 8.4349 119.7728 57.5313 41.5466 179.7250 19 T 3.8029 8.0256 116.2300 66.7696 68.4079 175.6537 20 Y 3.9573 7.7390 121.2369 61.0522 38.7154 178.2957 21 Q 3.3706 7.9264 119.8077 58.5325 28.9926 178.0876 22 A 3.8370 7.7581 122.0051 55.1636 18.5337 179.5182 23 V 3.6002 8.0629 119.6271 66.9316 31.4456 178.8703 24 R 3.7825 8.0648 122.9033 62.1653 28.7036 181.3318 25 L 4.2063 7.7951 123.0758 59.3157 40.7033 181.6513 26 I 3.9733 8.1903 122.2379 65.3869 37.0340 179.1020 27 S 4.3367 8.7042 122.2675 64.2108 61.7110 179.3870 28 Q 4.1689 7.8986 122.0219 60.4971 28.2374 181.4585 29 A 4.3958 7.8515 124.4572 55.5133 18.3129 180.3951 30 L 4.1399 8.6132 123.5966 60.0163 40.6650 182.6562 31 S 4.4785 7.8704 119.5046 63.9277 62.3460 180.4160 32 E 4.7348 7.8458 120.7451 59.6973 29.7347 178.8056 33 T 4.6815 7.9563 109.6551 62.4389 72.9248 179.5328 34 N 5.1269 8.1039 116.6144 48.6343 38.5961 175.4553 35 P 4.5591 0.0000 0.0000 65.2972 31.6979 178.3591 36 G 3.6137 8.1876 106.6887 48.4897 0.0000 175.9711 37 Q 4.0926 7.9974 123.7762 59.7959 27.9151 180.6263 38 A 4.3343 8.2875 124.8839 55.9785 18.3840 180.2254 39 I 3.7272 8.2875 118.6546 65.0643 35.4623 179.9751 40 W 4.3780 8.8518 132.6542 60.9007 30.4327 178.6526 41 L 4.2121 8.3755 122.5538 59.6271 40.3929 181.5419 42 G 3.8747 8.0318 109.4446 48.2707 0.0000 176.2848 43 E 3.9554 7.9667 120.2137 60.6907 29.5819 181.0597 44 F 4.0614 7.7539 120.6798 60.8895 39.1399 177.8246 45 S 4.4231 8.3270 117.0392 62.0857 62.7032 177.0102 46 K 4.1448 7.9425 127.9324 60.5111 31.4889 181.7299 47 R 4.1328 7.3110 120.8874 59.7262 29.6967 178.8076 48 H 4.8580 7.5592 114.7344 52.9617 32.4445 171.5250 49 P 4.3794 0.0000 0.0000 62.8398 30.7635 177.7138 50 I 2.9410 8.4353 124.9571 62.6153 35.4565 174.8895 51 Q 4.1057 8.1089 118.3344 58.5303 28.5839 182.8283 52 E 4.5535 8.0566 117.6269 54.6627 28.8240 180.7728 53 S 4.2029 8.2810 126.2726 64.0251 62.6601 176.4218 54 D 4.7020 8.3705 124.6549 57.6606 40.6352 179.1846 55 L 4.1314 8.0318 122.5186 59.7455 40.8205 181.1483 56 Y 4.2451 8.1602 118.3704 61.1736 38.7628 177.8026 57 L 4.0749 8.3876 120.0098 57.6247 41.4169 178.6393 58 E 3.9016 8.6455 119.5895 59.5719 29.2561 178.7590 59 A 4.0866 7.6053 118.5910 55.6677 18.9089 179.0892 60 M 3.5484 8.2589 116.5062 58.6129 32.2877 177.5074 61 M 3.8686 8.3645 118.7856 58.9452 32.0942 178.1433 62 L 3.9632 7.2473 117.1386 58.4445 41.9797 178.3107 63 E 4.4572 7.7622 115.7718 55.1752 29.9511 175.8080 64 N 4.3999 8.0097 129.2821 52.4364 39.4702 176.6190 65 K 4.0532 8.4231 133.2955 60.1768 31.9506 177.0345 66 E 4.1759 8.1182 118.0607 60.2632 29.5708 180.0692 67 L 4.4791 7.6429 117.8446 57.8591 42.7626 178.2332 68 V 3.5819 7.1954 117.0473 66.4062 30.9355 177.9492 69 L 4.0085 7.9057 118.5231 57.7931 41.4967 179.6297 70 R 4.0476 7.9257 115.0959 58.7687 29.6449 178.4283 71 I 3.6876 7.9283 121.3644 64.3781 36.6743 177.8925 72 L 4.1423 8.1917 119.6803 58.3877 41.4608 180.2063 73 T 3.7951 7.6442 114.9810 66.4442 68.5232 177.0627 74 V 3.5101 8.0473 120.0435 66.6359 31.5611 178.3236 75 R 3.7528 8.3071 118.8953 59.2709 30.0860 177.6700 76 E 3.9366 7.6642 118.8578 59.3992 29.7090 178.4243 77 N 4.3072 8.1423 116.6085 56.3367 38.5532 176.6061 78 L 3.8593 8.2997 121.7857 57.7781 42.0941 178.5283 79 A 3.9727 8.3162 120.2338 55.5296 18.1962 179.2631 80 E 3.9656 8.1966 115.5346 59.6642 29.7729 179.6358 81 G 3.5822 8.1222 105.3944 47.6669 0.0000 175.5663 82 V 3.5138 8.1076 121.3100 65.7630 31.4226 177.9551 83 L 4.0254 7.8561 118.7257 57.5665 41.5364 179.4594 84 E 4.1838 7.6681 118.2830 60.1379 30.0009 183.5014 85 F 5.2373 8.7016 116.9468 58.9735 40.1014 177.9806 86 L 4.0537 8.0414 118.4584 57.6990 41.4034 177.6876 87 P 4.4238 0.0000 0.0000 66.0731 31.2671 179.3038 88 E 3.9917 8.1279 116.7047 61.2864 29.8322 181.0303 89 M 4.1965 8.0884 120.1117 58.2269 32.1014 179.1055 90 V 3.5279 8.3055 118.3766 65.9509 31.7955 177.7233 91 L 3.9610 7.7012 119.9961 58.2212 41.8962 179.1033 92 S 4.1809 8.0808 114.1493 61.4414 63.0931 176.2410 93 Q 3.9747 8.0793 121.6960 58.7954 28.2973 179.1138 94 I 3.7409 8.0141 123.0964 64.8802 37.1497 178.8519 95 K 3.9848 8.0390 124.4953 60.1641 31.4440 180.6725 96 Q 4.1073 8.7240 121.0799 58.9676 28.9958 178.1591 97 S 4.0665 8.3379 114.4169 61.4440 62.3931 175.4457 98 N 4.3742 9.0609 120.6035 56.8035 38.3135 176.9811 99 G 3.7097 8.3303 106.6764 48.1023 0.0000 174.8792 100 N 4.2422 8.2794 119.0742 56.2929 38.7337 177.3309 101 H 4.1754 8.4027 117.1646 58.7680 28.7149 177.9375 102 R 3.8881 8.1988 119.9533 59.4418 29.9918 178.9076 103 R 3.8958 8.0656 117.6065 59.5525 30.1783 178.6722 104 S 4.0622 8.0300 112.3667 61.5016 62.1258 175.9772 105 L 3.9396 8.0872 121.4855 58.3869 42.0448 178.6598 106 L 4.1967 8.3947 121.6040 58.3003 41.4764 180.0172 107 E 4.0862 8.4337 120.7119 61.9203 29.5991 182.2345 108 R 4.3446 7.8132 120.6061 60.9868 29.3717 180.0497 109 L 4.3643 7.3711 117.5963 57.9971 42.2997 177.6761 110 T 4.3329 7.7898 110.4761 61.2893 67.8013 175.5852 111 Q 3.9707 8.6414 120.9467 58.3300 28.1095 177.3484 112 V 3.8101 8.7389 122.5495 61.7313 31.4769 178.4707 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 *3 F 8.28 4.60 0.00 2.22 2.36 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 4 K 8.10 3.99 0.00 1.84 1.83 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.13 7.81 5 K 8.33 4.08 0.00 1.75 1.88 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.09 7.81 6 V 7.73 3.77 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 1.06 0.00 0.00 0.93 0.00 0.00 7 A 7.89 4.06 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 8 K 8.12 3.95 0.00 1.80 1.80 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 9 E 8.07 4.25 0.00 2.09 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 2.34 2.53 0.00 10 T 8.32 3.83 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 1.20 0.00 0.00 11 A 8.19 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 12 I 8.32 3.63 2.04 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 1.53 1.34 0.92 0.00 0.00 13 T 8.07 3.87 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 1.19 0.00 0.00 14 L 8.20 4.08 0.00 1.99 1.81 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.17 3.96 0.00 2.35 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.47 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 16 S 7.98 4.10 0.00 3.94 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 17 Y 8.13 4.02 0.00 3.14 3.15 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 0.00 0.00 0.00 0.00 18 L 8.43 4.10 0.00 1.98 1.74 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.03 3.80 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 1.22 0.00 0.00 20 Y 7.74 3.96 0.00 2.87 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 21 Q 7.93 3.37 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 22 A 7.76 3.84 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 23 V 8.06 3.60 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 1.02 0.00 0.00 1.06 0.00 0.00 24 R 8.06 3.78 0.00 1.83 1.92 0.00 3.34 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 25 L 7.80 4.21 0.00 1.66 1.72 0.92 0.84 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 26 I 8.19 3.97 2.03 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 1.58 0.69 0.93 0.00 0.00 27 S 8.70 4.34 0.00 3.68 3.90 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 28 Q 7.90 4.17 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 29 A 7.85 4.40 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 30 L 8.61 4.14 0.00 1.63 1.69 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.87 4.48 0.00 3.66 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 32 E 7.85 4.73 0.00 2.06 1.86 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 2.22 2.18 0.00 33 T 7.96 4.68 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 34 N 8.10 5.13 0.00 2.54 2.69 0.00 0.00 7.21 8.04 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 35 P 0.00 4.56 0.00 2.16 2.18 0.00 3.57 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 2.13 2.50 0.00 36 G 8.19 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 37 Q 8.00 4.09 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 38 A 8.29 4.33 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 39 I 8.29 3.73 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 1.41 0.70 0.91 0.00 0.00 40 W 8.85 4.38 0.00 3.37 3.45 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 41 L 8.38 4.21 0.00 1.70 1.67 0.92 0.70 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 42 G 8.03 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 43 E 7.97 3.96 0.00 1.98 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 2.24 2.19 0.00 44 F 7.75 4.06 0.00 1.76 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 45 S 8.33 4.42 0.00 4.02 3.97 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 46 K 7.94 4.14 0.00 1.87 1.73 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.33 7.81 47 R 7.31 4.13 0.00 1.85 1.87 0.00 3.18 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 48 H 7.56 4.86 0.00 2.34 3.06 0.00 5.82 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.38 0.00 2.21 2.21 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.96 0.00 50 I 8.44 2.94 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 1.27 0.69 0.91 0.00 0.00 51 Q 8.11 4.11 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.28 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 52 E 8.06 4.55 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 2.16 2.10 0.00 53 S 8.28 4.20 0.00 3.67 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 54 D 8.37 4.70 0.00 2.73 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 55 L 8.03 4.13 0.00 1.65 1.70 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.16 4.25 0.00 3.29 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 4.07 0.00 2.01 1.79 1.08 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.65 3.90 0.00 2.10 2.19 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 2.35 2.38 0.00 59 A 7.61 4.09 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 60 M 8.26 3.55 0.00 1.94 1.70 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.34 0.00 61 M 8.36 3.87 0.00 2.25 2.14 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 2.58 2.64 0.00 62 L 7.25 3.96 0.00 1.88 1.76 0.96 0.94 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 63 E 7.76 4.46 0.00 2.07 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 2.43 2.38 0.00 64 N 8.01 4.40 0.00 1.83 1.90 0.00 0.00 7.53 6.37 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 65 K 8.42 4.05 0.00 1.80 1.79 0.00 1.87 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.07 7.81 66 E 8.12 4.18 0.00 2.06 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 0.00 2.24 1.96 0.00 67 L 7.64 4.48 0.00 1.73 1.61 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.20 3.58 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 1.00 0.00 0.00 0.94 0.00 0.00 69 L 7.91 4.01 0.00 1.73 1.69 0.90 0.88 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 70 R 7.93 4.05 0.00 2.03 2.17 0.00 2.96 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.71 0.00 71 I 7.93 3.69 2.10 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 1.58 0.72 0.97 0.00 0.00 72 L 8.19 4.14 0.00 1.84 1.77 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.64 3.80 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 74 V 8.05 3.51 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 1.04 0.00 0.00 0.92 0.00 0.00 75 R 8.31 3.75 0.00 2.00 2.10 0.00 3.17 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 76 E 7.66 3.94 0.00 1.96 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 0.00 2.30 2.34 0.00 77 N 8.14 4.31 0.00 2.78 2.83 0.00 0.00 6.69 6.87 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 78 L 8.30 3.86 0.00 1.88 1.80 0.90 1.14 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 79 A 8.32 3.97 1.42 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 0.00 0.00 80 E 8.20 3.97 0.00 2.17 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 2.32 0.00 81 G 8.12 3.58 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 0.00 0.00 0.00 82 V 8.11 3.51 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 1.07 0.00 0.00 0.99 0.00 0.00 83 L 7.86 4.03 0.00 1.88 1.72 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.67 4.18 0.00 2.02 1.86 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 2.26 2.22 0.00 85 F 8.70 5.24 0.00 3.08 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 86 L 8.04 4.05 0.00 1.73 1.77 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.42 0.00 2.18 2.12 0.00 3.66 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 88 E 8.13 3.99 0.00 1.97 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 0.00 2.31 1.97 0.00 89 M 8.09 4.20 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.54 0.00 90 V 8.31 3.53 2.19 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 0.99 0.00 0.00 0.93 0.00 0.00 91 L 7.70 3.96 0.00 2.08 1.65 0.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.08 4.18 0.00 4.11 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 93 Q 8.08 3.97 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 94 I 8.01 3.74 2.02 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 1.37 1.08 0.91 0.00 0.00 95 K 8.04 3.98 0.00 1.77 1.86 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.36 7.81 96 Q 8.72 4.11 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 97 S 8.34 4.07 0.00 4.00 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 98 N 9.06 4.37 0.00 3.05 2.89 0.00 0.00 6.95 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.33 3.71 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 0.00 0.00 0.00 100 N 8.28 4.24 0.00 2.92 2.83 0.00 0.00 7.17 8.31 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 0.00 101 H 8.40 4.18 0.00 3.30 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.20 3.89 0.00 2.12 1.99 0.00 3.34 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 103 R 8.07 3.90 0.00 1.84 1.99 0.00 3.14 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 104 S 8.03 4.06 0.00 3.93 4.05 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 0.00 105 L 8.09 3.94 0.00 1.75 1.91 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.39 4.20 0.00 1.71 1.70 0.92 0.93 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 0.00 107 E 8.43 4.09 0.00 1.99 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 0.00 2.24 2.20 0.00 108 R 7.81 4.34 0.00 1.92 1.91 0.00 3.23 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 109 L 7.37 4.36 0.00 1.74 1.90 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.79 4.33 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 1.34 0.00 0.00 111 Q 8.64 3.97 0.00 2.25 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 112 V 8.74 3.81 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 0.70 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.