NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2595 8.2649 123.5832 51.6904 20.5969 177.4724 3 C 4.5257 7.5553 116.2561 56.2232 29.7698 171.7667 4 P 4.2257 0.0000 0.0000 65.5319 31.4670 177.8560 5 L 3.9566 7.8119 118.4608 58.0719 42.1411 178.6266 6 E 3.9590 8.1077 118.1253 59.3755 29.4104 179.0607 7 K 3.9638 8.4385 119.6776 59.3143 32.0993 178.6879 8 A 3.9975 8.2665 121.5212 55.1625 18.3444 179.5881 9 L 3.9615 7.9619 117.5521 57.8208 41.5810 179.1714 10 D 4.3679 8.1776 117.9837 57.5444 41.2075 178.5287 11 V 3.6581 8.1297 118.8944 66.2495 31.2457 177.7515 12 M 4.2174 8.3057 118.6147 58.6521 31.8423 178.9680 13 V 4.0647 8.2127 118.2574 66.1280 31.7469 178.3425 14 S 4.3126 8.6411 115.3466 61.8777 62.2394 176.7030 15 T 4.0713 8.3814 118.5962 66.4505 68.2751 176.3477 16 F 3.6859 7.9798 122.3194 61.7245 39.3093 176.8577 17 H 4.9274 7.9545 115.8147 57.3643 28.3930 177.5479 18 K 3.9388 8.0860 121.0602 58.7375 32.1933 177.2659 19 Y 4.4248 7.4571 115.4157 58.2117 39.4172 177.9351 20 S 4.2758 7.7098 114.5986 60.6423 63.5112 175.8468 21 G 3.6879 7.3975 106.0528 45.6015 0.0000 174.7367 22 K 4.0472 7.6217 119.4468 58.5820 32.1490 177.0400 23 E 4.6829 8.5132 114.0517 54.9672 33.5227 177.3174 24 G 3.5711 8.4873 107.2590 46.1732 0.0000 174.4062 25 D 4.2943 8.6646 125.7839 54.8394 41.4604 178.0944 26 K 4.0542 8.4459 127.9080 56.5089 31.9488 174.1363 27 F 5.3022 8.2673 114.6453 57.6915 39.1648 175.2214 28 K 5.1090 7.6317 117.6959 55.0351 36.6512 175.6277 29 L 4.7817 8.8989 123.1646 53.4769 43.4442 176.6992 30 N 4.8756 9.0283 122.4938 51.5133 39.5071 176.0262 31 K 3.7785 8.8181 118.7738 59.8960 31.9163 178.2612 32 S 3.9513 7.9655 112.4147 61.5374 62.5233 175.6922 33 E 3.9979 9.4043 122.2893 59.3539 29.0823 179.1947 34 L 3.9236 8.4134 120.7511 57.9337 42.1326 178.9451 35 K 3.9743 8.1840 119.7159 59.4936 32.0724 178.2862 36 E 3.9148 8.1921 118.8174 59.4264 29.4756 178.8374 37 L 2.8395 7.3830 119.7279 57.9868 41.9711 179.0209 38 L 4.0626 8.0339 118.6283 58.2929 41.4424 179.6931 39 T 3.9326 7.8599 113.9130 66.8931 68.5463 176.4968 40 R 4.2652 8.4445 118.2506 57.8098 30.4405 177.7665 41 E 4.6849 8.6622 116.4599 55.8727 32.2520 175.9144 42 L 4.9734 8.1672 119.3707 52.4934 42.7072 176.3940 43 P 4.3721 0.0000 0.0000 66.2227 31.2289 177.9397 44 S 4.1872 8.0373 113.8333 61.1482 62.8266 175.8571 45 F 4.3646 8.0704 122.9555 61.0555 39.3617 176.7516 46 L 3.8555 8.1282 117.5923 56.8330 42.5630 177.8045 47 G 3.8423 7.8485 106.5484 45.5559 0.0000 172.5377 48 K 4.6221 8.0794 116.9096 55.2563 35.9076 175.5274 49 R 3.8137 8.5251 117.0342 57.4870 27.5882 176.7530 50 T 4.2918 7.6705 105.7963 60.7788 70.6079 173.9658 51 D 4.6766 8.4109 122.2676 52.5975 40.8924 177.1187 52 E 4.0000 9.0356 122.4329 59.6298 29.3976 179.3959 53 A 4.0321 8.1173 120.1799 54.9828 18.7811 179.1872 54 A 3.9026 8.9805 119.7772 55.2866 18.3663 179.9149 55 F 3.9461 8.2570 116.3699 60.6637 38.9316 177.6480 56 Q 4.0058 8.0982 118.9993 59.1316 28.9072 178.1635 57 K 3.8994 8.4261 121.0246 59.2670 32.1636 178.6139 58 L 3.8939 7.7758 120.3796 58.4710 42.2908 178.4258 59 M 3.9989 8.6489 118.4688 58.7955 31.7933 178.2155 60 S 4.1064 8.1968 112.7613 61.4548 62.7166 175.5297 61 N 4.4637 8.0458 117.9887 56.1609 38.3106 176.8474 62 L 4.2663 7.8002 119.2206 56.1849 43.5061 177.9051 63 D 4.8074 7.7875 120.1545 53.0158 37.5356 176.6405 64 S 4.0906 7.9302 117.3236 61.0531 63.7804 175.8166 65 N 4.6532 8.3522 115.5400 51.9134 37.1036 174.7866 66 R 3.9187 7.8190 116.5585 57.7187 28.3130 176.1386 67 D 4.6456 8.2785 113.7141 53.0081 39.5241 176.1472 68 N 4.3363 9.4674 116.1894 54.4869 37.9844 173.1718 69 E 4.9298 8.1442 113.7902 54.7403 34.3218 174.8676 70 V 4.5512 8.8911 122.6612 61.6518 33.3712 175.4554 71 D 5.2507 9.1927 128.8622 52.2107 41.6577 177.1943 72 F 2.9773 8.8087 119.1420 61.0699 39.1638 176.6782 73 Q 3.8691 8.0889 118.7983 59.2473 29.0539 177.8133 74 E 4.0297 8.8769 119.9370 59.3025 29.3929 178.8409 75 Y 4.1880 7.9915 119.8832 60.8686 38.8153 177.3509 76 C 3.6294 7.7960 117.9238 62.7082 28.1249 176.3872 77 V 3.4818 7.5742 119.4080 65.8746 31.1673 177.6265 78 F 4.2709 8.0942 120.3349 61.6034 39.1707 177.1732 79 L 3.3613 7.5630 118.3082 57.5188 41.2731 179.4872 80 S 3.9980 8.0999 115.5287 61.6677 62.7232 176.3662 81 C 4.0128 7.9602 121.1957 62.5771 31.3422 175.6124 82 I 3.5211 7.3862 121.0514 64.1660 36.5198 178.0635 83 A 3.9168 8.2589 121.7660 55.5534 17.9797 179.2504 84 M 3.9401 8.2629 115.8699 59.0966 32.4534 178.6806 85 M 4.2450 7.9879 118.3049 58.7726 32.3076 178.6226 86 C 4.1957 8.2437 116.7951 62.9183 28.3885 175.7584 87 N 4.6222 8.5115 118.7592 56.6534 38.4909 176.7025 88 E 4.0547 8.1918 120.1808 59.2007 29.5167 178.9084 89 F 4.0177 8.2512 120.3727 61.5266 39.2217 177.3264 90 F 4.1292 8.4670 115.4526 60.2140 38.7918 176.4026 91 E 4.4550 7.9771 115.8100 55.8207 29.2147 177.2787 92 G 3.5792 7.9224 108.2787 45.8407 0.0000 175.1888 *93 F 3.5908 7.5697 115.7922 60.5503 35.3586 178.0189 94 P 4.4504 0.0000 0.0000 61.6508 30.4824 176.3939 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 2 A 8.26 4.26 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 3 C 7.56 4.53 0.00 3.01 2.85 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 4 P 0.00 4.23 0.00 2.15 2.12 0.00 3.59 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 5 L 7.81 3.96 0.00 1.74 1.65 0.91 0.98 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 6 E 8.11 3.96 0.00 2.06 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 2.41 2.37 0.00 7 K 8.44 3.96 0.00 1.93 1.92 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 8 A 8.27 4.00 1.40 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 0.00 0.00 0.00 9 L 7.96 3.96 0.00 1.91 1.78 0.96 1.04 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 10 D 8.18 4.37 0.00 2.91 2.89 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 11 V 8.13 3.66 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 1.05 0.00 0.00 0.98 0.00 0.00 12 M 8.31 4.22 0.00 2.21 2.36 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.54 0.00 13 V 8.21 4.06 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 1.00 0.00 0.00 1.23 0.00 0.00 14 S 8.64 4.31 0.00 4.05 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 15 T 8.38 4.07 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 16 F 7.98 3.69 0.00 2.54 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 17 H 7.95 4.93 0.00 3.47 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.09 3.94 0.00 1.80 1.98 0.00 1.71 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.63 1.22 7.81 19 Y 7.46 4.42 0.00 2.71 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 20 S 7.71 4.28 0.00 3.91 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 21 G 7.40 3.69 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 0.00 0.00 0.00 22 K 7.62 4.05 0.00 1.77 1.83 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.37 1.25 7.81 23 E 8.51 4.68 0.00 1.92 1.82 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 2.16 2.37 0.00 24 G 8.49 3.57 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 0.00 0.00 0.00 0.00 25 D 8.66 4.29 0.00 2.71 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 K 8.45 4.05 0.00 1.82 1.71 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.03 7.81 27 F 8.27 5.30 0.00 3.18 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 28 K 7.63 5.11 0.00 1.70 1.75 0.00 1.89 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.61 7.81 29 L 8.90 4.78 0.00 1.59 1.54 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 30 N 9.03 4.88 0.00 2.84 3.20 0.00 0.00 6.14 6.81 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 31 K 8.82 3.78 0.00 1.82 1.82 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.50 7.81 32 S 7.97 3.95 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 33 E 9.40 4.00 0.00 2.06 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 0.00 2.37 2.43 0.00 34 L 8.41 3.92 0.00 1.70 1.82 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.18 3.97 0.00 1.66 1.69 0.00 0.61 0.00 0.00 0.83 0.00 0.00 2.67 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.16 0.46 7.81 36 E 8.19 3.91 0.00 2.23 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 0.00 2.44 2.37 0.00 37 L 7.38 2.84 0.00 0.88 1.55 0.92 0.69 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 38 L 8.03 4.06 0.00 1.94 1.92 1.11 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.86 3.93 4.53 0.00 0.00 0.00 0.00 0.00 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 40 R 8.44 4.27 0.00 1.87 2.10 0.00 3.22 0.00 0.00 3.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 41 E 8.66 4.68 0.00 1.97 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 0.00 2.27 2.48 0.00 42 L 8.17 4.97 0.00 1.89 1.70 0.84 1.14 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 43 P 0.00 4.37 0.00 2.29 2.36 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 44 S 8.04 4.19 0.00 3.91 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 45 F 8.07 4.36 0.00 2.99 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 46 L 8.13 3.86 0.00 1.76 1.66 0.74 0.58 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 47 G 7.85 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 48 K 8.08 4.62 0.00 1.71 1.69 0.00 1.92 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.43 7.81 49 R 8.53 3.81 0.00 1.92 1.98 0.00 3.22 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 50 T 7.67 4.29 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 1.13 0.00 0.00 51 D 8.41 4.68 0.00 2.88 2.85 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 52 E 9.04 4.00 0.00 2.13 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 0.00 2.39 2.51 0.00 53 A 8.12 4.03 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 54 A 8.98 3.90 1.28 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 0.00 0.00 0.00 55 F 8.26 3.95 0.00 3.31 3.10 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 0.00 0.00 0.00 56 Q 8.10 4.01 0.00 2.39 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 57 K 8.43 3.90 0.00 2.04 1.87 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.50 7.81 58 L 7.78 3.89 0.00 1.96 1.80 0.93 0.66 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 59 M 8.65 4.00 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 60 S 8.20 4.11 0.00 3.90 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 0.00 61 N 8.05 4.46 0.00 2.97 2.88 0.00 0.00 7.10 7.13 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 62 L 7.80 4.27 0.00 1.56 1.65 0.14 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.79 4.81 0.00 2.92 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 64 S 7.93 4.09 0.00 4.03 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 65 N 8.35 4.65 0.00 2.91 2.98 0.00 0.00 7.16 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 66 R 7.82 3.92 0.00 1.92 2.03 0.00 3.45 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 67 D 8.28 4.65 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.47 4.34 0.00 2.83 2.97 0.00 0.00 6.83 7.43 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 69 E 8.14 4.93 0.00 2.00 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 2.25 2.40 0.00 70 V 8.89 4.55 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 1.25 0.00 0.00 0.95 0.00 0.00 71 D 9.19 5.25 0.00 2.99 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 72 F 8.81 2.98 0.00 2.71 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 73 Q 8.09 3.87 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 74 E 8.88 4.03 0.00 2.10 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 2.27 2.91 0.00 75 Y 7.99 4.19 0.00 3.16 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.80 3.63 0.00 2.94 2.79 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 77 V 7.57 3.48 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 1.07 0.00 0.00 0.97 0.00 0.00 78 F 8.09 4.27 0.00 2.97 3.13 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 79 L 7.56 3.36 0.00 1.31 1.32 0.36 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.10 4.00 0.00 4.00 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 81 C 7.96 4.01 0.00 3.16 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 82 I 7.39 3.52 1.57 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.19 0.72 0.00 0.00 83 A 8.26 3.92 1.29 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 0.00 0.00 84 M 8.26 3.94 0.00 1.95 2.32 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.91 0.00 85 M 7.99 4.25 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.76 0.00 86 C 8.24 4.20 0.00 3.20 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 87 N 8.51 4.62 0.00 2.97 3.06 0.00 0.00 7.19 8.09 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 88 E 8.19 4.05 0.00 2.25 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 2.68 2.50 0.00 89 F 8.25 4.02 0.00 3.15 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 90 F 8.47 4.13 0.00 3.30 3.17 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 91 E 7.98 4.46 0.00 2.09 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 2.45 2.50 0.00 92 G 7.92 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 *93 F 7.57 3.59 0.00 2.45 2.17 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 94 P 0.00 4.45 0.00 2.05 1.96 0.00 3.67 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 2.01 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.