NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8431 8.3501 109.7332 45.8994 0.0000 173.8988 3 A 4.0683 8.6090 124.3059 52.2899 18.9297 176.3688 4 R 4.3448 8.0582 116.6069 54.0100 31.9274 172.8582 5 A 4.7644 7.7648 124.7131 50.6616 21.7992 176.1448 6 S 4.5489 7.7998 109.4920 57.8145 63.0340 175.8589 7 V 4.0598 7.7781 116.5012 62.3653 32.9290 174.5666 8 A 4.0465 7.7222 128.0930 51.2991 22.9632 175.4633 9 S 3.6109 8.2418 107.6609 57.6774 60.0323 169.3806 10 G 3.5694 8.0177 116.8250 46.0792 0.0000 174.0417 11 G 3.7156 7.8805 110.7248 48.1521 0.0000 175.4411 12 E 4.0072 8.2451 120.4091 58.6006 29.5014 178.9911 13 L 4.0339 8.0647 119.8651 58.5899 41.8012 178.7133 14 D 4.4518 7.8217 116.8027 57.4049 40.9780 178.7154 15 K 4.1708 7.9892 118.5198 58.9626 32.1945 178.7491 16 W 4.4089 8.8420 129.0860 60.8727 30.4661 177.4787 17 E 4.7974 7.9719 115.6294 57.0839 28.9891 178.1898 18 K 4.1524 8.0553 120.2909 57.2832 33.0231 176.8318 19 I 3.9581 7.1106 120.5437 60.8482 37.9553 175.5285 20 R 4.5159 8.2198 123.5414 55.4059 31.0648 177.7321 21 L 3.6440 8.3033 121.0187 55.9938 41.8422 177.5535 22 R 4.7177 7.2969 115.2219 53.1548 33.6715 173.8250 23 P 4.6064 0.0000 0.0000 64.8828 31.4623 177.8488 24 G 4.0530 8.0152 105.5010 44.7090 0.0000 172.6988 25 G 4.0799 7.7683 110.1071 43.6242 0.0000 173.4421 26 K 4.4405 8.2409 117.3417 55.6648 33.9527 176.8877 27 K 4.2508 7.6908 117.8616 57.1959 33.4467 175.7876 28 Q 4.7755 8.1648 120.7203 54.1192 33.2854 174.1071 29 Y 4.2727 8.0176 117.1293 57.6652 39.2745 175.6770 30 K 5.2682 9.0260 120.4015 53.7136 37.0201 177.1622 31 L 4.0601 9.0785 119.8145 58.3922 41.4645 179.6544 32 K 3.9553 8.3353 118.6767 60.2408 31.9814 178.0292 33 H 4.5166 8.6605 116.2801 59.4282 28.7215 177.4540 34 I 3.6977 8.0521 121.3189 63.8396 36.9510 178.0564 35 V 3.5744 8.1320 118.7295 66.2447 31.4522 178.2099 36 W 4.1890 8.3326 127.1532 60.3910 30.4821 177.8024 37 A 3.6070 8.3440 120.6196 55.1784 17.7020 179.3074 38 S 3.9626 8.4002 110.6223 61.6756 62.6340 176.1746 39 R 3.8914 8.0149 121.0702 59.2663 29.8074 177.6560 40 E 3.5985 7.6971 118.9659 59.4949 29.4078 178.8112 41 L 4.0925 7.9166 118.6230 58.2527 41.5213 179.4026 42 E 3.9823 7.8096 116.9132 59.3382 29.4975 178.9595 43 R 4.0761 8.0912 118.6986 58.1198 29.9451 176.7145 44 F 4.9372 7.7692 115.7608 57.2574 40.0620 175.1480 45 A 3.7315 7.6154 118.2418 52.9368 16.5936 178.1070 46 V 4.3294 7.9582 118.6124 62.1365 33.4793 175.3409 47 N 4.4329 8.6866 125.3128 52.9076 38.6262 174.2512 48 P 4.4598 0.0000 0.0000 64.3687 31.9151 178.1128 49 G 3.4280 7.8949 108.1600 47.4740 0.0000 175.8102 50 L 4.1074 7.7504 120.0314 57.5491 41.2812 178.5457 51 L 4.3467 7.1832 116.2618 55.6743 41.7337 178.1815 52 E 4.0514 8.3514 120.9753 57.3915 30.2213 176.5527 53 T 4.4329 7.1900 108.5239 59.2262 71.1547 174.4966 54 S 4.0726 8.7009 119.3334 61.7965 61.8808 176.0998 55 E 4.0962 7.5334 121.2021 59.2262 29.7973 178.6672 56 G 4.1484 8.0574 107.0220 47.4948 0.0000 175.1628 57 C 4.0918 8.2325 118.9193 62.6868 28.1985 175.7891 58 R 3.7647 7.9079 120.0969 59.8658 29.3686 178.1916 59 Q 3.9703 8.0577 118.5558 59.1616 29.0626 178.0554 60 I 3.7082 7.5702 120.3427 64.3498 37.2533 177.9602 61 L 4.1997 8.6016 120.1040 58.1580 41.3172 180.0401 62 G 3.6906 7.9099 104.0704 47.7630 0.0000 175.6043 63 Q 4.1240 7.5349 119.4870 58.9782 29.2231 178.3431 64 L 4.1007 7.9702 118.7527 56.5700 41.3605 178.9211 65 Q 3.5333 8.2665 119.6395 58.5021 28.5450 176.5879 66 P 4.4454 0.0000 0.0000 64.0655 31.8360 176.7828 67 S 4.5506 7.3901 112.1399 58.4986 63.2145 175.0940 68 L 4.0103 7.4851 120.6689 57.3415 41.2720 177.7330 69 Q 4.2063 7.7026 119.1131 58.3202 29.8848 176.8011 70 T 3.9972 7.9613 106.4819 64.4354 69.2686 175.2504 71 G 3.9135 8.1872 110.9569 45.1578 0.0000 174.0767 72 S 4.6099 8.1757 114.2147 57.7511 66.9194 174.2973 73 E 4.2144 8.7754 119.0549 59.4053 29.2402 178.9160 74 E 4.2809 8.2753 119.4873 59.5083 29.7601 179.0040 75 L 4.0308 7.6847 118.9273 58.0053 41.9460 178.9076 76 R 4.0701 7.7034 117.7843 59.1158 30.0310 178.7083 77 S 4.3291 8.1063 114.9818 61.3742 62.8126 176.5029 78 L 4.2134 8.1856 121.2292 58.0568 41.5290 178.3513 79 Y 4.0822 7.9363 118.9953 61.0273 38.4198 177.9046 80 N 4.3841 7.9196 115.4844 57.4283 39.0259 176.9919 81 T 4.0169 8.1079 116.5191 66.2404 68.6447 176.4021 82 I 3.6363 8.5733 121.5641 64.7901 37.1217 178.2514 83 A 3.7622 7.9763 120.7765 55.2769 18.3959 179.3295 84 V 3.6065 7.8681 116.6929 66.0526 31.5107 177.5768 85 L 3.8996 8.0774 119.2041 58.6273 41.9129 178.2014 86 Y 4.0429 7.8694 118.6079 61.1767 38.5613 178.1917 87 C 4.1468 8.4062 117.5092 62.8954 28.2874 176.3102 88 V 3.6066 7.7431 119.2343 66.4034 30.9537 177.6021 89 H 4.4323 8.2784 115.3467 58.5805 28.5604 176.5871 90 Q 4.0989 7.4874 118.3443 55.2303 29.4866 174.9143 91 R 3.7325 7.8851 116.3659 58.1853 28.3790 176.2170 92 I 4.3332 8.0121 117.9608 59.4674 39.2582 175.9322 93 D 4.5905 8.6448 126.0413 53.5187 40.2022 176.5253 94 V 4.2389 8.0465 117.5258 60.2645 33.1616 176.4390 95 K 4.3545 8.1961 120.1122 57.8180 32.9562 176.7534 96 D 4.6074 7.7406 116.2215 51.5523 42.6052 176.3035 97 T 4.0017 8.1530 117.5077 67.0288 68.3400 176.6180 98 K 3.9193 8.0280 120.5679 59.6288 32.4047 178.0708 99 E 3.8794 8.8558 119.7751 59.4162 29.3456 178.8304 100 A 3.9705 8.0665 120.5212 55.0296 18.0625 179.1077 101 L 3.8920 7.6538 118.6529 58.5642 42.1069 178.8815 102 D 4.4047 8.2857 118.6547 57.3282 40.8034 178.7710 103 K 3.8953 8.1756 118.8695 59.9390 31.9525 179.2286 104 I 4.0002 7.6700 118.1947 64.9612 37.3249 177.2218 105 E 4.1402 7.9377 119.9254 58.3146 29.3904 177.9885 106 E 3.9810 8.7666 118.6787 59.5675 29.7439 179.3920 107 E 3.9827 8.7468 119.4443 59.6277 29.9122 179.0075 108 Q 4.0777 7.9975 117.3592 58.8472 28.6221 178.2829 109 N 4.3018 7.8584 118.4293 56.6897 38.8666 176.8376 110 K 3.9365 8.1009 119.8610 59.4740 31.9155 178.9684 111 S 4.0728 7.7430 112.0250 61.3718 62.6848 175.7841 112 K 4.0358 8.0484 121.6645 59.5553 31.7419 178.4931 113 K 4.0601 7.8228 118.2907 58.3212 32.0921 177.4399 114 K 4.6386 7.6345 118.4587 55.5032 33.5286 176.2813 115 A 4.7284 7.8981 119.2202 49.7442 19.7827 179.5732 116 Q 4.0666 8.4123 121.4665 60.6266 28.5005 177.0383 117 Q 4.1180 7.9841 120.6762 58.4332 29.1806 177.4196 118 A 3.9724 7.8897 120.3124 55.0207 18.6994 178.9893 119 A 4.0597 8.4520 119.5527 55.3203 18.2711 179.7489 120 A 3.9727 7.4362 116.7192 55.2546 18.4370 179.0679 121 D 4.5805 7.7763 116.3372 55.9278 42.2549 176.9373 122 T 4.5018 6.9407 111.1892 58.0689 68.4813 173.1921 123 G 4.0379 7.3905 113.7772 45.8787 0.0000 169.8804 124 N 4.8935 8.5614 118.5049 51.3891 40.3291 173.9216 125 N 4.6187 8.4989 116.5304 51.8499 38.5639 175.1330 126 S 4.3946 8.3420 120.5258 57.1148 62.7392 175.0793 127 Q 4.2257 8.3604 126.1856 54.4943 27.6370 176.6142 128 V 3.8976 7.9067 117.2222 60.9040 32.6877 176.1732 129 S 4.6332 8.2112 116.8347 58.7246 64.0617 175.3505 130 Q 4.6112 7.9677 117.8092 55.5840 28.9223 172.8739 131 N 4.7317 7.6949 121.6526 52.1275 40.1955 175.5308 132 Y 4.0735 8.3872 118.0432 57.9526 38.9256 174.8277 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 G 8.35 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 3 A 8.61 4.07 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.06 4.34 0.00 1.75 1.84 0.00 3.16 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 5 A 7.76 4.76 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 6 S 7.80 4.55 0.00 3.75 3.74 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 7 V 7.78 4.06 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 0.86 0.00 0.00 0.90 0.00 0.00 8 A 7.72 4.05 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 9 S 8.24 3.61 0.00 4.00 3.93 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 10 G 8.02 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 11 G 7.88 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 12 E 8.25 4.01 0.00 2.04 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 2.44 2.40 0.00 13 L 8.06 4.03 0.00 1.70 1.85 1.03 1.31 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 14 D 7.82 4.45 0.00 2.91 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.99 4.17 0.00 2.01 1.92 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.47 7.81 16 W 8.84 4.41 0.00 3.32 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 17 E 7.97 4.80 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 2.71 2.40 0.00 18 K 8.06 4.15 0.00 1.96 1.96 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.62 7.81 19 I 7.11 3.96 1.81 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 1.29 0.48 0.99 0.00 0.00 20 R 8.22 4.52 0.00 1.89 1.83 0.00 3.06 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 1.63 1.74 0.00 21 L 8.30 3.64 0.00 1.30 1.40 0.76 -0.49 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 22 R 7.30 4.72 0.00 1.66 1.74 0.00 3.17 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 23 P 0.00 4.61 0.00 2.16 2.16 0.00 3.27 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 24 G 8.02 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 0.00 0.00 0.00 25 G 7.77 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 26 K 8.24 4.44 0.00 1.64 1.73 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.38 7.81 27 K 7.69 4.25 0.00 1.64 1.56 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.40 7.81 28 Q 8.16 4.78 0.00 1.77 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.91 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 29 Y 8.02 4.27 0.00 2.09 1.43 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 0.00 0.00 0.00 0.00 30 K 9.03 5.27 0.00 1.90 1.77 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.80 7.81 31 L 9.08 4.06 0.00 1.78 1.82 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.34 3.96 0.00 1.83 1.77 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.61 7.81 33 H 8.66 4.52 0.00 4.06 3.83 0.00 5.87 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 34 I 8.05 3.70 1.87 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.33 0.73 0.00 0.00 35 V 8.13 3.57 2.18 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 1.04 0.00 0.00 1.00 0.00 0.00 36 W 8.33 4.19 0.00 3.59 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 37 A 8.34 3.61 1.52 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 0.00 0.00 0.00 38 S 8.40 3.96 0.00 3.79 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 39 R 8.01 3.89 0.00 1.99 1.92 0.00 3.16 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 40 E 7.70 3.60 0.00 1.53 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.34 0.00 41 L 7.92 4.09 0.00 1.89 1.96 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.81 3.98 0.00 2.07 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 2.30 0.00 43 R 8.09 4.08 0.00 1.68 1.39 0.00 2.90 0.00 0.00 2.91 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 44 F 7.77 4.94 0.00 3.17 2.94 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 45 A 7.62 3.73 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 46 V 7.96 4.33 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 0.85 0.00 0.00 1.03 0.00 0.00 47 N 8.69 4.43 0.00 2.86 2.72 0.00 0.00 6.84 8.03 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 48 P 0.00 4.46 0.00 2.18 2.48 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 49 G 7.89 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.75 4.11 0.00 1.84 1.74 0.93 0.51 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 51 L 7.18 4.35 0.00 1.39 1.66 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.35 4.05 0.00 1.94 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 2.26 2.26 0.00 53 T 7.19 4.43 4.18 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 1.16 0.00 0.00 54 S 8.70 4.07 0.00 3.75 3.74 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 E 7.53 4.10 0.00 2.15 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 2.34 2.41 0.00 56 G 8.06 4.15 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 0.00 0.00 0.00 57 C 8.23 4.09 0.00 3.44 3.12 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 58 R 7.91 3.76 0.00 2.00 2.11 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 59 Q 8.06 3.97 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 60 I 7.57 3.71 1.96 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 1.64 0.74 0.91 0.00 0.00 61 L 8.60 4.20 0.00 1.52 1.67 0.62 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.91 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 63 Q 7.53 4.12 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 64 L 7.97 4.10 0.00 1.80 1.63 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.27 3.53 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.75 0.00 66 P 0.00 4.45 0.00 2.18 2.12 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 67 S 7.39 4.55 0.00 3.79 3.74 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 68 L 7.49 4.01 0.00 1.57 1.53 -0.43 0.74 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 69 Q 7.70 4.21 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.06 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 70 T 7.96 4.00 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 1.20 0.00 0.00 71 G 8.19 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 72 S 8.18 4.61 0.00 4.10 4.10 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 73 E 8.78 4.21 0.00 2.08 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 2.43 2.43 0.00 74 E 8.28 4.28 0.00 2.20 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 0.00 2.51 2.45 0.00 75 L 7.68 4.03 0.00 1.75 1.65 0.67 0.84 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 76 R 7.70 4.07 0.00 2.07 2.15 0.00 3.18 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 77 S 8.11 4.33 0.00 4.52 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 0.00 78 L 8.19 4.21 0.00 1.76 1.78 0.90 0.37 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 79 Y 7.94 4.08 0.00 3.20 3.04 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 0.00 0.00 0.00 80 N 7.92 4.38 0.00 3.00 3.03 0.00 0.00 7.23 8.36 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 81 T 8.11 4.02 4.58 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 1.51 0.00 0.00 82 I 8.57 3.64 1.80 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 1.46 1.15 0.88 0.00 0.00 83 A 7.98 3.76 1.07 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 0.00 0.00 84 V 7.87 3.61 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 1.06 0.00 0.00 1.02 0.00 0.00 85 L 8.08 3.90 0.00 1.71 1.81 0.59 0.71 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 86 Y 7.87 4.04 0.00 3.21 3.18 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 87 C 8.41 4.15 0.00 3.27 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 88 V 7.74 3.61 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 1.18 0.00 0.00 1.02 0.00 0.00 89 H 8.28 4.43 0.00 3.11 3.19 0.00 5.70 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 7.49 4.10 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.51 0.00 0.00 0.00 0.00 0.00 2.10 2.37 0.00 91 R 7.89 3.73 0.00 1.98 1.99 0.00 3.26 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 92 I 8.01 4.33 1.93 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 1.30 0.90 0.93 0.00 0.00 93 D 8.64 4.59 0.00 2.65 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 94 V 8.05 4.24 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 0.74 0.00 0.00 0.95 0.00 0.00 95 K 8.20 4.35 0.00 1.89 1.84 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.22 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.40 7.81 96 D 7.74 4.61 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.15 4.00 4.32 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 1.31 0.00 0.00 98 K 8.03 3.92 0.00 1.83 2.04 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.51 7.81 99 E 8.86 3.88 0.00 2.42 2.00 0.00 0.00 0.00 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 2.41 0.00 100 A 8.07 3.97 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 0.00 101 L 7.65 3.89 0.00 1.69 1.73 1.03 1.62 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 0.00 102 D 8.29 4.40 0.00 2.82 2.90 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 0.00 103 K 8.18 3.90 0.00 2.11 1.92 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.67 7.81 104 I 7.67 4.00 1.98 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.76 0.68 0.00 0.00 105 E 7.94 4.14 0.00 2.08 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 2.31 2.36 0.00 106 E 8.77 3.98 0.00 2.06 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 2.35 2.36 0.00 107 E 8.75 3.98 0.00 2.08 2.22 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 2.39 2.40 0.00 108 Q 8.00 4.08 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.55 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 109 N 7.86 4.30 0.00 2.83 2.85 0.00 0.00 7.08 5.89 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 0.00 110 K 8.10 3.94 0.00 2.11 1.86 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.46 7.81 111 S 7.74 4.07 0.00 3.92 4.04 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 0.00 0.00 0.00 112 K 8.05 4.04 0.00 1.87 1.99 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.51 7.81 113 K 7.82 4.06 0.00 1.76 1.83 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.49 7.81 114 K 7.63 4.64 0.00 1.81 1.76 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.43 7.81 115 A 7.90 4.73 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 0.00 116 Q 8.41 4.07 0.00 2.29 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 117 Q 7.98 4.12 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 118 A 7.89 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 0.00 119 A 8.45 4.06 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 0.00 120 A 7.44 3.97 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 0.00 121 D 7.78 4.58 0.00 2.62 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 0.00 122 T 6.94 4.50 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 0.00 123 G 7.39 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 124 N 8.56 4.89 0.00 2.76 2.75 0.00 0.00 5.99 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 0.00 125 N 8.50 4.62 0.00 2.71 2.81 0.00 0.00 6.90 7.57 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 0.00 126 S 8.34 4.39 0.00 3.85 3.83 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 0.00 0.00 0.00 127 Q 8.36 4.23 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 128 V 7.91 3.90 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 0.65 0.00 0.00 0.92 0.00 0.00 129 S 8.21 4.63 0.00 3.85 3.79 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 0.00 130 Q 7.97 4.61 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 131 N 7.69 4.73 0.00 2.89 2.91 0.00 0.00 6.34 7.59 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 0.00 132 Y 8.39 4.07 0.00 3.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00