NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.1759 8.1849 120.6500 54.4282 44.1709 177.1369 *4 K 4.1370 7.5893 117.5452 55.7015 34.4630 176.4999 5 V 3.8708 8.3875 120.7629 66.4819 31.4384 178.3668 6 A 4.0967 8.0437 119.8564 55.2513 18.2788 179.3244 7 E 4.0227 8.0373 116.6912 59.2416 29.5893 179.2282 8 F 4.3363 8.2436 117.9295 60.8751 39.1881 177.3517 9 E 4.1491 8.4855 118.1172 59.7112 29.2351 179.5888 10 R 3.9964 8.1438 118.5813 59.4301 30.1345 178.6526 11 L 4.0959 8.2555 118.8755 57.8498 41.6498 179.4209 12 F 4.2002 8.6983 117.9135 60.3050 38.7188 177.8444 13 R 3.9727 8.1960 118.2451 59.7282 29.8363 178.6344 14 Q 4.0470 8.1690 116.2830 58.8049 28.7313 178.2841 15 A 4.3135 8.4227 121.3662 54.4332 18.6087 178.5840 16 A 4.5407 7.5481 115.1824 51.6951 20.7060 175.6828 17 G 4.0900 8.3714 105.2574 47.5523 0.0000 173.9304 18 L 4.9462 8.0240 117.7224 53.0094 44.2125 175.9499 19 D 5.1325 9.3896 122.6506 52.5399 43.2414 175.8233 20 V 4.7123 8.3024 122.2350 59.7550 34.4368 174.4330 21 D 4.9025 8.7051 121.5925 50.8711 42.0454 176.9383 22 K 3.7237 8.4808 117.7169 60.2604 31.4367 178.5934 23 N 4.2054 8.2185 115.5358 56.7165 38.4458 177.1441 24 D 4.0313 7.9685 119.8424 57.3022 41.0004 178.5777 25 L 3.4679 7.6390 118.9065 57.5718 41.5808 179.4121 26 K 3.8164 7.6001 119.4130 59.4763 32.1531 178.8678 27 R 3.7845 7.3263 118.6656 59.2975 29.9393 178.6532 28 V 3.2704 8.0325 118.3740 65.8459 31.4657 177.8784 29 S 4.1340 8.2670 113.1529 61.5523 62.1747 175.8985 30 D 4.3314 8.0038 121.5004 57.2304 40.6913 178.4425 31 F 4.2069 8.2313 121.0794 61.5656 39.3582 177.2834 32 L 3.8234 8.1140 118.5186 57.2905 41.2670 179.4416 33 R 3.8678 8.2690 119.4410 59.6004 29.9639 178.3960 34 N 4.3785 8.3543 116.3979 56.0969 38.4554 177.6752 35 K 3.8822 7.6229 119.6515 59.2234 32.1365 179.1508 36 L 3.9203 8.1005 120.8107 58.2070 41.9678 178.2828 37 Y 4.0444 8.2439 119.6302 60.9983 38.7652 177.9635 38 D 4.3069 8.4780 119.8708 57.1471 40.8292 178.8177 39 L 3.9430 7.7999 119.6821 57.8142 41.5421 179.5542 40 L 3.8999 7.7971 118.6958 57.5323 41.3470 179.4027 41 A 3.7263 7.8844 121.2752 55.0561 18.1945 179.9127 42 V 3.4916 7.8101 116.5817 65.8498 31.5612 178.1182 43 A 4.4756 7.9323 122.0438 54.5322 18.1318 179.1461 44 E 3.8316 8.3804 118.1033 59.4128 29.6587 178.9642 45 R 3.8877 7.6906 118.7524 59.6939 30.2374 178.2832 46 N 4.3625 8.3872 116.1344 56.0502 38.4242 177.3132 47 A 4.0798 8.5160 122.6896 55.2789 18.5739 179.8743 48 K 3.9406 8.3274 117.1552 59.7668 31.8701 178.9577 49 Y 4.1178 8.1223 119.1115 60.0951 38.6386 176.7880 50 N 4.8888 7.9218 115.4527 52.4456 39.1879 175.2417 51 G 3.9244 7.7712 106.9186 46.5243 0.0000 174.3239 52 R 4.6944 8.0553 117.4518 54.4115 32.3083 175.6043 53 D 4.9131 8.5884 118.5967 53.6389 41.5004 175.3468 54 L 4.7519 7.5377 117.3737 53.4133 45.4865 174.7034 55 I 4.4232 8.3013 126.2275 60.4309 38.7606 175.1766 56 F 4.8369 9.3357 125.3619 55.2329 42.3570 176.3235 57 E 3.9154 9.1902 120.4923 59.2336 29.3055 177.4108 58 P 4.3578 0.0000 0.0000 65.3878 31.8704 177.4143 59 D 4.4878 8.2549 118.2995 56.6921 40.9782 176.6063 60 L 4.3652 7.8112 120.2152 54.0212 42.1367 176.5868 61 P 4.4452 0.0000 0.0000 61.7058 29.5785 174.6475 62 I 4.1272 7.3473 121.9797 60.2320 38.0414 176.4842 63 A 4.2218 8.1577 127.5583 51.1615 20.3159 177.2326 64 K 3.8468 8.7511 122.0799 59.9435 32.0464 179.2980 65 G 3.5614 7.9898 105.1371 47.7919 0.0000 175.3095 66 L 3.9698 7.8069 122.4025 57.6721 42.1849 178.5839 67 Q 3.9486 8.2185 119.7589 59.2524 28.9439 178.1875 68 E 4.0300 8.4380 119.8904 59.6889 29.3896 179.4624 69 T 3.9204 8.0745 115.9408 66.3496 68.4216 176.5291 70 L 4.0504 8.1675 122.6864 58.2743 41.9062 179.0279 71 Q 4.0507 7.9584 117.0208 58.9489 28.8720 178.3412 72 E 4.1200 8.3588 119.7130 59.3778 29.3126 179.0704 73 F 4.1705 8.2672 119.7094 61.5471 39.5348 177.1941 74 R 3.7363 8.0495 116.2699 58.2174 31.1469 178.4088 75 R 4.1237 7.1087 119.4193 54.5015 27.7330 176.7856 *77 D 4.2939 7.5660 119.4908 54.6127 42.4945 178.4876 78 T 4.2651 7.0758 113.9616 61.4873 70.3993 173.4273 79 A 4.3009 8.3819 129.1806 51.2183 19.0078 176.7313 80 L 4.6580 8.3534 123.1529 53.3037 43.4669 176.7029 81 E 4.2148 8.4265 122.0406 56.0309 30.6372 177.5839 82 L 4.0737 8.5312 123.9352 58.0181 42.2865 179.0012 83 K 3.8243 8.0882 119.1855 59.4062 32.0594 176.6715 84 P 4.3885 0.0000 0.0000 65.4479 31.0898 178.8443 85 V 3.5873 7.6507 116.7356 65.8985 31.5299 177.9270 86 L 3.9816 7.8233 118.5671 57.8285 41.2214 179.1857 87 D 4.3200 8.3656 117.9295 57.4003 40.8902 178.3841 88 A 4.1389 8.0880 121.1217 55.3114 18.4050 179.7392 89 L 3.9654 8.3520 117.3306 57.5067 41.4789 179.2952 90 A 4.0917 7.9866 119.7085 54.2920 18.3349 178.8854 91 A 4.0686 7.5789 118.2379 52.9213 18.6312 177.1882 92 L 4.4384 6.7651 116.5332 51.5643 44.0979 174.5956 93 P 4.2632 0.0000 0.0000 62.4707 31.6464 175.1163 94 P 4.4884 0.0000 0.0000 62.4037 31.9413 176.3758 95 L 4.4129 8.2011 121.3844 54.3059 42.5723 177.1148 96 D 4.4821 9.2548 121.0908 56.6594 40.9832 177.3545 97 L 4.6492 7.8214 116.9916 53.0517 43.8220 175.8504 98 E 4.3946 8.3036 120.4958 56.1481 31.2646 175.8716 99 V 4.4813 7.9982 114.1480 59.8288 33.5585 176.0689 100 A 3.9237 8.5952 125.7299 51.4638 19.4682 178.2380 101 E 3.8074 9.0257 119.5883 60.0629 29.3991 179.3525 102 D 4.4338 8.0807 117.7342 57.0680 40.8879 178.8062 103 V 3.6186 7.6436 118.7180 65.5440 31.4025 177.6874 104 R 3.8267 7.8492 117.9378 59.7634 30.0444 178.0757 105 N 4.5156 8.0012 113.8982 55.4307 38.7673 176.7980 106 L 4.1523 7.6762 122.0685 57.3614 42.1519 178.3603 107 L 3.9332 7.8152 119.7017 57.5570 41.6718 177.8229 108 P 4.2142 0.0000 0.0000 65.9411 31.0773 178.2161 109 E 3.8951 8.0827 117.8620 59.1563 29.4876 179.0696 110 L 3.8599 8.1621 119.0844 57.5488 41.6247 179.4031 111 A 4.0244 7.9503 120.9678 54.9012 18.2442 179.9368 112 G 2.3575 7.4409 103.8859 47.4112 0.0000 175.5750 113 A 3.9611 7.7522 124.0454 54.9206 18.2733 179.7262 114 L 4.0654 8.2887 117.6681 57.9776 41.5942 179.9977 115 V 3.5470 7.8123 118.2541 65.8549 31.4467 178.2269 116 V 3.5469 8.0158 117.9216 65.9967 31.4010 177.9220 117 A 4.1013 8.3468 120.6196 55.2892 17.7114 178.9920 118 Y 3.9939 8.7059 118.2021 60.8094 38.8959 178.1218 119 A 4.1818 8.3644 122.0918 55.3721 18.4981 179.8941 120 R 3.9928 8.1557 116.4931 58.9801 30.0594 179.5537 121 V 3.6124 7.8450 118.4957 65.8421 31.4486 177.9034 122 L 3.8561 7.7177 118.7943 57.7663 41.3073 179.4719 123 K 3.9339 8.1046 119.3415 59.6693 31.9231 178.7385 124 E 3.9908 7.9939 117.7033 59.0377 29.3450 179.0203 125 L 4.3772 7.6050 118.6029 56.4508 42.5852 177.7222 126 D 4.6236 7.7739 123.0234 51.1891 41.6338 173.8882 127 P 4.2889 0.0000 0.0000 63.3758 31.6467 176.9572 128 A 4.5201 7.8572 119.4746 51.3949 19.7970 176.9772 129 L 4.0131 8.2934 119.0356 55.3038 42.8354 176.3631 130 K 4.3765 8.7095 123.0908 57.2554 34.2691 175.7583 131 N 5.5766 7.6574 115.3473 49.8393 41.1625 171.9338 132 P 4.2031 0.0000 0.0000 62.9841 32.0994 175.6430 133 Q 4.7418 8.4352 119.6638 53.7729 32.2346 176.6574 134 T 3.9130 8.6318 115.7517 67.4423 68.3422 176.3592 135 E 4.1767 7.9798 120.7800 59.2152 29.3752 179.0763 136 H 4.2243 8.1162 116.4025 58.9918 28.6748 177.6133 137 H 4.3147 7.9261 118.9448 58.3764 28.1910 177.3860 138 E 3.9058 8.3719 120.5536 59.5609 29.2669 179.8117 139 R 3.9233 7.8573 117.2893 59.1572 30.1498 178.9446 140 A 3.9695 8.1797 120.8467 55.0571 18.1748 179.5640 141 E 3.6402 8.4402 117.5880 59.5537 29.2174 179.7806 142 R 3.9799 7.6841 117.0866 59.0836 30.2593 178.9960 143 V 3.8220 8.0724 118.0867 66.2226 31.5283 178.1054 144 F 4.1643 8.8538 117.5949 60.7943 38.5874 177.4413 145 N 4.3186 8.6841 115.3000 56.1933 38.3597 177.0882 146 L 4.2299 7.8070 119.5698 56.6290 41.7686 177.7046 147 L 4.6481 7.8211 116.1018 54.2521 44.3237 176.2669 148 L 4.3192 8.6995 123.2608 54.7390 42.0575 176.0572 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 L 8.18 4.18 0.00 1.68 1.74 1.02 0.60 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 *4 K 7.59 4.14 0.00 1.89 1.79 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.59 7.81 5 V 8.39 3.87 2.15 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 1.11 0.00 0.00 1.01 0.00 0.00 6 A 8.04 4.10 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 7 E 8.04 4.02 0.00 2.03 1.96 0.00 0.00 0.00 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 2.39 0.00 8 F 8.24 4.34 0.00 3.41 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 9 E 8.49 4.15 0.00 2.31 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 2.39 2.60 0.00 10 R 8.14 4.00 0.00 2.08 2.18 0.00 3.12 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 11 L 8.26 4.10 0.00 1.97 1.73 1.00 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 12 F 8.70 4.20 0.00 3.17 3.31 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 13 R 8.20 3.97 0.00 2.06 2.22 0.00 3.13 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 14 Q 8.17 4.05 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.71 0.00 15 A 8.42 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 16 A 7.55 4.54 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 17 G 8.37 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 0.00 0.00 0.00 18 L 8.02 4.95 0.00 1.79 1.68 1.16 0.89 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 19 D 9.39 5.13 0.00 2.58 2.53 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 0.00 20 V 8.30 4.71 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 0.49 0.00 0.00 0.57 0.00 0.00 21 D 8.71 4.90 0.00 2.78 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 22 K 8.48 3.72 0.00 1.78 1.90 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.55 7.81 23 N 8.22 4.21 0.00 2.81 2.85 0.00 0.00 6.98 8.08 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 24 D 7.97 4.03 0.00 2.71 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 25 L 7.64 3.47 0.00 1.61 1.33 0.91 0.33 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 26 K 7.60 3.82 0.00 1.75 1.73 0.00 1.49 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.40 1.45 7.81 27 R 7.33 3.78 0.00 1.64 1.87 0.00 3.06 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 28 V 8.03 3.27 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 0.74 0.00 0.00 0.79 0.00 0.00 29 S 8.27 4.13 0.00 3.86 3.86 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 30 D 8.00 4.33 0.00 2.80 2.71 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 31 F 8.23 4.21 0.00 3.06 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 32 L 8.11 3.82 0.00 1.70 1.67 0.85 0.77 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 33 R 8.27 3.87 0.00 2.00 2.12 0.00 3.23 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 34 N 8.35 4.38 0.00 2.85 2.84 0.00 0.00 7.08 8.60 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 35 K 7.62 3.88 0.00 1.84 1.80 0.00 1.60 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.94 1.38 7.81 36 L 8.10 3.92 0.00 1.81 1.86 0.89 0.84 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 37 Y 8.24 4.04 0.00 3.17 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 38 D 8.48 4.31 0.00 2.85 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.80 3.94 0.00 1.85 1.66 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.80 3.90 0.00 1.63 1.54 0.91 0.74 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 41 A 7.88 3.73 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 42 V 7.81 3.49 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 1.02 0.00 0.00 0.92 0.00 0.00 43 A 7.93 4.48 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 44 E 8.38 3.83 0.00 1.97 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 2.29 2.30 0.00 45 R 7.69 3.89 0.00 1.84 2.11 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 46 N 8.39 4.36 0.00 2.92 2.86 0.00 0.00 6.94 8.08 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 47 A 8.52 4.08 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 3.94 0.00 2.00 1.91 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.64 7.81 49 Y 8.12 4.12 0.00 3.05 3.19 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 0.00 0.00 0.00 50 N 7.92 4.89 0.00 2.86 2.85 0.00 0.00 7.00 7.29 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 51 G 7.77 3.92 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 0.00 0.00 0.00 52 R 8.06 4.69 0.00 2.03 2.01 0.00 3.29 0.00 0.00 3.07 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 53 D 8.59 4.91 0.00 2.61 2.64 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 0.00 0.00 0.00 54 L 7.54 4.75 0.00 1.64 1.44 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.30 4.42 1.75 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 1.20 0.50 0.86 0.00 0.00 56 F 9.34 4.84 0.00 2.96 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 57 E 9.19 3.92 0.00 2.05 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 2.41 2.38 0.00 58 P 0.00 4.36 0.00 2.12 2.13 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 59 D 8.25 4.49 0.00 2.90 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 60 L 7.81 4.37 0.00 1.79 1.59 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.45 0.00 2.14 2.05 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 62 I 7.35 4.13 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 1.32 0.60 0.90 0.00 0.00 63 A 8.16 4.22 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 64 K 8.75 3.85 0.00 1.82 1.83 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.53 7.81 65 G 7.99 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 66 L 7.81 3.97 0.00 1.71 1.79 0.89 0.76 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 67 Q 8.22 3.95 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 68 E 8.44 4.03 0.00 2.20 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 2.49 0.00 69 T 8.07 3.92 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 1.31 0.00 0.00 70 L 8.17 4.05 0.00 1.84 1.94 1.01 1.06 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 71 Q 7.96 4.05 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 72 E 8.36 4.12 0.00 2.18 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 2.49 2.49 0.00 73 F 8.27 4.17 0.00 2.99 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 74 R 8.05 3.74 0.00 1.99 1.94 0.00 3.40 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.98 0.00 75 R 7.11 4.12 0.00 1.86 1.86 0.00 3.18 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 *77 D 7.57 4.29 0.00 2.61 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 78 T 7.08 4.27 4.11 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 0.00 0.00 1.27 0.00 0.00 79 A 8.38 4.30 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 80 L 8.35 4.66 0.00 1.69 1.58 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.43 4.21 0.00 1.94 1.87 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 2.31 2.23 0.00 82 L 8.53 4.07 0.00 1.75 1.65 0.95 0.27 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 83 K 8.09 3.82 0.00 1.85 1.80 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.55 7.81 84 P 0.00 4.39 0.00 2.29 2.07 0.00 3.74 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 2.09 2.13 0.00 85 V 7.65 3.59 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 1.14 0.00 0.00 0.91 0.00 0.00 86 L 7.82 3.98 0.00 1.96 1.70 0.91 1.01 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 87 D 8.37 4.32 0.00 2.76 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 88 A 8.09 4.14 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 89 L 8.35 3.97 0.00 1.87 1.81 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.99 4.09 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 A 7.58 4.07 1.27 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 0.00 0.00 92 L 6.77 4.44 0.00 1.01 0.69 0.33 0.64 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 93 P 0.00 4.26 0.00 2.13 2.04 0.00 3.41 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 94 P 0.00 4.49 0.00 2.06 2.01 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 95 L 8.20 4.41 0.00 1.63 1.81 0.78 0.99 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 96 D 9.25 4.48 0.00 2.74 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 97 L 7.82 4.65 0.00 1.59 1.55 0.97 0.96 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 98 E 8.30 4.39 0.00 1.87 1.80 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 2.36 2.31 0.00 99 V 8.00 4.48 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 0.61 0.00 0.00 0.87 0.00 0.00 100 A 8.60 3.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.03 3.81 0.00 2.08 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 2.40 2.50 0.00 102 D 8.08 4.43 0.00 2.79 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 0.00 103 V 7.64 3.62 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 0.98 0.00 0.00 0.95 0.00 0.00 104 R 7.85 3.83 0.00 1.79 2.15 0.00 3.29 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 105 N 8.00 4.52 0.00 2.76 2.87 0.00 0.00 7.08 7.34 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 0.00 106 L 7.68 4.15 0.00 1.87 1.85 1.00 1.01 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 0.00 107 L 7.82 3.93 0.00 1.85 1.71 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.21 0.00 2.35 2.43 0.00 3.69 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 2.21 2.06 0.00 109 E 8.08 3.90 0.00 2.24 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 2.64 2.48 0.00 110 L 8.16 3.86 0.00 1.79 1.65 0.89 1.03 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 0.00 111 A 7.95 4.02 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 0.00 112 G 7.44 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 0.00 0.00 0.00 113 A 7.75 3.96 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 0.00 114 L 8.29 4.07 0.00 1.81 1.86 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.81 3.55 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 0.82 0.00 0.00 1.11 0.00 0.00 116 V 8.02 3.55 2.31 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 1.02 0.00 0.00 1.12 0.00 0.00 117 A 8.35 4.10 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.71 3.99 0.00 2.99 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 0.00 119 A 8.36 4.18 1.21 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 0.00 0.00 120 R 8.16 3.99 0.00 2.13 2.02 0.00 3.17 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.79 0.00 121 V 7.84 3.61 2.27 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 1.07 0.00 0.00 1.23 0.00 0.00 122 L 7.72 3.86 0.00 1.94 1.66 1.10 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.10 3.93 0.00 1.95 1.99 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 124 E 7.99 3.99 0.00 2.17 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 2.63 2.51 0.00 125 L 7.61 4.38 0.00 1.84 1.74 0.91 0.99 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 0.00 126 D 7.77 4.62 0.00 2.56 2.43 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 0.00 127 P 0.00 4.29 0.00 2.07 2.12 0.00 3.75 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 128 A 7.86 4.52 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 0.00 129 L 8.29 4.01 0.00 1.80 1.54 0.73 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.71 4.38 0.00 1.80 1.77 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.52 7.81 131 N 7.66 5.58 0.00 2.57 2.61 0.00 0.00 7.36 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 0.00 132 P 0.00 4.20 0.00 1.91 1.79 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 133 Q 8.44 4.74 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 134 T 8.63 3.91 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 1.19 0.00 0.00 135 E 7.98 4.18 0.00 1.82 1.84 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 2.34 2.20 0.00 136 H 8.12 4.22 0.00 3.24 3.26 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 H 7.93 4.31 0.00 3.31 3.31 0.00 5.91 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 0.00 138 E 8.37 3.91 0.00 2.08 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 2.29 2.60 0.00 139 R 7.86 3.92 0.00 1.97 1.95 0.00 3.09 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 140 A 8.18 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.44 3.64 0.00 1.95 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.07 0.00 142 R 7.68 3.98 0.00 1.98 2.03 0.00 3.18 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 143 V 8.07 3.82 2.43 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 1.13 0.00 0.00 1.05 0.00 0.00 144 F 8.85 4.16 0.00 3.71 3.46 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 0.00 0.00 0.00 0.00 145 N 8.68 4.32 0.00 3.00 3.01 0.00 0.00 7.10 8.49 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 0.00 146 L 7.81 4.23 0.00 1.73 1.75 0.95 1.36 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 0.00 147 L 7.82 4.65 0.00 1.48 1.59 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.70 4.32 0.00 1.69 1.51 0.78 0.24 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 * Residues marked with a * may have inaccurate shift predictions.