NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3598 8.3031 124.0300 54.8325 33.0014 174.9343 3 G 3.6765 8.2012 114.5710 44.0995 0.0000 168.9382 4 D 4.4969 8.6820 119.5926 53.8258 42.3561 175.4644 5 K 3.8186 8.9774 126.5674 59.8770 32.1856 179.0084 6 K 3.9847 8.9077 118.7674 58.8044 31.9702 179.3340 7 V 3.5256 7.9694 118.2677 66.3192 31.3172 177.8694 8 I 3.7017 7.8744 119.3505 64.3948 36.9221 178.2046 9 Q 3.8879 7.9613 120.2391 59.4546 28.9269 177.8361 10 H 4.1006 8.5044 117.5557 59.1400 28.7248 177.6611 11 L 4.0819 8.3229 120.8697 58.0474 41.4308 179.4613 12 N 4.3486 8.5174 116.4296 55.6496 38.4120 177.5804 13 K 3.9060 8.0560 121.4725 59.4583 32.3590 178.6963 14 I 3.6795 8.1731 120.5496 64.5694 37.0704 178.0548 15 L 4.0554 8.3255 121.3181 58.0784 41.8686 179.2008 16 G 3.6395 8.0133 105.7275 47.8889 0.0000 175.4758 17 N 4.3560 8.0829 118.7679 55.9655 38.5299 177.1422 18 E 3.9280 8.2667 120.0669 59.7557 29.3753 179.6757 19 L 4.0391 8.0105 118.5888 57.5498 41.5952 179.7336 20 I 3.6420 7.5718 119.2982 64.3199 36.9946 178.3215 21 A 3.2907 7.9849 121.8604 54.7294 18.0965 179.4708 22 I 3.5602 7.8817 118.7957 64.9023 37.3249 178.3389 23 N 4.4375 7.7451 116.6986 55.9810 38.3680 177.4623 24 Q 3.8803 8.0284 121.0342 59.4843 29.1731 177.9727 25 Y 4.6745 8.0951 119.3954 60.4517 37.9263 178.0230 26 F 3.9870 8.4645 121.7635 61.1445 39.5137 177.0436 27 L 3.9563 8.0318 119.7295 58.4442 41.8592 178.2984 28 H 3.7958 8.3213 116.5452 58.9280 28.6089 177.2848 29 S 4.3058 8.4661 115.0322 61.9393 62.1192 176.6980 30 R 3.8907 7.7464 119.9391 58.8274 29.7281 179.1082 31 M 3.4726 7.8068 118.9329 57.9827 31.8405 178.4549 32 W 4.6922 7.8778 119.3237 60.1628 29.2271 178.3899 33 N 4.3760 8.4195 116.2297 56.4440 37.8003 176.9937 34 D 4.3609 8.0744 118.5142 56.9827 41.3614 177.6537 35 W 4.7946 8.0259 117.2081 56.9966 29.1961 177.1130 36 G 3.9816 8.0541 107.1623 46.5690 0.0000 175.7363 37 L 4.5346 8.0397 122.4005 53.5303 38.5436 177.3956 38 K 4.0466 8.5007 121.4309 58.8198 32.5273 179.1380 39 R 3.8939 7.9371 119.5437 59.2601 30.0037 178.5257 40 L 3.8122 7.7536 118.4730 57.5552 41.6080 179.4161 41 G 3.8280 8.4075 105.7118 47.9906 0.0000 175.5889 42 A 4.0678 8.4262 123.8453 55.0590 18.3863 179.2337 43 H 3.9871 8.4683 116.9444 59.2891 29.5422 177.1777 44 E 4.0145 8.5543 121.3588 59.1515 29.4900 178.0067 45 Y 4.1167 8.2265 119.7880 61.0607 38.8002 177.6313 46 H 3.9749 8.1742 118.5275 59.2593 29.9193 176.9171 47 E 3.8474 8.1060 120.2807 59.4356 29.2799 179.2997 48 S 4.2148 8.1884 113.0686 61.6635 62.5485 176.2179 49 I 3.5636 7.9180 122.7721 64.3831 36.6781 178.1916 50 D 4.2391 8.0739 119.9086 57.4287 40.5724 178.7031 51 E 3.9946 8.1379 118.9671 59.4557 29.3764 179.2332 52 M 4.0055 8.1496 118.9676 58.4132 32.0004 178.9663 53 K 4.0043 8.0702 118.5476 59.6199 32.2529 179.0901 54 H 4.2376 8.3613 116.4157 58.8902 28.5971 177.6432 55 A 3.9915 8.2861 122.7116 55.0770 18.2146 179.0250 56 D 4.2665 8.0488 116.5123 57.6812 41.3238 178.8289 57 K 4.0363 7.9021 118.3873 59.3021 31.9246 179.4767 58 L 3.9957 7.9196 119.1873 57.7693 41.5739 179.3027 59 I 3.7025 8.0863 120.1822 64.7049 37.0999 178.2631 60 E 4.0048 8.2171 119.0953 59.4334 29.2658 179.5178 61 R 4.0383 8.0309 118.7541 59.3032 30.1528 178.4937 62 I 3.7069 8.1620 120.0738 64.3951 37.0802 178.2293 63 L 3.9795 7.9319 119.7018 57.9929 41.2888 179.4464 64 F 4.2841 8.0916 119.0426 61.1504 39.6618 176.3394 65 L 3.8939 7.9929 116.1555 54.1505 41.4824 176.5991 66 E 4.0918 8.3232 117.9759 57.7755 27.0705 173.7917 67 G 4.0387 8.0179 107.0106 43.7460 0.0000 173.0261 68 L 4.5241 8.0235 118.9278 51.9567 42.2262 175.1209 69 P 4.3206 0.0000 0.0000 62.5770 31.6470 176.1644 70 N 4.6187 9.5973 123.1758 52.5721 37.9699 174.0662 71 L 4.5460 8.2077 123.8202 54.4692 42.4000 177.5722 72 Q 4.0719 8.4047 121.6723 58.0854 29.3272 175.7224 73 D 4.5071 8.1641 117.9437 53.0588 41.2646 175.4581 74 L 4.4275 8.2847 127.1085 52.7690 42.5844 176.2259 75 G 3.7992 8.2658 116.3757 44.8961 0.0000 170.7178 76 K 4.1350 8.3334 120.7585 55.2971 32.4959 176.7954 77 L 3.9962 8.4057 127.1428 54.6414 41.8157 177.0498 78 L 4.3179 8.8669 125.5686 53.9067 40.5929 175.7968 79 I 4.4193 8.1410 124.3917 59.3546 38.8571 176.0689 80 G 4.1878 8.6539 113.2701 44.1832 0.0000 172.9285 81 E 4.6175 9.1781 118.5094 56.4840 30.7687 176.2637 82 N 5.1102 7.6899 115.9622 50.3908 41.9532 175.1418 83 T 4.4448 8.5480 111.0815 65.0435 69.0333 176.2206 84 Q 3.9750 8.2230 121.9233 59.1533 29.0456 178.1372 85 E 4.0188 8.9267 119.8604 59.6137 29.5018 179.1362 86 M 3.8986 8.4450 119.1292 58.4771 31.9978 178.8615 87 L 4.1629 8.2325 118.9990 57.9292 41.7061 179.4172 88 Q 4.1269 8.1077 119.1453 59.1381 28.9660 178.0482 89 C 4.1921 8.4851 118.1983 62.8941 28.1494 175.6502 90 D 4.6755 8.3401 120.4007 57.5529 40.4941 178.7110 91 L 4.0145 8.5097 121.0222 58.2745 42.0657 178.6768 92 N 4.3742 8.5590 116.7400 56.2494 38.5049 177.0925 93 L 4.0039 8.1502 121.6413 58.3336 42.2214 178.9335 94 E 4.1358 8.6787 118.7864 59.4128 29.3765 179.3495 95 L 4.0569 8.1080 119.1929 57.5768 41.6648 179.5045 96 K 3.9722 8.2102 119.5066 59.3598 32.1686 178.6069 97 A 4.1962 8.1567 121.1413 55.6072 18.2072 179.5706 98 T 3.8670 7.9932 111.4677 64.8625 67.3311 176.3768 99 K 3.8326 8.0531 121.6875 59.9965 32.1942 178.4857 100 D 4.4178 8.2545 118.8004 57.1970 40.5996 178.7237 101 L 4.0106 7.9809 119.6919 57.9368 41.6106 179.7977 102 R 3.9284 8.0244 117.9588 59.2714 30.0861 179.0036 103 E 3.9803 8.0976 118.2461 59.2636 29.3470 179.2744 104 A 3.6323 8.0254 120.9491 55.0277 18.4429 179.7963 105 I 3.6427 8.0152 118.6384 64.3102 37.0952 178.7510 106 V 3.5826 7.7628 119.2365 66.2159 31.3537 177.6031 107 H 3.9664 8.0454 117.5400 59.4072 29.7300 176.7161 108 C 3.9631 8.2209 118.7923 62.9529 28.0154 175.9188 109 E 3.8427 8.2141 120.3840 59.3509 29.0539 178.4113 110 Q 3.9807 7.9666 117.1798 59.1459 28.9130 179.3100 111 V 3.9546 7.3879 109.2235 60.7968 31.7688 175.9417 112 H 3.0929 7.5648 114.2610 57.0751 26.7134 176.3478 113 D 4.5333 7.4781 120.8906 53.3446 38.0651 175.8020 114 Y 4.2630 7.4144 121.4863 60.4551 38.4217 177.8737 115 V 3.6297 7.8565 118.9643 66.0526 31.7892 178.0372 116 S 4.1350 8.3700 114.9447 61.6271 62.6881 176.4565 117 R 3.8811 8.0962 121.3384 59.6444 29.7633 177.9949 118 D 4.3053 8.4300 117.8044 57.2781 41.2695 177.6640 119 L 3.9412 8.0154 120.8544 58.3961 41.9348 178.8967 120 L 4.1285 7.8367 118.3594 57.0446 41.7644 179.0460 121 K 3.9610 8.5172 120.2331 59.5793 32.0725 178.6494 122 D 4.3456 8.1752 119.2309 57.3465 40.6857 178.6769 123 I 3.5135 7.6823 120.3768 64.2165 36.9693 178.2526 124 L 3.9301 8.3363 121.6404 57.9456 41.9291 178.5931 125 E 3.8968 8.1439 119.3476 59.4034 29.6002 178.7930 126 S 4.0812 7.8961 112.6679 61.4821 62.3728 176.0020 127 E 4.1703 8.5037 121.4773 59.3160 29.0500 179.1702 128 E 4.0043 8.5055 119.0768 59.4062 29.4604 179.1402 129 E 4.0232 8.3384 118.6765 59.6925 29.4417 179.1854 130 H 4.4058 8.2641 116.2904 58.9142 28.7267 177.8512 131 I 3.7506 8.1450 121.8724 64.4064 36.9955 177.7140 132 D 4.3479 8.4041 119.1214 57.6270 41.0235 177.6204 133 Y 4.1031 8.2161 119.7458 60.8275 38.8560 178.2248 134 L 3.6661 8.1426 119.6132 57.9184 41.7675 179.5116 135 E 3.9452 8.4609 118.7926 59.6047 29.3024 179.6109 136 T 3.8467 7.8805 115.8915 66.5915 68.4760 176.8270 137 Q 3.7474 7.7129 119.9692 58.7339 28.7637 178.7111 138 L 3.8628 7.6266 120.0133 57.7401 41.6359 179.9159 139 G 3.6631 8.3995 105.8761 47.4963 0.0000 175.7057 140 L 4.1051 7.8536 121.2607 57.4514 41.5126 179.3294 141 I 3.6072 7.4640 120.0021 64.3734 36.6917 178.4344 142 Q 3.9918 7.4015 116.8079 58.5832 28.6357 178.5051 143 K 4.1178 7.7199 118.3271 59.1565 32.3651 179.1239 144 V 4.1517 7.8600 109.3030 60.1271 32.8041 177.2275 145 G 4.0233 7.4689 106.0391 45.5669 0.0000 174.4172 146 L 3.9681 8.5494 122.7056 58.1031 42.0720 179.4650 147 E 3.9703 8.1087 117.9785 59.4720 29.5144 178.8217 148 N 4.3035 8.1552 116.0651 56.4282 38.4179 176.5888 149 Y 3.9956 8.1317 120.0904 60.7244 39.2233 177.9093 150 L 4.0481 8.2372 119.9744 57.6463 41.7236 178.9181 151 Q 3.9033 8.2627 119.8974 59.6726 28.7379 179.1397 152 S 4.1809 7.8347 113.5593 60.5455 62.9470 174.7468 153 H 4.5851 7.5634 118.1788 55.6015 29.3870 176.1468 154 M 3.9907 7.9323 121.3001 58.5648 32.2071 175.5859 155 H 5.1577 7.6215 114.1454 53.7130 30.5240 174.9414 156 E 4.1180 8.9084 122.2317 56.9797 29.2496 176.9321 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 K 8.30 4.36 0.00 1.56 1.73 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.03 7.81 3 G 8.20 3.68 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 0.00 0.00 0.00 4 D 8.68 4.50 0.00 2.80 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 5 K 8.98 3.82 0.00 1.93 1.78 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.12 7.81 6 K 8.91 3.98 0.00 1.83 1.66 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.45 1.31 7.81 7 V 7.97 3.53 2.23 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 1.17 0.00 0.00 0.92 0.00 0.00 8 I 7.87 3.70 1.98 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 1.39 0.59 0.89 0.00 0.00 9 Q 7.96 3.89 0.00 2.32 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 10 H 8.50 4.10 0.00 3.40 3.31 0.00 5.68 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 11 L 8.32 4.08 0.00 1.79 1.73 0.94 0.59 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 12 N 8.52 4.35 0.00 2.96 2.85 0.00 0.00 6.65 7.83 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 13 K 8.06 3.91 0.00 1.91 1.93 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.17 3.68 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.75 0.92 0.00 0.00 15 L 8.33 4.06 0.00 1.81 1.88 0.91 1.27 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 16 G 8.01 3.64 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 0.00 0.00 0.00 17 N 8.08 4.36 0.00 2.97 2.88 0.00 0.00 7.01 7.68 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 18 E 8.27 3.93 0.00 2.15 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 2.56 2.54 0.00 19 L 8.01 4.04 0.00 1.79 1.67 0.90 0.65 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 20 I 7.57 3.64 1.94 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 1.42 0.94 0.85 0.00 0.00 21 A 7.98 3.29 0.92 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 22 I 7.88 3.56 1.93 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 1.47 0.92 0.86 0.00 0.00 23 N 7.75 4.44 0.00 2.74 2.83 0.00 0.00 6.72 7.07 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 24 Q 8.03 3.88 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.62 2.28 0.00 25 Y 8.10 4.67 0.00 3.07 2.96 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 0.00 0.00 0.00 26 F 8.46 3.99 0.00 3.32 3.09 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 27 L 8.03 3.96 0.00 1.88 1.71 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.32 3.80 0.00 3.46 2.90 0.00 5.71 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.47 4.31 0.00 3.99 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 30 R 7.75 3.89 0.00 1.87 1.87 0.00 2.95 0.00 0.00 2.54 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 31 M 7.81 3.47 0.00 0.88 1.58 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.15 0.00 32 W 7.88 4.69 0.00 3.61 3.39 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 33 N 8.42 4.38 0.00 2.89 2.85 0.00 0.00 6.66 7.64 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 34 D 8.07 4.36 0.00 2.58 2.57 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 35 W 8.03 4.79 0.00 3.75 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 36 G 8.05 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 0.00 0.00 0.00 37 L 8.04 4.53 0.00 2.07 1.63 1.30 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.50 4.05 0.00 1.91 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.61 7.81 39 R 7.94 3.89 0.00 1.85 1.92 0.00 3.21 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 40 L 7.75 3.81 0.00 1.42 0.47 0.37 0.07 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 41 G 8.41 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 0.00 0.00 0.00 42 A 8.43 4.07 1.35 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 0.00 0.00 43 H 8.47 3.99 0.00 3.26 3.22 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.55 4.01 0.00 2.55 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 0.00 2.73 2.61 0.00 45 Y 8.23 4.12 0.00 3.12 3.20 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 46 H 8.17 3.97 0.00 3.29 3.33 0.00 5.84 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 47 E 8.11 3.85 0.00 2.24 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 2.36 2.22 0.00 48 S 8.19 4.21 0.00 4.08 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 49 I 7.92 3.56 1.71 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.17 0.78 0.00 0.00 50 D 8.07 4.24 0.00 2.84 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 51 E 8.14 3.99 0.00 2.04 2.12 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 2.70 2.44 0.00 52 M 8.15 4.01 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 53 K 8.07 4.00 0.00 1.93 1.85 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.58 7.81 54 H 8.36 4.24 0.00 3.49 3.42 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.29 3.99 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 56 D 8.05 4.27 0.00 2.92 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 57 K 7.90 4.04 0.00 1.99 1.85 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.49 7.81 58 L 7.92 4.00 0.00 1.88 1.72 0.97 0.76 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 59 I 8.09 3.70 2.04 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 1.52 0.76 0.92 0.00 0.00 60 E 8.22 4.00 0.00 2.16 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 2.34 2.57 0.00 61 R 8.03 4.04 0.00 1.98 2.09 0.00 3.29 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 62 I 8.16 3.71 2.01 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 0.53 0.92 0.00 0.00 63 L 7.93 3.98 0.00 2.00 1.78 0.93 1.09 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 64 F 8.09 4.28 0.00 3.01 3.30 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 65 L 7.99 3.89 0.00 1.87 1.60 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.32 4.09 0.00 1.99 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 2.09 2.29 0.00 67 G 8.02 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 68 L 8.02 4.52 0.00 1.61 1.61 0.91 0.98 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 69 P 0.00 4.32 0.00 2.03 2.00 0.00 3.66 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 2.03 2.08 0.00 70 N 9.60 4.62 0.00 2.62 2.83 0.00 0.00 7.16 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 71 L 8.21 4.55 0.00 1.62 1.64 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.40 4.07 0.00 1.98 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.16 4.51 0.00 2.69 2.58 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 74 L 8.28 4.43 0.00 1.52 1.55 0.88 1.06 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 75 G 8.27 3.80 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 0.00 0.00 0.00 76 K 8.33 4.14 0.00 1.72 1.73 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.41 4.00 0.00 1.64 1.58 0.88 1.02 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 78 L 8.87 4.32 0.00 1.79 1.70 1.01 1.07 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 79 I 8.14 4.42 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.80 0.91 0.00 0.00 80 G 8.65 4.19 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 0.00 0.00 0.00 81 E 9.18 4.62 0.00 1.99 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 2.26 0.00 82 N 7.69 5.11 0.00 2.84 2.83 0.00 0.00 6.02 7.22 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 83 T 8.55 4.44 5.32 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 1.59 0.00 0.00 84 Q 8.22 3.98 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 85 E 8.93 4.02 0.00 2.31 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 2.35 2.51 0.00 86 M 8.44 3.90 0.00 1.23 1.97 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.10 0.00 87 L 8.23 4.16 0.00 1.74 1.72 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.11 4.13 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.49 4.19 0.00 3.31 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.34 4.68 0.00 2.98 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 91 L 8.51 4.01 0.00 1.74 1.92 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.56 4.37 0.00 2.95 2.89 0.00 0.00 6.67 7.37 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 93 L 8.15 4.00 0.00 1.97 2.01 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.68 4.14 0.00 2.25 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 2.74 2.65 0.00 95 L 8.11 4.06 0.00 1.91 1.75 0.95 0.55 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 96 K 8.21 3.97 0.00 1.92 1.95 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.16 4.20 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 98 T 7.99 3.87 4.57 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 1.34 0.00 0.00 99 K 8.05 3.83 0.00 1.90 2.03 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.52 7.81 100 D 8.25 4.42 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 0.00 101 L 7.98 4.01 0.00 1.97 1.72 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.02 3.93 0.00 1.89 1.98 0.00 3.14 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 103 E 8.10 3.98 0.00 2.16 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 2.35 2.45 0.00 104 A 8.03 3.63 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 0.00 105 I 8.02 3.64 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 0.93 0.93 0.00 0.00 106 V 7.76 3.58 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 1.01 0.00 0.00 0.93 0.00 0.00 107 H 8.05 3.97 0.00 3.39 3.28 0.00 5.86 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 0.00 108 C 8.22 3.96 0.00 3.13 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 0.00 109 E 8.21 3.84 0.00 2.21 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 2.37 2.47 0.00 110 Q 7.97 3.98 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 111 V 7.39 3.95 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 0.79 0.00 0.00 0.98 0.00 0.00 112 H 7.56 3.09 0.00 3.21 3.30 0.00 5.64 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.48 4.53 0.00 2.63 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.41 4.26 0.00 3.09 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 0.00 115 V 7.86 3.63 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 1.08 0.00 0.00 1.00 0.00 0.00 116 S 8.37 4.13 0.00 4.14 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 0.00 117 R 8.10 3.88 0.00 1.91 2.27 0.00 3.16 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 118 D 8.43 4.31 0.00 3.05 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 3.94 0.00 1.93 1.84 0.93 0.53 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 0.00 120 L 7.84 4.13 0.00 1.90 1.68 0.92 0.83 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 0.00 121 K 8.52 3.96 0.00 1.96 2.06 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.36 7.81 122 D 8.18 4.35 0.00 2.90 2.69 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 0.00 123 I 7.68 3.51 1.93 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 1.20 0.80 0.77 0.00 0.00 124 L 8.34 3.93 0.00 1.81 1.84 0.94 0.72 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 0.00 125 E 8.14 3.90 0.00 2.10 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 2.33 0.00 126 S 7.90 4.08 0.00 3.96 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 0.00 127 E 8.50 4.17 0.00 2.05 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 2.62 2.53 0.00 128 E 8.51 4.00 0.00 2.16 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 2.36 2.55 0.00 129 E 8.34 4.02 0.00 2.18 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 2.36 2.49 0.00 130 H 8.26 4.41 0.00 3.59 3.42 0.00 5.64 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 0.00 131 I 8.14 3.75 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.91 0.95 0.00 0.00 132 D 8.40 4.35 0.00 2.92 2.93 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 0.00 133 Y 8.22 4.10 0.00 3.18 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 0.00 134 L 8.14 3.67 0.00 2.10 1.68 1.08 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.46 3.95 0.00 1.95 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 2.31 2.51 0.00 136 T 7.88 3.85 4.31 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 1.17 0.00 0.00 137 Q 7.71 3.75 0.00 1.80 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 1.35 1.92 0.00 138 L 7.63 3.86 0.00 1.91 1.61 0.82 1.01 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 0.00 139 G 8.40 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.85 4.11 0.00 1.77 1.83 1.02 0.70 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 0.00 141 I 7.46 3.61 1.78 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 -0.02 0.82 0.00 0.00 142 Q 7.40 3.99 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 143 K 7.72 4.12 0.00 1.71 1.86 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.70 7.81 144 V 7.86 4.15 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 0.77 0.00 0.00 1.09 0.00 0.00 145 G 7.47 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 0.00 0.00 0.00 146 L 8.55 3.97 0.00 1.76 1.68 0.95 0.94 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 0.00 147 E 8.11 3.97 0.00 2.05 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 2.39 2.39 0.00 148 N 8.16 4.30 0.00 3.07 2.89 0.00 0.00 6.74 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 8.13 4.00 0.00 2.99 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 0.00 150 L 8.24 4.05 0.00 1.87 1.71 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.26 3.90 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 152 S 7.83 4.18 0.00 3.77 3.64 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 0.00 153 H 7.56 4.59 0.00 2.87 3.03 0.00 5.81 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.93 3.99 0.00 1.73 2.09 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 2.54 2.38 0.00 155 H 7.62 5.16 0.00 3.14 3.16 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.91 4.12 0.00 1.94 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 2.32 2.32 0.00