NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3708 8.3349 115.2547 57.6857 63.5921 173.5063 2 W 4.6270 8.7588 128.6773 59.1686 29.4608 176.9480 3 Q 4.1785 8.8676 120.5395 59.1580 29.2726 177.7095 4 A 4.0104 8.1074 121.6640 55.2684 18.2505 179.2128 5 Y 3.9838 8.0227 114.9651 60.9686 37.8661 178.9137 6 V 3.6876 7.9653 118.8736 66.0980 31.6825 177.5155 7 D 4.3413 8.2733 117.5739 57.6461 41.0279 178.4815 8 T 4.2157 8.0901 115.7148 66.1789 68.8295 177.6046 9 S 4.0854 7.8490 115.1608 61.5964 63.1619 176.1092 10 L 4.2970 8.2336 121.7102 57.4484 41.8548 179.3233 11 L 4.7212 8.0897 120.6705 56.9754 41.4557 179.3083 12 G 3.8406 7.7287 103.8137 46.3517 0.0000 175.0180 13 T 4.1260 7.6107 111.6334 62.3053 69.2007 176.0435 14 G 3.9622 7.8750 108.3871 45.7149 0.0000 174.0654 15 K 4.4144 7.9204 117.1336 55.8918 34.0165 176.0447 16 I 4.5982 7.5857 120.4298 59.4652 39.0913 175.3254 17 D 4.7730 8.4222 126.1261 54.5249 40.6312 177.0388 18 R 4.6853 7.5843 114.0355 54.6387 33.1970 173.9329 19 A 5.1221 8.5197 120.6940 51.1463 23.2951 175.0022 20 A 5.2822 9.5536 120.7883 50.4459 23.6658 175.3377 21 I 4.8278 8.9460 120.1858 59.7005 40.2020 175.3790 22 V 4.3948 8.1500 120.4156 58.6578 35.1994 175.3667 23 S 2.7900 7.8295 118.1660 58.3453 62.5196 175.5849 24 R 3.5314 7.7998 125.5897 59.3319 29.9255 177.8362 25 A 4.0148 7.4824 118.3223 52.5231 18.5289 177.8592 26 G 3.8146 7.9480 104.0634 46.2500 0.0000 174.2491 27 D 4.7909 7.7966 117.0759 52.7393 40.6253 175.6928 28 S 4.5943 7.2986 113.0919 57.6905 66.2299 173.8351 29 V 4.2808 8.2855 121.6436 61.6802 31.4555 175.6255 30 W 4.8195 9.0804 129.2288 59.1378 29.9097 176.7412 31 A 5.0467 7.9686 119.1190 50.9451 22.2260 175.0912 32 A 5.2488 8.8854 121.1635 50.6945 22.8064 176.7120 33 S 4.4946 9.1912 116.5507 57.5021 64.8557 173.7948 34 A 4.1602 8.6516 124.4933 54.3131 18.2971 178.3480 35 G 3.9228 9.0138 110.6928 45.5311 0.0000 173.8480 36 F 4.7024 8.0437 122.4977 56.8295 37.9191 173.1483 37 N 4.6023 8.2509 122.7634 51.2057 39.0180 174.6540 38 L 4.5117 7.9268 124.2129 52.9008 43.2303 177.7124 39 S 4.3753 8.5452 119.2379 57.1946 65.2364 173.4537 40 P 4.1921 0.0000 0.0000 66.1205 31.0949 178.9892 41 Q 4.1478 7.9893 116.0654 58.9052 28.6631 178.4936 42 E 3.9561 8.3187 119.9033 59.5064 29.6629 179.5806 43 I 3.7831 7.9003 112.9991 63.7428 37.6231 178.3583 44 Q 4.0262 8.2514 120.1895 58.8599 28.5802 178.7827 45 G 3.6260 8.1587 106.7547 47.6768 0.0000 175.5066 46 L 3.9581 8.0340 122.4624 57.8865 42.0178 178.9007 47 A 4.1042 8.0325 120.4065 55.1502 18.4113 179.5017 48 A 4.0564 8.2051 119.5518 55.0408 18.2842 179.9220 49 G 3.5230 7.9950 104.3734 48.2246 0.0000 175.9587 50 F 4.0706 7.9107 118.8592 60.1284 38.9371 177.5338 51 Q 4.3114 7.8194 117.0927 57.5725 30.0672 176.3033 52 D 4.7489 7.7858 118.6490 50.6853 41.9364 173.2090 53 P 4.3296 0.0000 0.0000 64.1741 31.9932 176.0538 54 P 4.5421 0.0000 0.0000 65.0903 31.0688 178.4989 55 S 4.3332 8.1542 113.3531 61.3057 62.8760 176.2760 56 M 4.1424 8.0480 123.8491 57.4604 31.3010 178.5276 57 F 4.3512 7.5731 116.5619 60.2401 39.0761 177.5533 58 G 3.7700 7.9206 105.3879 47.5392 0.0000 175.2954 59 T 4.2663 7.9570 111.2306 61.5740 69.5694 175.7077 60 G 3.9646 8.5359 108.4843 45.4134 0.0000 171.9338 61 I 4.2482 8.4758 119.3182 59.5998 38.2780 175.4043 62 I 4.9629 8.2901 127.3435 59.6969 37.8528 175.4382 63 L 4.7129 8.8480 124.9572 54.3992 45.7898 176.3752 64 A 3.8874 9.9168 124.2111 53.3367 16.1035 178.0060 65 G 3.9779 9.2441 106.9404 46.6302 0.0000 173.8608 66 Q 4.6394 8.0647 117.9138 53.6634 33.1743 174.2900 67 K 4.9315 8.3303 122.3355 55.1014 33.7660 174.9528 68 Y 4.5477 9.2076 126.4620 57.0466 39.9228 175.1569 69 I 4.2159 8.9928 125.4090 61.1835 38.3511 175.6863 70 T 4.2921 8.7147 124.8649 64.1808 68.6139 174.8150 71 I 4.6544 8.8731 126.7723 61.5491 39.9736 175.9839 72 R 4.7904 7.7045 120.8918 55.2470 33.5702 174.0759 73 A 4.5128 7.9666 126.7312 52.1516 20.6769 174.9382 74 E 4.7214 9.2118 119.2838 57.5590 34.8953 176.5835 75 G 3.8418 8.9061 115.6956 47.0376 0.0000 174.5087 76 R 4.6740 8.9934 121.9172 55.5468 30.3596 174.9698 77 S 5.3641 8.1950 116.0076 57.0980 66.0726 173.0476 78 I 4.6296 9.4447 125.6047 59.8317 40.2488 174.0229 79 Y 5.3379 9.1661 125.6080 56.2616 41.0512 175.3583 80 G 4.6631 9.0639 108.9055 44.7208 0.0000 171.2002 81 K 5.0057 9.1634 118.3501 54.4372 36.5961 175.7901 82 L 4.6843 8.9906 126.1217 53.9412 44.2296 178.8314 83 Q 3.3185 8.9465 128.6249 57.1245 27.9115 175.5439 84 K 4.4186 9.0097 128.9897 57.1186 33.0309 175.4249 85 E 4.3865 7.8571 120.0393 55.2285 32.0977 174.7517 86 G 3.8032 6.4976 106.4522 46.0777 0.0000 172.2238 87 I 5.0606 7.3820 112.4997 58.9540 41.0591 174.6357 88 I 4.7144 8.9871 124.8291 59.7465 40.2290 174.1682 89 C 5.9440 9.3168 124.9637 57.1760 31.1852 173.1937 90 V 5.1101 8.4300 123.2450 60.9888 34.2399 173.9043 91 A 4.4616 8.8581 130.8067 51.4146 19.4265 177.2922 92 T 4.5914 8.4225 114.4376 60.5261 71.0695 174.5543 93 K 4.1025 8.8867 118.9459 59.6803 32.5875 177.7479 94 L 4.5497 7.9539 117.2908 55.0722 43.5291 175.4465 95 C 4.7181 8.0454 112.0243 56.2172 33.8737 172.9851 96 I 4.4445 8.2165 119.9870 59.3375 39.3768 175.0321 97 L 4.4869 8.9685 128.1602 53.9653 43.2124 175.9282 98 V 4.6960 9.1608 124.7176 61.4014 33.8517 174.2399 99 S 5.0071 9.1355 125.1254 56.9591 65.5902 172.7974 100 H 5.2274 8.9528 125.2283 54.5114 32.2554 172.9134 101 Y 4.9606 7.9751 122.7631 54.4638 41.3449 173.8750 102 P 5.2123 0.0000 0.0000 61.2518 32.7836 176.4642 103 E 4.6045 8.8053 114.8214 57.9640 29.6330 177.7789 104 T 4.1349 7.8669 108.7809 62.9447 69.5500 174.1547 105 T 4.5429 7.3464 117.0321 59.6291 69.4416 173.7837 106 L 4.0657 8.2693 128.5010 53.9952 42.4108 176.2363 107 P 3.3934 0.0000 0.0000 65.9249 30.8860 178.9655 108 G 3.5113 7.8548 104.7239 47.4774 0.0000 175.4820 109 E 3.8991 7.9182 120.6022 58.9896 29.6342 179.1258 110 A 3.7968 7.5209 120.0716 54.9446 18.3460 179.1702 111 A 3.5669 7.7064 119.3309 55.2072 18.4290 179.8279 112 K 3.8833 8.0441 117.9575 59.6559 32.2655 179.0896 113 I 3.6808 7.8152 120.1289 64.6027 37.0507 178.1168 114 T 4.1392 7.7904 112.9017 64.2466 67.1707 176.5496 115 E 4.0083 8.4971 120.9952 59.2192 29.5154 178.9887 116 A 4.0215 8.1265 120.7299 55.2758 18.4460 179.4417 117 L 4.1588 8.0585 118.5821 58.1967 41.9859 179.1251 118 A 4.0439 8.0593 120.8729 55.2363 18.3811 179.2975 119 D 4.3371 8.4931 117.7682 57.5682 40.8128 178.2711 120 Y 4.0831 8.6694 120.2872 60.9113 38.7983 178.2724 121 L 3.9738 8.3610 119.9327 57.8982 41.2712 179.8207 122 V 3.8251 8.2892 118.5916 65.8352 31.2273 178.3075 123 G 3.6079 8.2863 105.1111 47.8669 0.0000 175.5958 124 V 3.7371 7.6953 119.8614 63.7047 31.5499 176.1480 125 G 4.3652 7.2964 107.1797 46.0671 0.0000 173.4470 126 Y 4.2326 8.7335 123.7380 57.8802 38.9562 175.4102 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 1 S 8.33 4.37 0.00 3.79 3.77 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 2 W 8.76 4.63 0.00 3.70 3.37 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 3 Q 8.87 4.18 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 4 A 8.11 4.01 1.22 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 0.00 0.00 5 Y 8.02 3.98 0.00 3.49 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 6 V 7.97 3.69 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 1.19 0.00 0.00 1.09 0.00 0.00 7 D 8.27 4.34 0.00 2.75 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 8 T 8.09 4.22 4.25 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 0.00 0.00 1.14 0.00 0.00 9 S 7.85 4.09 0.00 4.09 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 10 L 8.23 4.30 0.00 1.89 1.70 1.01 0.97 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 11 L 8.09 4.72 0.00 1.87 1.72 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.73 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 13 T 7.61 4.13 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 1.26 0.00 0.00 14 G 7.87 3.96 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 0.00 0.00 0.00 15 K 7.92 4.41 0.00 1.72 1.80 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.51 7.81 16 I 7.59 4.60 2.05 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 1.48 1.06 0.97 0.00 0.00 17 D 8.42 4.77 0.00 2.62 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 18 R 7.58 4.69 0.00 1.25 1.77 0.00 2.63 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 0.00 19 A 8.52 5.12 1.25 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 0.00 0.00 0.00 0.00 0.00 20 A 9.55 5.28 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 21 I 8.95 4.83 1.90 0.00 0.00 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 1.26 0.90 0.51 0.00 0.00 22 V 8.15 4.39 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 0.58 0.00 0.00 0.69 0.00 0.00 23 S 7.83 2.79 0.00 3.29 3.51 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 24 R 7.80 3.53 0.00 1.84 1.85 0.00 3.25 0.00 0.00 2.96 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.73 0.00 25 A 7.48 4.01 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 26 G 7.95 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 0.00 0.00 0.00 27 D 7.80 4.79 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 28 S 7.30 4.59 0.00 4.01 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 29 V 8.29 4.28 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 0.88 0.00 0.00 0.85 0.00 0.00 30 W 9.08 4.82 0.00 3.02 2.88 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 0.00 0.00 0.00 31 A 7.97 5.05 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.89 5.25 1.26 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 0.00 0.00 33 S 9.19 4.49 0.00 3.97 4.06 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 34 A 8.65 4.16 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 35 G 9.01 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 36 F 8.04 4.70 0.00 2.90 3.16 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 0.00 0.00 0.00 0.00 37 N 8.25 4.60 0.00 2.69 2.70 0.00 0.00 7.12 7.85 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 38 L 7.93 4.51 0.00 1.42 1.42 0.73 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.55 4.38 0.00 4.04 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 40 P 0.00 4.19 0.00 2.16 2.13 0.00 3.57 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 41 Q 7.99 4.15 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 42 E 8.32 3.96 0.00 2.19 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 2.53 2.30 0.00 43 I 7.90 3.78 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.72 0.81 0.00 0.00 44 Q 8.25 4.03 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 45 G 8.16 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 3.96 0.00 1.92 1.84 0.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.03 4.10 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 48 A 8.21 4.06 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 49 G 8.00 3.52 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 0.00 50 F 7.91 4.07 0.00 3.20 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 51 Q 7.82 4.31 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.18 0.00 0.00 0.00 0.00 0.00 2.67 2.52 0.00 52 D 7.79 4.75 0.00 2.72 2.46 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 53 P 0.00 4.33 0.00 2.15 1.97 0.00 3.93 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 54 P 0.00 4.54 0.00 2.20 2.19 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 55 S 8.15 4.33 0.00 4.06 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 0.00 56 M 8.05 4.14 0.00 1.76 1.87 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 57 F 7.57 4.35 0.00 3.09 3.07 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 58 G 7.92 3.77 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 0.00 0.00 0.00 59 T 7.96 4.27 4.23 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 1.20 0.00 0.00 60 G 8.54 3.96 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 0.00 0.00 0.00 61 I 8.48 4.25 1.96 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 0.57 0.90 0.00 0.00 62 I 8.29 4.96 1.88 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 1.43 0.57 0.92 0.00 0.00 63 L 8.85 4.71 0.00 1.86 1.55 0.92 0.54 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 64 A 9.92 3.89 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 65 G 9.24 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 66 Q 8.06 4.64 0.00 1.86 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 67 K 8.33 4.93 0.00 1.71 1.64 0.00 1.95 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.44 7.81 68 Y 9.21 4.55 0.00 2.87 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 69 I 8.99 4.22 1.94 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 1.23 0.60 0.98 0.00 0.00 70 T 8.71 4.29 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 0.30 0.00 0.00 71 I 8.87 4.65 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.59 1.09 0.00 0.00 72 R 7.70 4.79 0.00 1.72 1.35 0.00 2.21 0.00 0.00 2.64 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.45 0.00 73 A 7.97 4.51 0.65 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 0.00 0.00 74 E 9.21 4.72 0.00 1.97 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 75 G 8.91 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 76 R 8.99 4.67 0.00 2.21 2.20 0.00 3.13 0.00 0.00 3.38 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 77 S 8.20 5.36 0.00 3.61 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 78 I 9.44 4.63 1.49 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.34 0.67 0.00 0.00 79 Y 9.17 5.34 0.00 2.79 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 80 G 9.06 4.66 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 81 K 9.16 5.01 0.00 1.73 1.73 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.61 7.81 82 L 8.99 4.68 0.00 1.22 1.37 0.74 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.95 3.32 0.00 2.18 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 84 K 9.01 4.42 0.00 1.79 1.85 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.40 7.81 85 E 7.86 4.39 0.00 2.04 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 86 G 6.50 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 87 I 7.38 5.06 1.64 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.36 0.64 0.00 0.00 88 I 8.99 4.71 1.77 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 1.19 0.80 0.61 0.00 0.00 89 C 9.32 5.94 0.00 3.19 3.16 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 0.00 0.00 0.00 0.00 90 V 8.43 5.11 2.13 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 0.96 0.00 0.00 1.08 0.00 0.00 91 A 8.86 4.46 0.61 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 92 T 8.42 4.59 4.46 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 1.30 0.00 0.00 93 K 8.89 4.10 0.00 1.77 1.90 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.64 7.81 94 L 7.95 4.55 0.00 1.92 2.00 0.56 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.05 4.72 0.00 2.27 2.38 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 96 I 8.22 4.44 1.58 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.24 0.75 0.00 0.00 97 L 8.97 4.49 0.00 1.55 1.61 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 98 V 9.16 4.70 2.32 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 1.20 0.00 0.00 0.95 0.00 0.00 99 S 9.14 5.01 0.00 3.75 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 0.00 100 H 8.95 5.23 0.00 2.93 2.92 0.00 5.72 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 7.98 4.96 0.00 3.06 2.88 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 0.00 0.00 0.00 102 P 0.00 5.21 0.00 2.27 2.28 0.00 4.09 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.94 0.00 103 E 8.81 4.60 0.00 2.13 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 0.00 2.29 2.28 0.00 104 T 7.87 4.13 4.26 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 1.23 0.00 0.00 105 T 7.35 4.54 4.23 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 1.46 0.00 0.00 106 L 8.27 4.07 0.00 1.66 1.50 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 3.39 0.00 2.20 2.35 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 108 G 7.85 3.51 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 0.00 109 E 7.92 3.90 0.00 2.08 1.92 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 2.27 2.25 0.00 110 A 7.52 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.71 3.57 1.19 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 0.00 112 K 8.04 3.88 0.00 1.97 1.91 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.49 7.81 113 I 7.82 3.68 1.83 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 1.38 0.43 0.90 0.00 0.00 114 T 7.79 4.14 4.26 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 1.23 0.00 0.00 115 E 8.50 4.01 0.00 2.09 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 2.63 2.63 0.00 116 A 8.13 4.02 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 0.00 0.00 117 L 8.06 4.16 0.00 1.95 1.90 1.19 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.06 4.04 1.46 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 0.00 0.00 119 D 8.49 4.34 0.00 2.96 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 0.00 120 Y 8.67 4.08 0.00 3.13 3.24 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 0.00 121 L 8.36 3.97 0.00 1.98 1.99 1.05 0.70 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 0.00 122 V 8.29 3.83 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 1.03 0.00 0.00 1.00 0.00 0.00 123 G 8.29 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 0.00 124 V 7.70 3.74 1.85 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 0.70 0.00 0.00 0.29 0.00 0.00 125 G 7.30 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 0.00 0.00 0.00 0.00 126 Y 8.73 4.23 0.00 2.80 3.01 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 0.00 0.00 0.00