NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4027 8.3044 120.3267 55.0019 33.7199 174.1779 2 V 4.2039 7.8486 119.3263 61.0944 32.7280 172.9603 3 Y 4.7735 8.6386 128.9533 55.7408 42.2467 173.3638 4 Q 4.4960 7.9233 127.8638 54.7750 29.8013 175.6105 5 V 3.8006 7.8180 120.7856 61.5931 31.6638 176.8988 6 K 4.1124 8.9351 123.8311 58.3878 32.7799 176.6259 7 D 4.4322 7.3585 116.8727 51.4574 42.6308 176.3145 8 K 3.9187 8.3303 119.1103 59.6312 32.0977 178.1310 9 A 3.9920 8.1370 120.4986 55.3708 18.2780 178.8288 10 D 4.3257 7.9272 115.0188 57.3527 41.2786 178.1930 11 L 3.9604 7.9782 120.7051 58.5055 42.2785 178.6129 12 D 4.6536 8.4445 119.0128 57.3967 40.7125 179.3447 13 G 3.5702 8.1331 106.2128 47.8695 0.0000 175.6674 14 Q 4.0079 8.3357 122.4343 58.6300 28.7915 178.3424 15 L 4.0103 8.2469 120.0028 58.0957 41.7171 179.3436 16 T 4.0446 7.8631 109.4102 64.7206 68.4380 176.7585 17 K 4.0631 8.0248 120.4532 59.0863 32.3761 178.8971 18 A 4.0271 8.0926 120.6426 50.8642 18.2553 180.8180 19 S 3.6815 8.1536 110.5065 59.5998 62.2026 172.6707 20 G 4.0210 9.1854 105.6663 45.0927 0.0000 173.9469 21 K 4.2990 7.8384 119.4856 55.7004 33.1671 176.7501 22 L 4.2533 8.3691 125.3018 55.3412 43.3155 175.6841 23 V 4.7123 9.1671 126.7423 61.2683 33.8344 174.2513 24 V 4.2455 8.6372 128.5169 61.3184 33.2613 174.2073 25 L 4.6060 8.8642 129.5978 53.3587 43.4801 175.2243 26 D 4.6841 8.7318 125.3075 52.4183 42.5558 174.9734 27 F 4.7735 8.7822 126.9271 56.8563 40.0310 175.0894 28 F 5.2524 9.1006 118.1134 55.2099 41.9986 173.0702 29 A 4.0889 7.6188 118.9124 49.8507 22.0281 177.3285 30 T 3.9577 8.0234 109.0306 63.3127 69.3061 175.5803 31 W 4.5297 7.0434 117.3825 56.8619 28.9468 176.9410 32 C 4.6539 7.2675 121.3233 55.5484 37.9227 173.7394 33 G 3.6288 8.6902 115.3864 47.6896 0.0000 173.1686 34 P 4.3580 0.0000 0.0000 65.3179 31.0533 179.4099 35 C 4.3412 8.0573 114.1142 60.0279 37.8903 175.8277 36 K 4.0415 7.8244 121.2008 58.7633 31.3715 179.1962 37 M 4.0542 7.7530 117.6962 58.4973 32.5276 177.6545 38 I 4.0005 7.7603 117.5342 62.7178 37.8414 177.5306 39 S 4.0913 7.5444 116.2673 61.8373 62.7373 174.7914 40 P 4.3026 0.0000 0.0000 65.5393 31.1155 178.6388 41 K 3.9770 7.9963 118.0253 59.0961 32.1740 178.5270 42 L 3.8674 8.0569 120.7318 58.1649 42.1178 178.8852 43 V 3.5470 7.8593 118.2799 66.0344 31.3387 177.2818 44 E 3.8491 8.1126 118.7540 59.6406 29.5056 178.9994 45 L 4.1475 7.9119 118.8073 57.6248 41.3920 179.7490 46 S 4.2359 8.0519 113.8315 61.7484 63.0440 176.4876 47 T 3.9935 7.6627 118.4791 66.3094 68.2903 176.1561 48 Q 3.8837 8.2015 120.8016 57.9441 29.6546 176.8893 49 F 5.0794 8.0849 118.2465 56.7543 39.8516 177.3404 50 A 4.0903 8.2426 125.0699 55.5129 18.5792 178.8991 51 D 4.8293 8.0715 112.4820 54.9576 40.9096 176.4413 52 N 5.1287 7.9958 115.3260 52.6653 42.3862 174.2045 53 V 4.8223 8.1423 117.5199 60.9765 35.1048 174.6549 54 V 4.3814 8.8297 127.0947 61.1345 33.9520 174.1360 55 V 4.6327 8.4009 127.8508 61.4063 33.4379 174.0235 56 L 5.0655 8.8435 128.3330 52.9175 44.6453 175.4981 57 K 4.6826 8.6246 122.7979 54.7392 34.7782 175.7758 58 V 3.9634 8.4033 124.3523 60.6247 33.9779 174.2223 59 D 4.1136 8.5831 128.6019 53.8468 41.1045 177.2195 60 V 3.6872 8.2209 122.1817 64.5762 31.7984 177.8904 61 D 4.5283 7.7665 119.0581 57.0920 40.9132 177.5688 62 E 4.1651 8.2348 117.5482 58.4025 30.6252 176.8119 63 C 4.8881 7.9103 115.9384 58.0037 28.1090 174.5210 64 E 4.1669 7.9878 122.0001 59.3699 29.6072 178.7108 65 D 4.4178 8.0991 118.7408 57.2551 40.9170 178.7242 66 I 3.9159 7.6762 119.6656 64.2953 37.4041 177.7910 67 A 3.9469 8.0147 121.4732 55.7456 18.2756 179.6700 68 M 4.0063 8.0796 116.9079 58.4262 31.7971 178.5151 69 E 3.8942 7.9941 118.4130 59.1687 29.8985 177.6190 70 Y 4.0894 7.9016 113.2638 56.6059 38.5404 174.9467 71 N 4.1408 7.8166 115.9562 53.9201 36.9123 174.9137 72 I 3.7435 7.5572 118.0801 61.6265 37.9752 175.9932 73 S 4.4511 8.6416 117.3284 59.6321 64.8018 174.5264 74 S 4.8168 7.7967 114.8948 56.8497 64.5622 173.3036 75 M 4.7940 8.0546 120.6508 53.1361 35.8474 173.4824 76 P 4.5988 0.0000 0.0000 62.7931 33.5429 174.8088 77 T 4.6372 7.9819 117.5151 61.8259 71.2649 173.1958 78 F 4.8586 8.5880 125.7039 55.7324 41.0368 174.8212 79 V 4.7697 8.4519 124.2352 60.9823 34.3666 174.2526 80 F 5.1875 9.2518 125.9047 55.8950 41.7920 174.0345 81 L 5.3181 9.0899 124.5093 52.8066 44.9488 175.9777 82 K 4.6157 9.0253 124.0317 54.9340 35.4024 175.7193 83 N 4.1832 10.0099 128.0988 54.6869 37.2957 174.9143 84 G 3.9669 8.3690 104.2265 45.3205 0.0000 173.7866 85 V 3.9114 7.6672 121.0041 61.4844 31.8405 175.2506 86 K 4.6190 8.5039 129.0679 56.4541 30.6462 176.0625 87 V 3.9531 8.8809 126.2427 65.1656 32.3069 175.2979 88 E 4.9680 8.0687 117.3954 55.1630 34.5579 173.9228 89 E 5.6519 8.7769 119.0946 55.7896 32.6608 174.0112 90 F 5.2230 9.0624 120.3451 56.0147 41.9474 172.4928 91 A 5.0004 9.0952 120.0765 50.6521 22.1810 176.4763 92 G 4.0191 9.5197 105.5596 45.6399 0.0000 174.3870 93 A 4.5802 8.2283 123.5724 51.0575 17.7241 179.9309 94 N 4.7359 7.9454 121.1594 51.2008 39.0272 173.5710 95 A 4.0032 8.4215 128.9173 55.0447 18.5237 179.2169 96 K 3.8710 7.9875 116.0816 59.5573 32.1939 179.3588 97 R 3.5935 8.2181 119.0027 59.1501 29.9611 178.2159 98 L 4.1867 8.0043 120.1102 58.2033 42.0591 178.6593 99 E 3.9531 8.1412 119.1380 59.3688 29.5589 178.3087 100 D 4.2803 8.3171 119.3530 57.5273 40.6879 179.1323 101 V 3.3316 7.6984 117.5650 65.7405 31.6922 177.8782 102 I 3.8133 7.5012 119.0483 64.4761 36.5401 178.6623 103 K 3.7333 8.0499 118.9838 59.1811 31.5931 179.1381 104 A 4.1486 8.0784 120.1360 53.7756 18.2440 178.2986 105 N 4.9234 7.5047 113.9913 52.6454 39.4656 174.8169 106 I 4.1450 7.2761 119.2290 61.1635 37.8755 174.7419 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 M 8.30 4.40 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 2 V 7.85 4.20 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 0.62 0.00 0.00 0.90 0.00 0.00 3 Y 8.64 4.77 0.00 2.91 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 4 Q 7.92 4.50 0.00 1.90 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.72 0.00 0.00 0.00 0.00 0.00 2.16 2.47 0.00 5 V 7.82 3.80 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 0.68 0.00 0.00 0.82 0.00 0.00 6 K 8.94 4.11 0.00 1.77 1.86 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.59 7.81 7 D 7.36 4.43 0.00 2.82 2.75 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 0.00 0.00 0.00 8 K 8.33 3.92 0.00 1.90 1.88 0.00 1.79 0.00 0.00 1.96 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.57 7.81 9 A 8.14 3.99 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 10 D 7.93 4.33 0.00 3.04 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 11 L 7.98 3.96 0.00 1.82 1.89 0.88 1.40 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 12 D 8.44 4.65 0.00 2.95 2.75 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 0.00 0.00 0.00 13 G 8.13 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 14 Q 8.34 4.01 0.00 2.45 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 15 L 8.25 4.01 0.00 1.81 1.75 1.01 0.95 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 16 T 7.86 4.04 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 1.31 0.00 0.00 17 K 8.02 4.06 0.00 1.98 1.89 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.56 7.81 18 A 8.09 4.03 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 19 S 8.15 3.68 0.00 4.06 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 20 G 9.19 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 21 K 7.84 4.30 0.00 1.80 1.93 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.40 7.81 22 L 8.37 4.25 0.00 1.75 1.57 1.12 1.33 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 23 V 9.17 4.71 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 0.93 0.00 0.00 0.95 0.00 0.00 24 V 8.64 4.25 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 0.76 0.00 0.00 1.01 0.00 0.00 25 L 8.86 4.61 0.00 1.43 0.92 0.55 -0.12 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 26 D 8.73 4.68 0.00 2.77 2.39 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 27 F 8.78 4.77 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 9.10 5.25 0.00 2.96 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 29 A 7.62 4.09 -0.20 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 30 T 8.02 3.96 4.27 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 1.28 0.00 0.00 31 W 7.04 4.53 0.00 3.53 3.25 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 32 C 7.27 4.65 0.00 1.95 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 33 G 8.69 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 34 P 0.00 4.36 0.00 2.21 2.19 0.00 3.65 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 2.17 2.24 0.00 35 C 8.06 4.34 0.00 3.09 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 36 K 7.82 4.04 0.00 1.94 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.48 7.81 37 M 7.75 4.05 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 38 I 7.76 4.00 2.01 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 1.52 1.20 1.20 0.00 0.00 39 S 7.54 4.09 0.00 4.02 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 40 P 0.00 4.30 0.00 2.15 2.09 0.00 3.74 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 2.11 2.13 0.00 41 K 8.00 3.98 0.00 1.87 1.98 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.55 7.81 42 L 8.06 3.87 0.00 2.00 1.78 0.96 0.73 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 43 V 7.86 3.55 2.19 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 0.91 0.00 0.00 0.93 0.00 0.00 44 E 8.11 3.85 0.00 2.20 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 0.00 2.26 2.33 0.00 45 L 7.91 4.15 0.00 1.98 1.90 0.99 1.03 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 46 S 8.05 4.24 0.00 4.05 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 47 T 7.66 3.99 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 1.17 0.00 0.00 48 Q 8.20 3.88 0.00 1.90 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.40 0.00 0.00 0.00 0.00 0.00 1.55 2.06 0.00 49 F 8.08 5.08 0.00 3.33 2.91 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 50 A 8.24 4.09 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 51 D 8.07 4.83 0.00 2.73 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 52 N 8.00 5.13 0.00 2.76 2.77 0.00 0.00 6.42 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 53 V 8.14 4.82 2.29 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 0.87 0.00 0.00 0.93 0.00 0.00 54 V 8.83 4.38 2.09 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 0.97 0.00 0.00 0.94 0.00 0.00 55 V 8.40 4.63 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 0.91 0.00 0.00 0.95 0.00 0.00 56 L 8.84 5.07 0.00 1.49 1.39 0.92 0.61 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 57 K 8.62 4.68 0.00 1.48 1.51 0.00 1.22 0.00 0.00 0.88 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.10 1.11 7.81 58 V 8.40 3.96 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 0.86 0.00 0.00 0.29 0.00 0.00 59 D 8.58 4.11 0.00 2.64 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.22 3.69 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 0.82 0.00 0.00 0.88 0.00 0.00 61 D 7.77 4.53 0.00 2.72 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 62 E 8.23 4.17 0.00 1.90 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 2.26 2.39 0.00 63 C 7.91 4.89 0.00 2.96 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 7.99 4.17 0.00 2.02 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 2.60 2.51 0.00 65 D 8.10 4.42 0.00 2.75 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 66 I 7.68 3.92 2.15 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 1.57 0.93 1.18 0.00 0.00 67 A 8.01 3.95 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 68 M 8.08 4.01 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 69 E 7.99 3.89 0.00 2.07 2.29 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 1.81 2.18 0.00 70 Y 7.90 4.09 0.00 2.45 2.56 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 71 N 7.82 4.14 0.00 2.82 2.83 0.00 0.00 6.93 6.80 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 72 I 7.56 3.74 1.74 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 1.35 0.48 0.84 0.00 0.00 73 S 8.64 4.45 0.00 3.92 3.90 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 74 S 7.80 4.82 0.00 3.89 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 75 M 8.05 4.79 0.00 1.78 1.81 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 76 P 0.00 4.60 0.00 1.28 1.97 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.07 0.00 77 T 7.98 4.64 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 78 F 8.59 4.86 0.00 2.29 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.45 4.77 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 1.20 0.00 0.00 1.06 0.00 0.00 80 F 9.25 5.19 0.00 3.21 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 81 L 9.09 5.32 0.00 1.61 1.61 1.06 0.75 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 82 K 9.03 4.62 0.00 1.81 1.65 0.00 1.81 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.40 7.81 83 N 10.01 4.18 0.00 2.83 2.82 0.00 0.00 7.32 7.98 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 84 G 8.37 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 0.00 0.00 0.00 85 V 7.67 3.91 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 1.05 0.00 0.00 0.96 0.00 0.00 86 K 8.50 4.62 0.00 1.85 1.82 0.00 2.00 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.63 7.81 87 V 8.88 3.95 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 0.81 0.00 0.00 1.03 0.00 0.00 88 E 8.07 4.97 0.00 1.76 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 2.27 2.33 0.00 89 E 8.78 5.65 0.00 2.11 1.91 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 2.28 2.50 0.00 90 F 9.06 5.22 0.00 3.20 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 91 A 9.10 5.00 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 92 G 9.52 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 93 A 8.23 4.58 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 94 N 7.95 4.74 0.00 2.88 2.84 0.00 0.00 6.90 7.70 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 95 A 8.42 4.00 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 96 K 7.99 3.87 0.00 1.87 1.81 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.42 7.81 97 R 8.22 3.59 0.00 1.63 1.47 0.00 2.71 0.00 0.00 2.74 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.57 0.00 98 L 8.00 4.19 0.00 1.76 1.80 0.56 0.38 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 99 E 8.14 3.95 0.00 2.12 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 2.34 2.45 0.00 100 D 8.32 4.28 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.70 3.33 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 -0.38 0.00 0.00 0.76 0.00 0.00 102 I 7.50 3.81 1.95 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 1.52 0.50 0.65 0.00 0.00 103 K 8.05 3.73 0.00 1.91 1.78 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.39 1.33 7.81 104 A 8.08 4.15 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 0.00 105 N 7.50 4.92 0.00 2.62 2.80 0.00 0.00 6.72 7.50 0.00 0.00 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 I 7.28 4.15 1.76 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 1.16 0.66 0.81 0.00 0.00