NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.1685 8.3344 116.7770 58.4428 64.8177 174.1226 5 V 3.6893 7.5080 124.7857 60.8072 30.5567 170.2501 6 V 3.9745 8.8615 128.3679 62.3425 33.5609 174.9127 7 K 4.7509 8.1278 123.0343 54.3064 35.9017 177.4122 8 S 4.2215 8.8689 117.8782 62.1290 62.8259 176.4478 9 E 3.9841 8.0689 116.4460 57.8865 29.3961 176.7049 10 D 4.6606 7.9154 119.1424 54.2190 40.8873 177.8592 11 Y 4.1425 7.1203 119.8016 59.9665 38.0358 177.7228 12 A 4.2131 7.1607 122.3789 54.5108 18.7666 177.7408 13 L 4.3471 7.1089 114.6299 53.1745 42.5705 175.1810 14 P 4.3001 0.0000 0.0000 63.1994 31.7147 175.6653 15 S 4.8573 8.3526 115.2256 56.4162 66.0745 172.3365 16 Y 4.5368 8.3309 121.0560 56.6894 39.6637 174.8588 17 V 4.1743 6.6039 117.5311 60.0852 35.6793 173.8561 18 D 4.5885 8.3728 123.9193 52.7397 41.2720 176.0388 19 R 4.5069 7.8700 123.9529 54.2891 33.1668 176.0554 20 R 3.6372 8.6505 124.2491 58.6915 30.1807 176.9993 21 D 4.8266 7.9870 114.3770 53.4007 40.4132 175.9881 22 Y 4.7616 7.6368 120.4960 54.9646 38.5417 172.5126 23 P 4.3663 0.0000 0.0000 64.7827 31.8836 177.3760 24 L 4.6533 7.2546 119.5696 51.5334 41.0524 174.1449 25 P 4.5765 0.0000 0.0000 62.2458 32.0469 177.5758 26 D 4.4967 8.8405 119.0658 56.9465 40.8610 176.8948 27 V 4.5496 7.1595 106.8706 59.2042 35.6747 174.5524 28 A 4.4790 8.2172 123.4798 51.3831 19.7297 176.9884 29 H 3.6839 8.4864 122.4128 58.5060 29.8425 175.7651 30 V 4.1573 7.5000 119.1158 60.7906 32.6036 174.9069 31 K 4.0875 8.5622 126.6433 58.1678 33.5137 176.2894 32 N 4.6072 7.8937 116.9208 51.8637 38.1375 174.2070 33 L 4.4638 8.1136 123.6650 53.4402 43.3673 177.7727 34 S 4.5342 8.1929 117.0705 57.0220 65.9933 175.1324 35 A 3.9659 8.3811 122.7248 55.5493 18.1852 179.8640 36 S 4.1130 8.0522 112.0957 61.5579 62.8761 176.6732 37 Q 3.9312 7.8081 121.2528 58.8984 28.5867 178.5503 38 K 3.9620 8.4308 119.5794 59.3550 32.0069 179.3109 39 A 3.9880 8.0055 121.1902 54.9237 18.3165 179.3646 40 L 3.9090 7.6953 118.4064 58.4037 41.9867 179.2890 41 K 3.9593 8.2028 117.4274 59.6153 32.2248 178.7970 42 E 4.1687 8.0033 118.5524 59.0762 29.3836 179.0762 43 K 4.0112 8.1761 119.7330 59.3545 31.9762 178.3772 44 E 4.1640 8.2324 119.0312 59.1711 29.5776 178.6104 45 K 4.1850 8.1196 117.0510 57.2859 32.3077 176.8635 46 A 4.5244 7.3592 122.0901 49.8394 20.3576 176.4734 47 S 3.8295 8.4216 112.6749 58.7083 62.8139 175.6859 48 W 4.6662 8.5867 126.2435 58.9534 29.2489 178.4927 49 S 4.2969 7.7463 114.1566 61.4596 62.3218 175.7843 50 S 4.3431 7.6863 114.4299 60.1652 62.8581 174.5400 51 L 4.3814 7.5873 121.6251 54.2725 42.1676 177.5909 52 S 4.5549 9.4730 118.8510 57.4131 65.5952 175.3837 53 I 3.6543 8.2840 123.7827 65.1608 37.0646 178.4211 54 D 4.5917 8.1231 118.5771 57.2017 40.5141 178.7000 55 E 4.0353 7.9629 118.7999 59.0452 29.7150 179.0465 56 K 3.8528 8.6093 118.8728 59.6142 32.1549 179.5104 57 V 3.6123 8.2634 118.7547 65.9768 31.1944 177.7016 58 E 4.0060 7.8389 117.8246 59.1916 29.5604 178.4608 59 L 4.1035 8.2005 119.3731 57.7016 41.6226 178.9173 60 Y 4.0722 7.9975 119.3273 60.7816 38.7006 177.7736 61 R 4.5538 7.9405 117.1356 57.1668 30.3179 178.2587 62 L 4.1509 7.4290 120.0983 57.2520 41.9842 178.8243 63 K 3.6185 7.5383 118.8949 57.2801 31.9989 176.2404 64 F 5.2340 7.1867 116.3397 55.4963 42.3035 175.6560 65 K 3.9432 8.7856 123.3570 58.1367 32.4970 176.6001 66 E 4.8717 7.8038 115.8799 54.0630 32.4453 176.8491 67 S 5.3393 8.3256 118.3467 57.1276 65.5317 175.4702 68 F 3.8408 8.9753 120.2588 60.8974 38.4911 177.6176 69 A 4.0375 8.2506 118.2130 55.4112 17.7409 179.1730 70 E 4.1095 8.0230 116.9255 59.7487 29.4787 179.2618 71 M 4.2331 8.0642 115.4477 57.5517 31.4449 177.1944 72 N 4.7611 7.9329 116.4771 52.1437 39.2083 175.3265 73 R 4.1744 7.0396 116.9919 55.9725 30.3305 176.1961 74 S 4.7272 8.3770 114.3382 57.1677 64.9129 173.2345 75 T 4.6225 8.2146 111.5442 60.4842 71.3987 173.5755 76 N 4.7780 8.3494 115.4269 53.2024 39.0707 176.5713 77 E 3.8969 8.2855 122.5652 59.2458 29.5163 178.8138 78 W 4.3865 8.4011 116.1003 59.8496 27.9724 178.0665 79 K 3.0964 6.1806 118.4425 59.1086 31.2167 179.3960 80 T 3.7199 7.3574 115.2283 66.6966 68.4669 176.3723 81 V 3.6022 7.7510 120.0072 66.4108 31.5345 177.6241 82 V 3.7516 8.6195 117.9235 66.3542 31.3277 178.0060 83 G 3.7775 8.2582 104.4247 48.1644 0.0000 175.0632 84 A 4.2064 8.4816 123.9061 54.8002 18.1980 179.3447 85 A 4.1223 8.4665 119.3418 55.6277 18.4432 179.3523 86 M 3.9872 8.2573 116.5394 58.7256 32.1988 178.6450 87 F 3.9799 8.6718 120.7740 61.7279 39.2113 177.3763 88 F 4.3782 8.2270 115.5971 60.3954 38.9877 177.5979 89 I 4.2710 7.7563 121.6375 63.6358 36.9274 178.5894 90 G 3.4886 8.8631 107.7966 47.8447 0.0000 175.4048 91 F 3.8702 8.1572 123.6810 61.1660 39.0506 177.3878 92 T 3.7214 7.8887 115.2936 66.3098 68.1332 176.2128 93 A 3.9535 7.8684 122.7072 55.2467 18.2492 179.5198 94 L 3.8318 7.5303 116.6926 57.9837 41.6968 179.6140 95 L 3.8753 7.0500 118.4157 57.8259 41.5372 179.5714 96 L 4.0828 8.0829 118.9659 57.7836 41.5424 179.7293 97 I 3.7029 8.0408 120.0674 64.2135 37.1216 178.0761 98 W 4.2274 8.4903 129.3755 60.5375 30.4040 177.4229 99 E 3.8717 8.5094 119.0683 59.3549 28.9576 178.7111 100 K 4.2353 7.9039 118.3758 60.2489 32.2547 177.6198 101 H 4.0802 7.9472 118.1365 59.0735 29.8799 176.4669 102 Y 3.8894 7.8212 119.8973 59.6472 37.8819 176.7973 103 V 3.9465 7.4477 118.2008 64.5191 32.6653 175.7117 104 Y 4.4603 7.5712 116.4703 58.1284 38.4881 176.8837 105 G 3.9909 8.5133 116.7745 44.5842 0.0000 170.9878 106 P 4.6122 0.0000 0.0000 61.4489 32.8206 175.8206 107 I 4.0007 7.8403 113.0972 59.5729 38.5894 174.0243 108 P 4.3801 0.0000 0.0000 62.8332 31.8103 177.5082 109 H 4.2146 8.5694 116.2044 58.5821 28.5033 177.1948 110 T 2.6993 6.9799 107.8024 62.5564 68.1217 174.3009 111 F 4.6727 7.2893 120.0586 57.9188 40.1501 176.7094 112 E 4.1476 8.4889 122.6035 56.0890 30.7016 176.8851 113 E 3.9513 8.9747 124.8688 59.6107 29.6769 178.9014 114 E 3.8936 8.2739 118.3776 59.1161 29.8061 178.0741 115 W 3.8334 8.3627 127.8327 60.5269 30.4967 177.7162 116 V 3.6932 8.4489 118.0352 66.1396 30.9995 177.6369 117 A 4.0309 8.4689 120.7984 55.2763 18.0883 179.7041 118 K 3.7451 8.1647 116.9324 59.5408 32.1718 179.0456 119 Q 3.8120 8.1466 120.0451 59.7509 28.8601 178.9837 120 T 3.9766 8.8333 117.5202 66.5421 68.4733 176.3602 121 K 3.6172 7.9775 121.3153 59.4475 32.2659 178.3391 122 R 3.8008 8.4528 119.4303 59.9501 29.8682 178.0478 123 M 4.0046 8.4146 118.2984 58.6196 31.5077 178.8599 124 L 4.1458 8.0596 118.8043 57.7977 41.3785 179.3949 125 D 4.4666 8.0404 118.8461 56.8106 40.9076 177.5468 126 M 4.2986 7.9167 114.7343 53.9120 32.7052 176.2384 127 K 4.1092 7.4966 116.4366 56.4995 30.2762 176.1406 128 V 3.4927 7.9133 118.0708 64.0386 32.8600 174.7973 129 A 4.0240 8.7608 130.1075 52.7922 15.4002 175.3186 130 P 4.5051 0.0000 0.0000 64.8546 32.4602 179.1463 131 I 4.0806 7.8107 118.7818 63.8667 37.6021 175.9611 132 Q 4.6756 8.1771 115.6342 57.4579 35.1693 175.7229 133 G 3.9145 8.1916 104.9279 48.2982 0.0000 172.5833 134 F 4.7681 8.3162 119.1071 59.0186 41.9086 177.6503 135 S 4.2825 9.1289 116.5906 61.3870 62.9869 176.7907 136 A 4.2388 8.1620 121.9135 54.5110 18.3708 177.9651 137 K 4.3628 8.2285 114.3406 56.3267 32.5908 175.8260 138 W 4.6600 7.9730 129.9505 55.3311 32.0992 175.0607 139 D 4.4328 7.5465 125.7995 52.9702 39.7831 176.3911 140 Y 4.4059 8.3366 125.4703 60.9770 38.5150 177.7823 141 D 4.4771 8.2148 119.6989 57.4553 41.1576 178.1127 142 K 3.9492 7.9417 115.6369 56.4623 32.7102 176.6913 143 N 3.9204 7.1190 116.2256 52.7858 37.3945 171.8148 144 E 3.7853 6.0684 116.0951 54.4998 33.9769 176.8798 145 W 4.3552 8.1196 120.7567 56.4594 29.6889 176.4716 146 K 3.7565 8.6811 124.2204 56.7942 32.2229 177.2653 147 K 4.1313 8.5354 122.6816 56.7715 32.0304 176.8570 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 4 S 8.33 4.17 0.00 3.80 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 5 V 7.51 3.69 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 0.73 0.00 0.00 0.92 0.00 0.00 6 V 8.86 3.97 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 0.89 0.00 0.00 1.03 0.00 0.00 7 K 8.13 4.75 0.00 1.90 1.63 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 8 S 8.87 4.22 0.00 3.92 4.01 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 9 E 8.07 3.98 0.00 1.84 1.90 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 2.29 2.24 0.00 10 D 7.92 4.66 0.00 2.91 2.63 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 11 Y 7.12 4.14 0.00 3.12 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 12 A 7.16 4.21 1.12 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 0.00 0.00 13 L 7.11 4.35 0.00 1.62 1.59 0.87 0.93 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 14 P 0.00 4.30 0.00 2.07 2.05 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 15 S 8.35 4.86 0.00 3.99 3.87 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 16 Y 8.33 4.54 0.00 3.03 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 17 V 6.60 4.17 1.94 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 0.64 0.00 0.00 0.84 0.00 0.00 18 D 8.37 4.59 0.00 2.64 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 19 R 7.87 4.51 0.00 1.73 1.71 0.00 3.64 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 20 R 8.65 3.64 0.00 1.84 2.07 0.00 3.42 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 21 D 7.99 4.83 0.00 2.83 2.81 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 22 Y 7.64 4.76 0.00 2.79 2.83 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 23 P 0.00 4.37 0.00 2.25 2.36 0.00 3.73 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 1.94 2.02 0.00 24 L 7.25 4.65 0.00 1.54 1.70 0.94 1.15 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 25 P 0.00 4.58 0.00 2.46 1.84 0.00 3.98 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 26 D 8.84 4.50 0.00 2.92 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.16 4.55 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 0.74 0.00 0.00 1.13 0.00 0.00 28 A 8.22 4.48 1.11 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 0.00 0.00 0.00 29 H 8.49 3.68 0.00 2.36 3.24 0.00 5.90 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.50 4.16 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 0.78 0.00 0.00 0.74 0.00 0.00 31 K 8.56 4.09 0.00 1.87 1.88 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.41 7.81 32 N 7.89 4.61 0.00 2.70 2.80 0.00 0.00 6.87 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 33 L 8.11 4.46 0.00 1.61 1.56 0.89 0.95 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 34 S 8.19 4.53 0.00 4.03 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 35 A 8.38 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.05 4.11 0.00 4.06 4.14 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 37 Q 7.81 3.93 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 38 K 8.43 3.96 0.00 1.76 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.61 7.81 39 A 8.01 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 40 L 7.70 3.91 0.00 1.94 1.92 0.93 0.45 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 41 K 8.20 3.96 0.00 1.92 1.88 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.62 7.81 42 E 8.00 4.17 0.00 2.12 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 2.62 2.46 0.00 43 K 8.18 4.01 0.00 1.87 2.02 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.49 7.81 44 E 8.23 4.16 0.00 2.22 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 0.00 2.68 2.44 0.00 45 K 8.12 4.18 0.00 1.91 1.87 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.77 7.81 46 A 7.36 4.52 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.42 3.83 0.00 3.80 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 8.59 4.67 0.00 3.47 3.05 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 S 7.75 4.30 0.00 3.91 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 50 S 7.69 4.34 0.00 4.11 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 51 L 7.59 4.38 0.00 2.03 1.64 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.47 4.55 0.00 4.00 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 53 I 8.28 3.65 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 1.64 0.76 0.90 0.00 0.00 54 D 8.12 4.59 0.00 2.69 2.72 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 55 E 7.96 4.04 0.00 2.19 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 2.35 0.00 56 K 8.61 3.85 0.00 1.92 1.82 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.57 7.81 57 V 8.26 3.61 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.92 0.00 0.00 58 E 7.84 4.01 0.00 2.24 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 0.00 2.32 2.36 0.00 59 L 8.20 4.10 0.00 1.92 1.65 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.00 4.07 0.00 3.15 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.94 4.55 0.00 1.91 2.05 0.00 3.47 0.00 0.00 3.41 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.76 0.00 62 L 7.43 4.15 0.00 1.83 1.58 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.54 3.62 0.00 1.40 0.83 0.00 1.26 0.00 0.00 1.51 0.00 0.00 2.78 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.30 0.26 7.81 64 F 7.19 5.23 0.00 2.65 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 65 K 8.79 3.94 0.00 1.04 2.06 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.23 7.81 66 E 7.80 4.87 0.00 2.15 1.86 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 2.27 2.36 0.00 67 S 8.33 5.34 0.00 4.06 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 68 F 8.98 3.84 0.00 3.07 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 69 A 8.25 4.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.02 4.11 0.00 2.29 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 0.00 2.35 2.33 0.00 71 M 8.06 4.23 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 72 N 7.93 4.76 0.00 2.85 2.90 0.00 0.00 7.02 7.66 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 73 R 7.04 4.17 0.00 1.98 1.95 0.00 3.07 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.58 0.00 74 S 8.38 4.73 0.00 4.06 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 75 T 8.21 4.62 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 1.24 0.00 0.00 76 N 8.35 4.78 0.00 2.68 2.63 0.00 0.00 6.44 7.66 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 77 E 8.29 3.90 0.00 2.08 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 2.35 2.35 0.00 78 W 8.40 4.39 0.00 3.71 3.38 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 79 K 6.18 3.10 0.00 1.34 1.35 0.00 1.20 0.00 0.00 1.24 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.36 3.72 4.35 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 1.18 0.00 0.00 81 V 7.75 3.60 2.30 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 1.13 0.00 0.00 1.03 0.00 0.00 82 V 8.62 3.75 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 1.10 0.00 0.00 1.30 0.00 0.00 83 G 8.26 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.48 4.21 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 85 A 8.47 4.12 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 86 M 8.26 3.99 0.00 2.15 2.38 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 2.90 2.65 0.00 87 F 8.67 3.98 0.00 3.05 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 88 F 8.23 4.38 0.00 3.40 3.21 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 89 I 7.76 4.27 2.09 0.00 0.00 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 1.48 1.76 0.94 0.00 0.00 90 G 8.86 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.16 3.87 0.00 2.52 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 92 T 7.89 3.72 4.35 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 1.23 0.00 0.00 93 A 7.87 3.95 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 94 L 7.53 3.83 0.00 1.28 1.53 0.88 0.59 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 95 L 7.05 3.88 0.00 1.72 1.63 0.91 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.08 4.08 0.00 1.90 1.76 0.92 0.91 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 97 I 8.04 3.70 2.12 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 1.42 0.99 0.95 0.00 0.00 98 W 8.49 4.23 0.00 3.53 3.50 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 99 E 8.51 3.87 0.00 2.34 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 1.71 2.05 0.00 100 K 7.90 4.24 0.00 1.93 1.89 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.51 7.81 101 H 7.95 4.08 0.00 3.13 3.16 0.00 6.00 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.82 3.89 0.00 1.64 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.45 3.95 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 0.65 0.00 0.00 0.81 0.00 0.00 104 Y 7.57 4.46 0.00 3.12 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 0.00 105 G 8.51 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.61 0.00 2.17 2.03 0.00 3.76 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 1.94 1.93 0.00 107 I 7.84 4.00 1.80 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.63 0.56 0.00 0.00 108 P 0.00 4.38 0.00 2.11 1.86 0.00 4.00 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.10 0.00 109 H 8.57 4.21 0.00 3.27 3.49 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 6.98 2.70 3.44 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 0.00 111 F 7.29 4.67 0.00 3.12 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 0.00 112 E 8.49 4.15 0.00 2.22 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 2.46 0.00 113 E 8.97 3.95 0.00 2.09 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 2.45 2.48 0.00 114 E 8.27 3.89 0.00 2.12 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 2.37 2.36 0.00 115 W 8.36 3.83 0.00 3.61 3.27 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 0.00 116 V 8.45 3.69 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 1.08 0.00 0.00 1.16 0.00 0.00 117 A 8.47 4.03 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 0.00 118 K 8.16 3.75 0.00 1.55 1.52 0.00 1.31 0.00 0.00 1.28 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.45 7.81 119 Q 8.15 3.81 0.00 2.09 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 120 T 8.83 3.98 4.51 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 1.52 0.00 0.00 121 K 7.98 3.62 0.00 1.72 1.89 0.00 1.37 0.00 0.00 1.48 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.47 7.81 122 R 8.45 3.80 0.00 1.77 2.07 0.00 3.07 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 123 M 8.41 4.00 0.00 1.85 2.27 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.44 0.00 124 L 8.06 4.15 0.00 1.54 1.24 -0.31 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.04 4.47 0.00 2.79 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 0.00 126 M 7.92 4.30 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.79 0.00 127 K 7.50 4.11 0.00 1.96 1.97 0.00 1.60 0.00 0.00 1.42 0.00 0.00 2.54 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.58 1.27 7.81 128 V 7.91 3.49 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 0.89 0.00 0.00 0.87 0.00 0.00 129 A 8.76 4.02 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 0.00 130 P 0.00 4.51 0.00 2.28 2.29 0.00 3.83 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 131 I 7.81 4.08 1.92 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 1.45 0.46 0.95 0.00 0.00 132 Q 8.18 4.68 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 133 G 8.19 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.32 4.77 0.00 3.15 3.34 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 0.00 135 S 9.13 4.28 0.00 4.29 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 0.00 136 A 8.16 4.24 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 0.00 137 K 8.23 4.36 0.00 2.08 1.89 0.00 1.72 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.41 7.81 138 W 7.97 4.66 0.00 2.93 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 0.00 139 D 7.55 4.43 0.00 2.42 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 0.00 0.00 0.00 0.00 140 Y 8.34 4.41 0.00 3.10 3.03 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 0.00 0.00 0.00 141 D 8.21 4.48 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 0.00 142 K 7.94 3.95 0.00 1.53 1.78 0.00 1.93 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.29 7.81 143 N 7.12 3.92 0.00 2.92 2.74 0.00 0.00 6.97 7.53 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 0.00 144 E 6.07 3.79 0.00 1.70 1.67 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 1.73 1.83 0.00 145 W 8.12 4.36 0.00 3.13 3.05 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 0.00 146 K 8.68 3.76 0.00 1.73 1.76 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.47 7.81 147 K 8.54 4.13 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.38 7.81