NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2084 8.2985 121.4471 56.2235 31.9902 177.7423 3 A 3.8576 7.8905 120.5086 54.3354 18.3942 174.3929 4 V 3.6170 7.5831 116.5496 65.8187 32.0093 176.2647 5 K 3.8919 7.9451 118.9445 59.8993 32.0866 178.7021 6 T 3.8641 8.1823 116.0930 66.5056 68.4000 176.3639 7 F 4.1107 8.2906 122.4998 61.5286 39.3996 176.8176 8 N 4.3610 8.7889 116.4140 56.3212 38.3609 177.2943 9 S 4.0712 8.2924 114.6224 61.5750 62.3045 176.2043 10 E 3.9364 7.9246 119.8490 59.0094 29.5955 178.7066 11 L 3.6130 7.7655 120.7290 58.3384 42.1633 178.6126 12 Y 4.0874 8.2714 115.8952 59.8056 37.7561 177.9032 13 S 4.2886 7.8598 115.1617 60.6839 63.0174 176.0093 14 L 4.0867 7.6946 122.9065 58.1700 41.0998 178.7611 15 N 4.1831 7.9164 114.6485 55.1092 38.5115 176.0271 16 D 4.4150 7.8940 119.2790 54.1084 41.5327 175.6435 17 Y 4.8644 7.2706 116.7240 55.7184 41.3175 174.9279 18 K 4.3121 8.7069 124.1333 54.6622 32.7717 175.0668 19 P 4.6037 0.0000 0.0000 61.6072 31.9717 174.4555 20 P 4.4811 0.0000 0.0000 62.7144 31.9393 176.3232 21 I 3.9841 8.1688 121.8051 60.6752 38.1193 176.5532 22 S 4.1295 8.4052 118.2699 58.3125 64.0353 175.0688 23 K 3.7900 8.6822 128.4277 59.7533 31.9513 178.8483 24 A 3.9748 7.8872 120.3532 55.0043 18.3272 179.3927 25 K 3.7923 7.6873 118.1916 59.7853 32.2330 178.6978 26 M 4.0047 7.9852 118.5039 58.9415 32.1078 178.2601 27 T 3.8330 8.3319 116.2799 66.5694 68.6153 176.2459 28 Q 3.9498 8.1264 121.3272 59.3427 29.1188 178.4491 29 I 3.7065 7.8061 120.6490 64.7360 37.0798 178.6261 30 T 3.9392 8.1490 116.5328 66.6627 68.2601 176.9028 31 K 3.9756 8.5925 120.6035 59.4839 32.1187 179.3023 32 A 4.1002 8.2904 120.8816 54.9246 18.0882 179.5001 33 A 3.6120 8.1546 118.4439 55.3997 18.8310 179.6490 34 I 4.0265 7.9837 118.3789 64.6146 36.9877 178.8046 35 K 4.1310 8.2787 118.1241 58.9866 31.9921 177.7999 36 A 4.7975 7.7980 119.6767 52.4149 19.5583 178.9941 37 I 3.6541 7.7441 123.7136 65.7041 37.6610 177.4375 38 K 3.7706 7.9819 119.2664 58.3539 32.1922 177.3093 39 F 4.9509 8.0575 118.4456 57.0423 40.3947 177.4394 40 Y 4.1711 7.9397 120.5016 60.3228 37.4375 177.7526 41 K 3.5555 6.8766 119.6362 59.3953 32.0490 178.8412 42 H 4.1224 8.0844 116.0799 58.6526 28.6902 177.8122 43 V 3.4242 7.8582 120.0987 65.9794 31.2835 178.2724 44 V 3.3443 7.8426 117.9891 65.9138 31.2162 177.6522 45 Q 3.9978 8.1957 119.3332 59.3936 28.8081 178.5671 46 S 4.3347 8.6063 116.4862 61.6506 62.9372 176.8131 47 V 3.7963 8.3159 120.9679 66.2636 31.3383 177.9576 48 E 4.1508 8.7787 118.5999 59.2767 29.4207 179.2799 49 K 4.0257 8.5878 120.0345 59.3561 32.3089 178.5260 50 F 3.9989 8.6069 121.1042 61.5895 39.0807 177.2545 51 I 3.7191 7.9210 117.8920 64.2517 36.8974 177.9289 52 Q 4.0890 8.1842 119.8890 58.5453 29.0466 177.5700 53 K 4.4090 7.5836 116.4310 55.7157 33.3773 176.5102 54 C 4.1626 7.0563 113.9537 56.8877 30.5139 173.6057 55 K 4.1851 8.3252 119.3951 55.7122 32.5995 176.4598 56 P 4.1840 0.0000 0.0000 65.8698 30.9657 178.6791 57 E 3.9376 8.0002 114.4258 58.5128 29.6293 177.4900 58 Y 4.6848 7.6842 116.8357 57.8252 38.3171 177.4902 59 K 3.8804 7.8233 121.2085 59.4223 32.2189 179.0534 60 V 3.1287 7.5487 117.7893 65.5809 31.3609 175.7533 61 P 4.3789 0.0000 0.0000 65.8334 31.1429 178.6966 62 G 3.6638 8.4316 104.3397 47.7284 0.0000 175.4486 63 L 3.8641 8.0159 123.1979 58.1452 41.9776 178.7374 64 Y 4.5160 8.2196 117.0615 60.9198 37.6493 178.7746 65 V 3.6328 7.9951 119.4540 65.9878 31.5831 178.0548 66 I 3.4113 7.7013 119.4925 64.4173 36.8749 177.7581 67 D 4.8075 8.7067 119.1481 57.8009 40.9742 178.6271 68 S 4.1531 8.5755 115.8591 61.6126 62.7812 176.7457 69 I 3.5895 7.9590 122.5832 64.3773 36.7800 178.7496 70 V 3.6692 8.1228 119.3349 65.9540 31.3555 178.2223 71 R 3.9223 8.3550 118.1876 59.4215 29.8990 178.8671 72 Q 3.9953 8.3699 119.5109 59.2299 29.0219 178.4194 73 S 4.4643 8.5451 116.6119 61.8700 63.0253 176.8660 74 R 4.1757 8.3369 120.9672 59.5006 29.5395 178.6883 75 H 4.1195 8.0817 117.1870 59.2701 29.9835 176.7957 76 Q 3.8035 8.2005 120.4500 58.1793 29.0250 176.9116 77 F 4.7172 8.3030 116.5496 55.9118 40.7197 176.6937 78 G 4.0874 7.6678 106.4985 45.0625 0.0000 174.8001 79 Q 3.9808 8.6004 120.7348 58.9023 28.8803 178.2638 80 E 4.0992 8.1246 115.4773 58.2365 29.7425 177.5978 81 K 4.2597 7.6734 115.9527 56.3082 33.3937 176.1816 82 D 4.3220 7.7510 118.7079 55.1262 41.3231 176.6439 83 V 3.7331 7.9069 118.3289 62.4187 32.8063 178.4203 84 F 4.0831 8.7664 119.5436 60.3533 38.8208 177.4075 85 A 4.1588 8.6654 120.4276 54.9130 17.9201 177.8254 86 P 4.2832 0.0000 0.0000 65.7500 31.5752 178.5548 87 R 4.0928 7.9011 117.3554 59.5140 29.6816 178.5670 88 F 4.4347 8.8820 118.1697 60.5353 38.7308 177.7448 89 S 4.0632 8.4765 114.0257 61.1059 62.4797 176.2434 90 N 4.3877 7.8736 119.5529 56.1019 38.6568 176.1384 91 N 4.8946 7.5278 114.8042 53.1372 38.9635 176.6382 92 I 3.8743 7.5253 123.1248 64.2350 37.9400 177.9999 93 I 3.7675 7.7560 120.4010 64.4212 37.0475 178.1553 94 S 4.2052 8.1079 113.5497 61.4783 62.2486 175.9470 95 T 3.9318 8.2410 118.6384 66.9630 68.2098 176.5826 96 F 3.6187 8.7711 119.6779 60.1952 38.6629 177.4181 97 Q 4.1646 8.2444 118.7240 59.4740 29.1530 178.1165 98 N 4.5025 8.3305 117.3458 56.3054 38.3772 177.4129 99 L 3.8312 7.6388 119.4912 57.8031 41.7267 178.5475 100 Y 4.5089 7.8311 113.7580 58.8749 38.2028 175.7563 101 R 4.4225 7.8578 119.6954 56.6107 30.5562 175.9147 102 C 4.6653 7.6455 111.5082 55.3594 32.4779 171.4570 103 P 4.3332 0.0000 0.0000 62.3598 31.5611 177.8664 104 G 3.9265 8.9034 110.7129 49.1533 0.0000 174.7259 105 D 4.6195 8.0214 116.4051 55.4478 41.3377 176.8767 106 D 4.6946 8.3964 119.5848 54.6197 41.5726 178.4474 107 K 4.0641 7.8227 120.1381 59.5446 32.0903 179.1171 108 S 4.2079 8.1402 113.8767 61.4849 62.7790 176.6327 109 K 4.0629 7.9140 121.7746 59.1991 31.7084 179.4452 110 I 3.5922 7.6052 119.7769 64.3060 37.0804 178.4072 111 V 3.6348 7.7410 118.7319 65.7953 31.3122 177.8755 112 R 3.8391 7.9751 118.5198 59.5268 29.8996 178.4593 113 V 3.3536 7.4500 117.2952 66.0595 31.3250 177.9728 114 L 3.8626 7.7988 118.4777 57.8412 41.4513 179.2786 115 N 4.3770 8.5126 116.8445 56.2975 38.4597 177.5355 116 L 4.1083 8.1022 120.4761 57.4615 41.6571 179.3821 117 W 4.5765 8.6492 119.4996 59.9155 28.9960 178.3338 118 Q 4.0561 8.6428 119.6517 59.2057 28.3595 178.1319 119 K 4.0138 8.1087 119.3256 59.0893 32.2430 177.4297 120 N 4.7608 8.1412 113.7547 51.7035 39.2113 174.5072 121 N 4.2267 8.0678 116.8368 54.2631 36.9962 175.9565 122 V 3.4853 8.1665 118.7923 64.9412 32.0351 175.7960 123 F 4.8890 7.6178 115.5183 54.8928 42.4845 174.9103 124 K 4.2507 8.4625 121.9327 56.2467 32.7633 178.2390 125 S 4.1427 8.7784 115.5824 61.5833 61.9955 176.2942 126 E 4.1075 8.1906 118.5711 58.4003 29.1595 178.4099 127 I 4.0806 7.7948 121.1965 63.7342 37.7781 177.8804 128 I 3.7290 7.6719 120.0405 64.3518 37.0008 178.0078 129 Q 3.9488 8.4358 120.6692 58.9603 28.9147 176.6360 130 P 4.3212 0.0000 0.0000 65.6161 31.1116 178.6109 131 L 3.9795 7.5596 116.7190 57.6545 41.5568 179.5055 132 L 4.0523 8.1957 119.2211 57.9311 41.5946 179.1841 133 D 4.3761 8.7178 119.1260 57.7284 40.5047 178.8165 134 M 3.9720 8.0418 118.0193 58.2201 32.1171 178.3827 135 A 3.4390 7.6134 120.5423 54.9136 18.7410 179.5670 136 A 4.0581 7.8653 118.8713 55.2305 18.2207 179.6700 137 A 4.0787 7.8150 118.0737 54.6925 18.4339 179.5334 138 L 4.0133 7.3422 117.2338 57.5729 41.7961 176.9567 139 E 4.0895 7.4896 120.6872 56.9515 29.5461 176.8586 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 E 8.30 4.21 0.00 2.04 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 2.28 2.39 0.00 3 A 7.89 3.86 1.47 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 0.00 0.00 4 V 7.58 3.62 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 0.99 0.00 0.00 0.56 0.00 0.00 5 K 7.95 3.89 0.00 1.82 1.92 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.52 7.81 6 T 8.18 3.86 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 1.26 0.00 0.00 7 F 8.29 4.11 0.00 3.28 3.32 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 8 N 8.79 4.36 0.00 2.95 2.88 0.00 0.00 6.73 7.59 0.00 0.00 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 S 8.29 4.07 0.00 3.95 4.03 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 10 E 7.92 3.94 0.00 1.85 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 2.33 2.40 0.00 11 L 7.77 3.61 0.00 0.74 1.40 0.22 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.27 4.09 0.00 3.11 3.04 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 13 S 7.86 4.29 0.00 4.17 4.33 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 14 L 7.69 4.09 0.00 1.57 1.72 0.53 0.37 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 15 N 7.92 4.18 0.00 2.82 2.83 0.00 0.00 7.03 7.87 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 16 D 7.89 4.42 0.00 2.09 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 0.00 0.00 0.00 17 Y 7.27 4.86 0.00 3.07 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 18 K 8.71 4.31 0.00 1.75 1.78 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.51 7.81 19 P 0.00 4.60 0.00 2.01 1.98 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.12 0.00 20 P 0.00 4.48 0.00 2.21 2.11 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 21 I 8.17 3.98 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.92 0.86 0.00 0.00 22 S 8.41 4.13 0.00 3.78 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 23 K 8.68 3.79 0.00 1.85 1.76 0.00 1.60 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.54 7.81 24 A 7.89 3.97 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 25 K 7.69 3.79 0.00 1.60 1.81 0.00 1.47 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.22 1.38 7.81 26 M 7.99 4.00 0.00 2.24 2.03 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 2.60 2.62 0.00 27 T 8.33 3.83 4.38 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 1.20 0.00 0.00 28 Q 8.13 3.95 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 29 I 7.81 3.71 1.99 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.71 0.90 0.00 0.00 30 T 8.15 3.94 4.41 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 1.24 0.00 0.00 31 K 8.59 3.98 0.00 1.99 1.91 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.61 7.81 32 A 8.29 4.10 1.66 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 33 A 8.15 3.61 1.10 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 0.00 0.00 34 I 7.98 4.03 1.97 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 1.72 1.23 1.23 0.00 0.00 35 K 8.28 4.13 0.00 2.05 1.99 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.65 7.81 36 A 7.80 4.80 1.55 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 0.00 0.00 37 I 7.74 3.65 2.07 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.93 0.82 0.00 0.00 38 K 7.98 3.77 0.00 1.48 1.12 0.00 1.54 0.00 0.00 1.11 0.00 0.00 2.57 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.63 1.21 7.81 39 F 8.06 4.95 0.00 3.19 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 40 Y 7.94 4.17 0.00 2.24 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 41 K 6.88 3.56 0.00 1.47 1.59 0.00 1.38 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.79 0.21 7.81 42 H 8.08 4.12 0.00 3.44 3.38 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.86 3.42 2.35 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 0.50 0.00 0.00 0.76 0.00 0.00 44 V 7.84 3.34 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.20 0.00 0.00 45 Q 8.20 4.00 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 46 S 8.61 4.33 0.00 4.51 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 47 V 8.32 3.80 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 1.27 0.00 0.00 1.40 0.00 0.00 48 E 8.78 4.15 0.00 2.32 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 2.56 2.74 0.00 49 K 8.59 4.03 0.00 2.10 2.18 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.64 7.81 50 F 8.61 4.00 0.00 2.92 3.13 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 0.00 51 I 7.92 3.72 2.08 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 1.47 0.95 0.85 0.00 0.00 52 Q 8.18 4.09 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 53 K 7.58 4.41 0.00 1.86 1.81 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.60 7.81 54 C 7.06 4.16 0.00 2.57 1.69 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 55 K 8.33 4.19 0.00 2.03 1.78 0.00 1.87 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.54 7.81 56 P 0.00 4.18 0.00 2.09 2.19 0.00 3.56 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 2.08 2.13 0.00 57 E 8.00 3.94 0.00 1.81 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 1.72 1.47 0.00 58 Y 7.68 4.68 0.00 3.05 3.13 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 0.00 59 K 7.82 3.88 0.00 1.67 1.70 0.00 1.72 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.51 7.81 60 V 7.55 3.13 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.70 0.00 0.00 61 P 0.00 4.38 0.00 2.56 2.26 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 62 G 8.43 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 63 L 8.02 3.86 0.00 1.39 1.50 0.74 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.22 4.52 0.00 3.14 2.87 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 65 V 8.00 3.63 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.87 0.00 0.00 66 I 7.70 3.41 2.07 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.63 0.42 0.00 0.00 67 D 8.71 4.81 0.00 3.07 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 68 S 8.58 4.15 0.00 4.09 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 69 I 7.96 3.59 2.07 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 1.29 0.83 0.20 0.00 0.00 70 V 8.12 3.67 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 0.87 0.00 0.00 1.04 0.00 0.00 71 R 8.35 3.92 0.00 1.99 1.99 0.00 3.35 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 72 Q 8.37 4.00 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 73 S 8.55 4.46 0.00 4.20 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.34 4.18 0.00 1.92 1.98 0.00 2.94 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 75 H 8.08 4.12 0.00 3.12 3.55 0.00 5.94 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.20 3.80 0.00 1.91 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.53 0.00 0.00 0.00 0.00 0.00 1.16 1.95 0.00 77 F 8.30 4.72 0.00 3.11 3.02 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 78 G 7.67 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.60 3.98 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.06 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 80 E 8.12 4.10 0.00 1.94 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 2.29 2.25 0.00 81 K 7.67 4.26 0.00 1.96 1.81 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.35 7.81 82 D 7.75 4.32 0.00 2.70 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 83 V 7.91 3.73 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 0.00 0.00 0.45 0.00 0.00 -0.25 0.00 0.00 84 F 8.77 4.08 0.00 3.34 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.67 4.16 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.28 0.00 1.99 2.12 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 87 R 7.90 4.09 0.00 2.11 2.01 0.00 3.15 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 88 F 8.88 4.43 0.00 3.55 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.48 4.06 0.00 4.21 4.61 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 90 N 7.87 4.39 0.00 2.73 2.97 0.00 0.00 6.92 9.28 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 91 N 7.53 4.89 0.00 2.86 2.90 0.00 0.00 6.73 7.27 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 92 I 7.53 3.87 2.10 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.82 0.84 0.00 0.00 93 I 7.76 3.77 1.92 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 1.54 0.93 0.97 0.00 0.00 94 S 8.11 4.21 0.00 3.95 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 95 T 8.24 3.93 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 96 F 8.77 3.62 0.00 3.27 3.17 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 0.00 0.00 0.00 97 Q 8.24 4.16 0.00 2.26 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 98 N 8.33 4.50 0.00 2.97 2.82 0.00 0.00 7.03 6.09 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 99 L 7.64 3.83 0.00 1.06 1.17 -0.33 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.83 4.51 0.00 3.00 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 0.00 101 R 7.86 4.42 0.00 2.01 1.94 0.00 3.15 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 102 C 7.65 4.67 0.00 2.99 2.98 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 0.00 103 P 0.00 4.33 0.00 2.16 1.98 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 104 G 8.90 3.93 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 0.00 0.00 0.00 105 D 8.02 4.62 0.00 2.64 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.40 4.69 0.00 2.82 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 0.00 107 K 7.82 4.06 0.00 1.99 1.93 0.00 1.70 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 1.68 1.55 7.81 108 S 8.14 4.21 0.00 4.05 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 0.00 109 K 7.91 4.06 0.00 1.95 1.90 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.48 7.81 110 I 7.61 3.59 2.05 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.47 0.69 0.00 0.00 111 V 7.74 3.63 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 1.10 0.00 0.00 1.07 0.00 0.00 112 R 7.98 3.84 0.00 2.04 2.13 0.00 3.18 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 113 V 7.45 3.35 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 -0.06 0.00 0.00 1.01 0.00 0.00 114 L 7.80 3.86 0.00 1.87 1.70 0.95 0.30 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 0.00 115 N 8.51 4.38 0.00 2.87 2.89 0.00 0.00 7.05 6.37 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 0.00 116 L 8.10 4.11 0.00 1.84 1.79 0.91 0.80 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 0.00 117 W 8.65 4.58 0.00 3.63 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 0.00 118 Q 8.64 4.06 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 119 K 8.11 4.01 0.00 1.85 2.03 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.66 7.81 120 N 8.14 4.76 0.00 2.95 2.86 0.00 0.00 7.22 7.54 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 0.00 121 N 8.07 4.23 0.00 2.82 2.85 0.00 0.00 6.84 7.84 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 0.00 122 V 8.17 3.49 1.83 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 -0.23 0.00 0.00 0.90 0.00 0.00 123 F 7.62 4.89 0.00 3.03 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 0.00 124 K 8.46 4.25 0.00 1.88 1.77 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.48 7.81 125 S 8.78 4.14 0.00 3.92 3.89 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 0.00 0.00 0.00 126 E 8.19 4.11 0.00 2.18 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 0.00 2.31 2.43 0.00 127 I 7.79 4.08 2.06 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 1.58 1.51 0.65 0.00 0.00 128 I 7.67 3.73 1.96 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 1.72 1.15 0.98 0.00 0.00 129 Q 8.44 3.95 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 130 P 0.00 4.32 0.00 2.17 2.09 0.00 3.74 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 2.23 2.18 0.00 131 L 7.56 3.98 0.00 1.65 1.22 0.23 0.25 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 0.00 132 L 8.20 4.05 0.00 1.86 1.73 0.95 1.43 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 0.00 133 D 8.72 4.38 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 M 8.04 3.97 0.00 1.99 2.46 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.60 0.00 135 A 7.61 3.44 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 0.00 136 A 7.87 4.06 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 0.00 137 A 7.81 4.08 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 0.00 138 L 7.34 4.01 0.00 1.56 1.64 0.59 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 139 E 7.49 4.09 0.00 2.10 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 2.33 2.24 0.00