NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3820 8.3044 120.3455 55.2162 33.3041 174.5339 2 K 4.3010 8.9908 128.9407 55.1287 32.8667 173.8502 3 K 4.9526 9.4713 128.6501 55.4921 34.3063 175.9024 4 V 4.9672 9.0402 123.9925 61.1967 34.8251 174.0666 5 I 5.3954 8.4396 124.9588 58.7784 41.8918 173.6688 6 T 4.8304 7.6960 119.2517 61.2087 70.8094 171.6667 7 Y 5.5034 7.7191 123.1155 55.2629 41.6238 175.1729 8 G 3.6906 8.1114 107.2822 47.4862 0.0000 173.2763 9 T 4.2268 8.4462 114.8208 64.0207 70.0828 175.5576 10 F 3.3466 7.3005 117.3253 58.6026 36.1209 175.0900 11 D 4.5372 7.8285 121.3089 56.3900 42.0148 176.8104 12 L 4.6379 7.4970 124.1810 51.6891 41.1431 174.1112 13 L 4.0170 8.3563 122.0755 55.9856 42.6389 176.4583 14 H 5.2027 8.3795 120.5069 52.6414 33.2566 173.9531 15 W 4.5164 9.0252 117.6569 59.5100 27.6256 178.5190 16 G 3.3526 7.4524 106.5422 47.9013 0.0000 175.3089 17 H 4.3703 7.7883 118.2271 58.6794 28.7086 177.7682 18 I 3.8432 7.7780 121.1128 64.5434 37.0010 178.7435 19 K 3.9845 8.2478 119.2207 59.0256 31.7119 179.3728 20 L 3.9162 7.7452 120.4018 58.2699 42.1371 178.9602 21 L 3.9296 8.0673 118.9618 57.5639 41.5779 179.2821 22 E 2.5400 8.0590 119.4257 59.0208 29.3722 179.2055 23 R 3.8690 7.5755 116.4013 58.9084 30.3449 178.6929 24 A 4.0621 8.2550 121.1240 55.0519 18.4477 179.5263 25 K 3.8822 7.8857 118.4500 59.4953 32.0494 178.2638 26 Q 4.2410 7.6573 114.2196 57.3495 28.5978 176.9949 27 L 4.6049 7.5594 120.2777 56.8574 42.6706 176.3478 28 G 4.0584 8.1886 107.0341 45.3565 0.0000 172.0724 29 D 4.9917 8.9504 118.0955 54.5413 43.4357 176.3813 30 Y 4.8882 7.8590 119.6868 55.9186 42.6424 172.9653 31 L 5.0786 9.2411 129.1547 53.2917 44.8156 174.8054 32 V 4.6487 8.7090 126.8378 61.0904 34.0251 174.2826 33 V 4.4853 8.6484 127.8043 60.9918 34.0988 173.8554 34 A 4.9775 8.4352 131.1029 50.5360 20.4311 175.5748 35 I 5.7070 8.3471 116.3918 58.1507 40.7006 175.5262 36 S 4.9565 8.9944 120.9170 59.6865 63.3565 174.5859 37 T 4.1353 8.7161 114.9380 61.1748 70.0267 175.5877 38 D 4.4416 8.6958 121.4760 57.3642 40.7706 178.9075 39 E 3.9975 8.0775 118.9390 59.3249 29.5107 178.9448 40 F 4.5054 8.2567 120.7559 61.4395 39.4711 176.9215 41 N 4.1315 8.3219 116.2070 56.1121 38.3144 177.1126 42 L 3.9725 8.0128 121.7372 58.3415 41.9925 179.0837 43 Q 4.1281 7.9555 116.8583 58.5721 28.7639 178.1059 44 K 4.3023 7.9272 116.8258 55.6836 32.5292 176.6244 45 Q 3.4844 7.9395 117.2085 56.8834 26.7987 174.2868 46 K 4.3847 7.8505 119.1502 54.0712 32.3726 173.8072 47 K 4.1196 8.2906 124.3734 55.2614 33.0674 176.2091 48 A 4.6067 8.3186 129.0596 51.2656 20.0408 176.5406 49 Y 3.9788 9.8509 124.3778 60.7497 39.0757 176.4198 50 H 4.7179 9.0572 116.4477 54.4915 30.0400 176.0473 51 S 4.5521 8.3394 118.0147 58.1025 65.0042 174.8322 52 Y 4.0369 8.8957 123.0360 61.0535 38.4945 178.1472 53 E 3.8150 8.2538 118.8955 59.7854 29.6621 178.8709 54 H 4.4498 7.9355 115.9783 58.4756 28.8391 178.0804 55 R 3.9340 8.2092 120.4894 58.7985 29.7782 178.9769 56 K 3.6559 7.8286 119.5444 59.2010 31.9723 178.3887 57 L 3.8451 7.3582 119.2154 58.5533 42.3519 178.8643 58 I 3.8307 7.5952 119.2499 64.2961 37.1133 178.4965 59 L 3.9158 7.8773 119.9077 57.5838 41.1892 179.0483 60 E 4.0634 8.1954 117.5067 58.2132 29.4561 178.1861 61 T 4.2602 7.3526 108.0109 61.0494 70.0765 174.9558 62 I 3.8500 7.0451 124.2478 60.8493 37.8093 177.0010 63 R 3.7618 8.4000 124.3030 59.6338 29.9739 177.7778 64 Y 4.2721 7.1527 113.6890 59.9366 38.2226 175.8043 65 V 3.9172 7.3817 120.1578 61.9772 32.2558 174.9777 66 D 4.4213 8.3379 127.1333 55.8860 41.9440 176.5449 67 E 4.6565 7.4575 116.8225 54.7548 33.4109 174.0021 68 V 4.9046 8.2906 124.6065 61.0231 34.1487 174.4673 69 I 4.8548 8.5821 120.9414 58.1695 41.1952 172.7462 70 P 5.1061 0.0000 0.0000 62.5921 32.7035 175.1253 71 E 4.6187 9.3303 124.6598 55.0734 30.3472 176.1347 72 K 4.0717 9.4950 127.6832 57.0758 33.3704 175.9542 73 N 3.4301 6.8524 113.4241 51.0220 39.6686 174.3506 74 W 4.5218 8.5209 117.8835 59.4155 28.8296 177.7038 75 E 4.3676 8.3045 116.7415 57.6496 29.5905 178.1026 76 Q 4.0968 8.1838 117.8999 57.9474 28.6889 178.1090 77 K 3.8356 7.4576 122.0963 59.7794 32.0086 178.7140 78 K 3.9270 8.0819 118.9570 59.6108 32.1121 178.4381 79 Q 4.0185 8.0816 119.3065 58.9098 28.9526 177.6373 80 D 4.4276 8.2156 120.3014 57.4921 40.9051 178.6106 81 I 3.7496 7.7671 120.0312 64.3927 37.1475 178.6293 82 I 3.7440 7.4927 120.6692 64.5808 36.9299 178.0024 83 D 4.3954 8.6091 119.1728 57.0825 40.7035 177.8649 84 H 4.6567 8.2171 113.3771 54.0538 30.2398 174.3409 85 N 4.1478 7.7843 117.0866 54.3238 36.4236 174.8948 86 I 4.0281 7.9012 117.6096 61.5679 38.4762 176.4003 87 D 4.8189 9.1225 124.0501 54.8855 43.4067 176.6591 88 V 4.8099 7.6781 117.5538 60.8490 35.2199 173.9717 89 F 5.2355 9.6191 130.2730 56.4119 41.3802 174.0020 90 V 4.8126 8.2086 126.1701 61.4198 34.3148 174.1674 91 M 4.7434 8.7368 125.5369 53.3865 37.2208 175.0033 92 G 4.3015 9.2344 108.6627 44.9452 0.0000 174.4684 93 D 4.7284 9.1067 120.6150 54.6890 39.4449 177.4569 94 D 4.4943 8.1925 119.3129 54.3592 39.7722 176.9901 95 W 4.6550 8.3013 119.2625 55.9662 30.2249 174.1111 96 E 2.5400 7.4872 120.2236 58.1922 28.7089 177.0919 97 G 4.1514 7.7672 115.4652 45.1854 0.0000 173.7870 98 K 3.9888 7.9653 120.3922 58.4535 32.4435 177.3822 99 F 5.1827 8.0578 116.6504 57.3338 39.3100 176.8884 100 D 4.6657 8.3698 122.0069 56.3191 40.7060 177.9401 101 F 4.5116 8.1933 113.1785 58.2814 38.4947 176.4884 102 L 4.1790 7.0994 121.2420 55.2043 41.3673 178.3086 103 K 4.3045 7.8096 120.3296 58.0953 32.0415 177.6932 104 D 4.6428 7.9291 117.0976 54.1627 39.9944 176.4826 105 Q 4.4704 7.6263 118.5963 56.7535 30.9878 174.4460 106 C 4.7050 7.2198 110.6422 57.3554 32.9442 172.7612 107 E 4.2805 8.9205 119.2679 56.1328 30.3751 176.3599 108 V 4.8076 8.3424 123.3099 61.1185 33.8996 174.7067 109 V 4.3679 8.9866 127.7227 61.2118 34.7291 173.4935 110 Y 5.3088 8.6679 125.0933 56.5317 39.5949 174.9058 111 L 4.8736 8.9260 125.5628 52.2345 44.1053 174.5664 112 P 5.0888 0.0000 0.0000 62.2818 31.8817 176.6462 113 R 4.1538 8.7484 121.8789 56.3249 30.8052 176.0818 114 T 4.2996 8.0936 116.7128 62.6755 69.1381 175.2400 115 E 4.0273 8.6559 126.3437 57.5328 30.1374 177.1712 116 G 4.0198 9.8389 109.1689 45.7562 0.0000 173.1434 117 I 4.2857 6.9569 117.5421 58.5311 40.7994 174.2079 118 S 4.3385 7.7209 119.8341 56.7513 66.4955 176.5030 119 T 3.9110 8.2339 119.6465 66.9173 68.2075 177.1266 120 T 3.9246 7.8025 111.4609 64.5607 68.9442 176.4935 121 K 3.9452 7.6667 121.1959 59.1745 31.9418 178.8192 122 I 3.6806 7.2633 119.0871 64.4724 37.0733 178.2863 123 K 4.1093 7.9647 119.0914 59.4778 31.5990 179.3697 124 E 4.0528 8.5476 118.5219 58.9979 29.4324 178.1432 125 E 4.4620 8.2741 116.5109 56.3627 29.6232 176.7274 126 I 4.1779 7.2581 125.9815 61.5438 38.1794 175.1035 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 4.38 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 K 8.99 4.30 0.00 1.89 1.72 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.50 7.81 3 K 9.47 4.95 0.00 1.88 1.74 0.00 1.41 0.00 0.00 1.74 0.00 0.00 2.67 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.46 7.81 4 V 9.04 4.97 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 0.98 0.00 0.00 0.94 0.00 0.00 5 I 8.44 5.40 1.85 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 0.60 2.19 1.05 0.00 0.00 6 T 7.70 4.83 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 1.17 0.00 0.00 7 Y 7.72 5.50 0.00 2.58 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 8 G 8.11 3.69 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 0.00 0.00 0.00 9 T 8.45 4.23 4.20 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 1.25 0.00 0.00 10 F 7.30 3.35 0.00 3.09 2.94 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 11 D 7.83 4.54 0.00 2.69 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 12 L 7.50 4.64 0.00 1.73 1.66 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.36 4.02 0.00 1.66 1.72 1.02 1.04 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 14 H 8.38 5.20 0.00 3.19 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 W 9.03 4.52 0.00 3.77 3.43 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 16 G 7.45 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 0.00 0.00 0.00 17 H 7.79 4.37 0.00 3.42 3.58 0.00 5.65 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 18 I 7.78 3.84 2.18 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 1.87 1.10 1.13 0.00 0.00 19 K 8.25 3.98 0.00 1.95 1.91 0.00 1.93 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.74 7.81 20 L 7.75 3.92 0.00 1.86 1.99 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.07 3.93 0.00 1.92 1.72 0.79 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.06 2.54 0.00 1.58 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 0.00 2.05 1.86 0.00 23 R 7.58 3.87 0.00 1.80 1.95 0.00 3.23 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 24 A 8.26 4.06 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 25 K 7.89 3.88 0.00 1.94 1.88 0.00 1.53 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.54 7.81 26 Q 7.66 4.24 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 27 L 7.56 4.60 0.00 1.86 1.73 0.95 0.87 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 28 G 8.19 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 0.00 0.00 0.00 29 D 8.95 4.99 0.00 2.56 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 30 Y 7.86 4.89 0.00 2.96 2.66 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 31 L 9.24 5.08 0.00 1.66 1.51 0.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.71 4.65 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 0.71 0.00 0.00 1.11 0.00 0.00 33 V 8.65 4.49 1.80 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 0.58 0.00 0.00 0.66 0.00 0.00 34 A 8.44 4.98 0.67 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 0.00 0.00 35 I 8.35 5.71 2.04 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 1.32 1.92 0.99 0.00 0.00 36 S 8.99 4.96 0.00 3.83 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 37 T 8.72 4.14 4.11 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 0.86 0.00 0.00 38 D 8.70 4.44 0.00 2.72 2.78 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 39 E 8.08 4.00 0.00 2.05 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 2.38 2.42 0.00 40 F 8.26 4.51 0.00 2.96 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 41 N 8.32 4.13 0.00 3.00 2.96 0.00 0.00 6.66 6.04 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 42 L 8.01 3.97 0.00 1.91 1.78 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.96 4.13 0.00 2.49 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.65 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 44 K 7.93 4.30 0.00 1.52 1.79 0.00 1.50 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.20 0.82 7.81 45 Q 7.94 3.48 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 46 K 7.85 4.38 0.00 1.64 1.62 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.37 7.81 47 K 8.29 4.12 0.00 1.76 1.71 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.38 7.81 48 A 8.32 4.61 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 49 Y 9.85 3.98 0.00 2.93 2.99 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 50 H 9.06 4.72 0.00 3.31 3.26 0.00 5.91 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.34 4.55 0.00 4.04 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 52 Y 8.90 4.04 0.00 3.15 3.11 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 53 E 8.25 3.81 0.00 1.94 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 2.52 2.37 0.00 54 H 7.94 4.45 0.00 3.13 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.21 3.93 0.00 1.96 1.97 0.00 3.46 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 56 K 7.83 3.66 0.00 1.16 1.61 0.00 1.28 0.00 0.00 1.43 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.27 1.25 7.81 57 L 7.36 3.85 0.00 1.82 1.88 0.94 1.10 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 58 I 7.60 3.83 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.86 0.88 0.00 0.00 59 L 7.88 3.92 0.00 1.74 1.48 0.41 0.46 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 60 E 8.20 4.06 0.00 1.99 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 0.00 2.24 2.43 0.00 61 T 7.35 4.26 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 62 I 7.05 3.85 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.14 0.89 0.00 0.00 63 R 8.40 3.76 0.00 1.13 1.68 0.00 2.93 0.00 0.00 3.05 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 64 Y 7.15 4.27 0.00 2.93 2.89 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 65 V 7.38 3.92 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 0.57 0.00 0.00 0.78 0.00 0.00 66 D 8.34 4.42 0.00 1.63 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 67 E 7.46 4.66 0.00 2.03 1.73 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 2.28 2.33 0.00 68 V 8.29 4.90 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 0.82 0.00 0.00 0.76 0.00 0.00 69 I 8.58 4.85 1.87 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 1.13 0.68 0.86 0.00 0.00 70 P 0.00 5.11 0.00 1.94 1.92 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 71 E 9.33 4.62 0.00 2.22 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 0.00 2.23 2.45 0.00 72 K 9.49 4.07 0.00 1.53 1.65 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.24 7.81 73 N 6.85 3.43 0.00 2.60 2.45 0.00 0.00 6.08 8.88 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 74 W 8.52 4.52 0.00 3.35 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 75 E 8.30 4.37 0.00 2.04 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 0.00 2.49 2.29 0.00 76 Q 8.18 4.10 0.00 2.33 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.72 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 77 K 7.46 3.84 0.00 1.97 1.69 0.00 1.29 0.00 0.00 0.84 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.65 1.16 7.81 78 K 8.08 3.93 0.00 1.95 1.89 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.55 1.52 7.81 79 Q 8.08 4.02 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.82 0.00 80 D 8.22 4.43 0.00 3.12 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 81 I 7.77 3.75 2.02 0.00 0.00 1.00 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 0.56 0.90 0.00 0.00 82 I 7.49 3.74 2.02 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 1.52 1.34 0.91 0.00 0.00 83 D 8.61 4.40 0.00 2.61 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 84 H 8.22 4.66 0.00 3.23 3.31 0.00 5.80 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.78 4.15 0.00 2.82 2.80 0.00 0.00 6.94 6.79 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 86 I 7.90 4.03 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 1.02 0.00 0.00 87 D 9.12 4.82 0.00 2.69 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 88 V 7.68 4.81 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 0.99 0.00 0.00 89 F 9.62 5.24 0.00 2.97 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 90 V 8.21 4.81 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 0.87 0.00 0.00 0.85 0.00 0.00 91 M 8.74 4.74 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 1.87 0.00 92 G 9.23 4.30 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 0.00 93 D 9.11 4.73 0.00 2.89 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 94 D 8.19 4.49 0.00 2.55 2.84 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 95 W 8.30 4.65 0.00 3.94 3.53 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 96 E 7.49 2.54 0.00 1.70 1.80 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 2.21 2.15 0.00 97 G 7.77 4.15 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 0.00 0.00 0.00 98 K 7.97 3.99 0.00 1.56 1.34 0.00 1.75 0.00 0.00 1.96 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.79 1.22 7.81 99 F 8.06 5.18 0.00 3.17 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 0.00 100 D 8.37 4.67 0.00 2.91 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 0.00 101 F 8.19 4.51 0.00 3.20 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 0.00 102 L 7.10 4.18 0.00 1.23 1.28 -0.26 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 103 K 7.81 4.30 0.00 1.82 1.89 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.36 7.81 104 D 7.93 4.64 0.00 2.83 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 0.00 105 Q 7.63 4.47 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 106 C 7.22 4.70 0.00 3.07 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 0.00 107 E 8.92 4.28 0.00 1.95 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 2.26 0.00 108 V 8.34 4.81 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 0.62 0.00 0.00 0.85 0.00 0.00 109 V 8.99 4.37 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 0.93 0.00 0.00 0.92 0.00 0.00 110 Y 8.67 5.31 0.00 3.03 2.99 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 0.00 111 L 8.93 4.87 0.00 1.64 1.61 0.92 1.07 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 0.00 112 P 0.00 5.09 0.00 2.11 2.10 0.00 3.43 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.88 0.00 113 R 8.75 4.15 0.00 1.83 1.90 0.00 3.41 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 114 T 8.09 4.30 4.08 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 1.08 0.00 0.00 115 E 8.66 4.03 0.00 2.02 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 2.33 2.28 0.00 116 G 9.84 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 0.00 117 I 6.96 4.29 1.16 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 -0.33 -0.41 0.00 0.00 118 S 7.72 4.34 0.00 3.95 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 0.00 119 T 8.23 3.91 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 1.26 0.00 0.00 120 T 7.80 3.92 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 1.21 0.00 0.00 121 K 7.67 3.95 0.00 1.87 1.94 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.17 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.47 7.81 122 I 7.26 3.68 2.02 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 0.79 0.90 0.00 0.00 123 K 7.96 4.11 0.00 1.99 1.86 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.47 7.81 124 E 8.55 4.05 0.00 2.06 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 2.34 2.51 0.00 125 E 8.27 4.46 0.00 1.95 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 2.33 2.56 0.00 126 I 7.26 4.18 1.89 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 1.14 0.71 0.87 0.00 0.00