NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3386 8.3001 120.3286 55.3346 33.3402 174.6864 2 A 4.5948 8.3217 127.1021 50.0360 21.8169 173.8740 3 K 4.3488 8.2659 112.4810 55.9598 35.4687 174.3841 4 V 4.5565 7.2754 116.6998 61.1277 33.6699 174.7534 5 Q 4.5587 8.7534 127.3745 55.0909 30.6173 175.1721 6 V 4.7904 8.4585 122.7418 61.9691 32.2743 175.1334 7 N 4.8446 8.8125 124.8525 54.4129 39.9065 174.9257 8 N 4.5688 7.6347 113.8964 52.7190 42.2965 173.1640 9 V 5.0083 8.7086 124.6596 61.1227 34.6434 174.6149 10 V 4.5164 8.2790 125.6978 61.0641 34.8419 174.2097 11 V 4.2651 8.4280 127.7359 61.4832 32.4541 175.5000 12 L 4.9603 7.9476 129.4466 55.1785 40.0973 177.0150 13 D 4.6373 8.2909 117.2715 53.8441 43.0276 174.3920 14 N 5.0647 7.6721 116.0125 49.5804 39.9232 172.2928 15 P 4.7291 0.0000 0.0000 63.2782 32.1433 175.5333 16 S 4.7346 8.9624 115.3810 55.9203 66.6187 171.6730 17 P 4.6802 0.0000 0.0000 62.6710 31.8760 177.4345 18 F 4.2295 8.7944 123.9759 61.4187 39.4524 176.2817 19 Y 3.8197 7.9910 116.5352 59.5086 38.1744 175.6690 20 N 4.4103 7.4127 117.3240 52.2768 39.0918 173.2153 21 P 4.5511 0.0000 0.0000 62.6588 32.4115 175.9985 22 F 4.3311 9.1838 120.7225 57.5053 40.9610 175.1838 23 Q 4.7577 7.8411 118.3412 55.0229 33.0355 173.7644 24 F 5.0295 9.4374 123.0156 55.7559 42.5401 174.2948 25 E 4.9471 8.9462 125.3714 53.6428 29.0275 174.6475 26 I 3.9315 7.2347 124.7735 61.4330 39.1934 175.0432 27 T 4.9486 8.8670 121.5122 61.8785 70.0500 172.9793 28 F 5.4472 8.8787 121.1140 55.2759 41.3734 174.7376 29 E 5.3523 9.3735 120.0936 54.6887 33.2770 174.1046 30 C 5.1454 8.7667 124.1302 57.7226 34.6416 174.0094 31 I 4.4352 8.1709 126.4535 60.9729 36.8207 175.0373 32 E 4.7280 7.5359 118.5226 54.9839 32.1724 174.8798 33 D 4.5571 8.9543 126.5474 54.7320 41.8285 175.5961 34 L 4.7081 7.8999 122.2134 52.8487 43.1834 176.8209 35 S 4.2582 9.1438 119.3850 61.0182 63.4405 173.8950 36 E 4.7985 8.0171 120.5908 54.7192 31.4264 174.4785 37 D 5.1028 8.3682 117.8546 52.3731 42.5885 175.2589 38 L 4.5321 8.3223 119.0490 54.7278 43.2380 175.5130 39 E 5.0076 9.0487 124.8831 54.4416 31.5627 174.6188 40 W 5.2232 9.2629 127.9104 55.6846 31.4370 175.7836 41 K 5.3406 9.4926 121.9191 54.8697 36.5996 175.5521 42 I 4.5787 8.3351 123.8157 59.8303 39.7985 174.6314 43 I 4.7122 8.6869 129.6369 59.6386 39.3138 174.4122 44 Y 4.4349 9.1030 129.8712 56.6875 40.3420 174.7755 45 V 3.8691 7.5517 127.7851 61.2523 30.4013 175.6390 46 G 3.7908 9.0633 112.9676 47.5786 0.0000 170.3826 47 S 4.9424 8.1343 108.7688 54.6204 64.4445 175.0435 48 A 4.3213 8.4804 127.2562 53.1899 17.9806 177.7936 49 E 4.1254 8.0727 119.3139 59.3893 29.9817 176.8874 50 S 4.6732 7.6477 110.3614 57.4580 65.0468 173.2569 51 E 4.9234 8.5840 120.7268 56.3497 29.8688 176.3958 52 E 4.4601 7.8266 118.1308 57.1463 30.0276 175.2078 53 Y 4.9950 7.3482 113.8737 58.1428 40.1726 175.8486 54 D 5.1274 8.2267 119.3746 53.1982 41.5648 175.2863 55 Q 4.6873 9.3683 117.6469 54.4627 32.1234 174.8568 56 V 4.1818 8.5871 115.6133 61.8306 31.8867 175.7494 57 L 4.6939 8.5532 122.4267 55.9238 44.6174 175.5510 58 D 4.7765 7.7950 116.0590 53.9291 45.3412 173.9542 59 S 5.0491 8.5347 113.7273 57.5341 65.1714 173.6053 60 V 4.3959 8.9757 127.2263 60.3559 34.4642 175.7961 61 L 4.9283 7.9563 128.0229 52.7391 40.6341 177.2399 62 V 3.3387 7.4287 119.8318 64.2703 32.6901 175.7950 63 G 4.0734 7.9913 113.7904 45.7037 0.0000 169.1245 64 P 4.6477 0.0000 0.0000 62.4728 31.9004 176.7762 65 V 4.3694 8.3490 124.2594 59.5369 33.2047 174.0563 66 P 4.9142 0.0000 0.0000 62.2225 33.3796 175.5068 67 A 4.4679 8.7744 123.8143 51.6541 19.9533 176.1164 68 G 3.7942 8.2359 104.9459 44.0552 0.0000 173.1375 69 R 4.3662 8.0731 118.7592 56.8237 31.1922 176.2885 70 H 4.4301 9.4520 122.0466 54.6411 31.9886 171.3142 71 M 4.8896 8.3845 123.5898 54.0864 33.4227 174.7289 72 F 5.1334 8.5342 120.5505 55.1603 42.2932 173.1918 73 V 4.5207 8.5695 117.3608 61.4221 34.0040 174.4937 74 F 5.2273 9.6212 131.2626 56.9427 41.0040 174.3602 75 Q 5.3876 9.3626 124.5767 54.5978 31.4984 175.1353 76 A 4.7076 8.4677 123.2443 50.6131 22.8263 175.6583 77 D 4.7375 8.9787 122.9072 54.0665 41.5565 176.6974 78 A 4.1385 8.4650 125.2531 51.2093 19.0551 175.6684 79 P 4.2323 0.0000 0.0000 62.3087 32.1793 176.2753 80 N 4.3700 8.4914 118.0393 52.4179 38.2693 174.4524 81 P 3.9451 0.0000 0.0000 64.8643 31.4200 177.9876 82 G 3.6805 8.0550 107.9039 47.5342 0.0000 173.8694 83 L 4.7631 7.6869 119.2912 54.0872 39.7114 177.2941 84 I 4.4816 7.2343 117.7979 59.4792 40.6497 173.9754 85 P 4.0026 0.0000 0.0000 62.8913 31.6315 177.0859 86 D 4.3444 8.9577 122.3018 57.7370 40.5234 178.0462 87 A 4.1027 7.2260 121.5509 54.8328 18.6721 179.7971 88 D 4.5260 7.8579 110.3952 54.1931 40.1550 178.0463 89 A 4.4637 8.1316 121.4645 53.2564 19.8820 178.8472 90 V 3.5332 7.1126 110.3238 62.0465 33.8114 175.9102 91 G 4.1332 8.7611 108.0289 44.2715 0.0000 175.5703 92 V 5.0553 8.3153 123.8959 59.8664 34.2090 174.9077 93 T 4.5341 8.7216 113.7887 60.8466 72.0873 172.4080 94 V 4.8086 8.2543 119.1096 61.5622 35.4788 175.7834 95 V 4.6813 8.7341 125.1630 61.0609 34.7196 173.9653 96 L 5.0114 9.0902 128.1159 53.1554 44.0449 175.3360 97 I 4.8182 9.1204 125.2683 60.0325 39.8913 175.1510 98 T 5.2392 8.7534 122.3964 61.8324 72.7891 172.2112 99 C 4.0282 7.9416 127.4043 57.7575 33.2225 172.0539 100 T 4.9272 8.4333 123.3980 61.8862 70.7953 172.7590 101 Y 4.9495 9.6141 127.7789 56.3313 42.5764 175.2294 102 R 3.2595 8.2578 121.6919 56.9536 27.8787 177.2871 103 G 3.7750 8.1563 102.3515 45.8774 0.0000 173.8372 104 Q 4.3817 8.5098 120.9423 53.4434 29.9931 174.6695 105 E 4.1744 8.6960 124.9801 56.3048 28.6462 175.8616 106 F 5.0431 8.3879 121.0526 56.4883 39.8974 174.8231 107 I 4.4242 6.8278 117.9017 60.5356 41.5374 172.9126 108 R 4.5265 8.5034 129.3551 54.4248 31.7313 174.3785 109 V 3.8505 8.6785 125.3510 61.6528 33.0939 174.9088 110 G 4.2793 8.1907 116.0479 44.6555 0.0000 170.9878 111 Y 4.8361 8.8932 124.4356 56.6677 40.5780 174.6931 112 Y 4.9926 8.3923 119.4452 57.5204 40.0004 174.8999 113 V 4.9730 9.6349 117.3010 59.5667 36.0392 174.2913 114 N 5.2908 9.4346 123.5556 52.0571 41.2683 172.7399 115 N 5.4707 9.3725 125.9766 52.0991 40.1915 174.4287 116 E 4.7477 8.9773 121.6097 54.8612 33.3617 174.8677 117 Y 4.7392 8.2687 119.6166 58.4871 38.9230 175.2336 118 T 4.3207 8.4506 110.6992 63.3753 70.3317 174.7691 119 E 4.0224 8.0611 124.2803 55.1310 30.3024 177.3734 120 T 4.3083 8.4103 119.6265 62.1206 67.3237 172.2610 121 E 4.4984 7.6241 120.4469 57.5890 32.3619 177.6564 122 L 3.6564 8.4141 127.5511 57.8517 42.6291 179.4945 123 R 4.0790 7.9025 118.1009 59.5893 30.3466 177.3522 124 E 4.1401 8.4704 116.8840 58.8923 29.6525 177.6024 125 N 4.8458 7.5456 115.8574 49.8602 38.4478 170.3605 126 P 4.9994 0.0000 0.0000 61.0708 32.0442 174.9383 127 P 4.2916 0.0000 0.0000 62.4901 31.6044 176.1076 128 V 3.5847 8.3344 120.0851 66.2918 31.4948 176.0527 129 K 4.3200 7.6988 117.9100 54.7005 32.8950 175.3139 130 P 4.1873 0.0000 0.0000 62.4652 31.7271 175.1318 131 D 4.8824 8.4845 122.9383 52.6494 42.4161 175.8636 132 F 4.4612 9.0471 126.0305 59.4437 39.7721 178.2850 133 S 4.5363 8.5188 114.8684 60.6075 62.7616 175.0167 134 K 4.7192 8.0805 119.6160 55.9845 32.9291 175.3090 135 L 4.7162 8.0763 120.2414 53.2670 45.1877 174.4779 136 Q 5.0333 9.0230 128.0990 54.4540 31.2401 174.0171 137 R 4.7907 8.9620 127.9602 55.6485 31.8351 174.3033 138 N 5.2933 9.2517 125.6436 51.6574 41.4389 173.4189 139 I 4.4410 9.8162 129.3093 61.2539 37.8198 176.2890 140 L 4.3214 8.7056 126.7332 53.7359 42.3736 177.6219 141 A 4.5986 8.1297 126.6028 51.4801 18.6769 176.0579 142 S 4.5434 7.4532 122.1124 57.5404 64.2941 173.7019 143 N 4.9656 8.8839 118.9613 51.5293 40.7151 172.1402 144 P 4.7689 0.0000 0.0000 60.8650 33.6900 175.5975 145 R 4.0510 8.1065 122.3028 56.3203 30.1552 174.8469 146 V 4.1092 8.1094 126.7540 62.4123 32.5683 175.6107 147 T 4.2557 8.4816 118.6757 59.7105 69.7544 172.4550 148 R 4.6269 8.2923 127.0056 55.7869 29.3170 174.7970 149 F 4.0231 8.3242 122.3246 57.4032 39.6257 174.9011 150 H 4.7579 8.6199 121.0859 55.8352 29.0257 174.9518 151 I 4.5863 7.6581 119.1270 60.3729 40.7346 174.0487 152 N 4.4612 8.6361 124.7448 54.1393 38.6822 173.6411 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 4.34 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 2 A 8.32 4.59 1.23 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 0.00 0.00 3 K 8.27 4.35 0.00 1.42 1.61 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.14 7.81 4 V 7.28 4.56 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 0.64 0.00 0.00 0.59 0.00 0.00 5 Q 8.75 4.56 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 6 V 8.46 4.79 2.25 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 1.01 0.00 0.00 1.28 0.00 0.00 7 N 8.81 4.84 0.00 3.08 2.91 0.00 0.00 6.85 7.38 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 8 N 7.63 4.57 0.00 2.83 2.62 0.00 0.00 6.62 7.71 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 9 V 8.71 5.01 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 1.12 0.00 0.00 1.05 0.00 0.00 10 V 8.28 4.52 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 0.96 0.00 0.00 0.95 0.00 0.00 11 V 8.43 4.27 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 0.70 0.00 0.00 0.75 0.00 0.00 12 L 7.95 4.96 0.00 1.54 1.62 0.89 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.29 4.64 0.00 2.56 2.59 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 0.00 0.00 0.00 0.00 14 N 7.67 5.06 0.00 2.74 2.70 0.00 0.00 6.06 7.75 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 15 P 0.00 4.73 0.00 2.09 2.09 0.00 3.69 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 1.97 1.96 0.00 16 S 8.96 4.73 0.00 3.73 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 17 P 0.00 4.68 0.00 2.15 2.12 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 2.12 2.12 0.00 18 F 8.79 4.23 0.00 3.04 3.28 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 19 Y 7.99 3.82 0.00 2.92 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 20 N 7.41 4.41 0.00 2.72 2.61 0.00 0.00 7.00 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 21 P 0.00 4.55 0.00 1.90 2.02 0.00 3.60 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 2.01 2.09 0.00 22 F 9.18 4.33 0.00 2.93 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 23 Q 7.84 4.76 0.00 1.79 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 24 F 9.44 5.03 0.00 2.88 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 25 E 8.95 4.95 0.00 1.98 1.79 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 2.20 2.04 0.00 26 I 7.23 3.93 0.87 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.64 1.03 0.00 0.00 27 T 8.87 4.95 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 1.20 0.00 0.00 28 F 8.88 5.45 0.00 3.56 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 29 E 9.37 5.35 0.00 2.31 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 2.28 2.41 0.00 30 C 8.77 5.15 0.00 3.16 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 31 I 8.17 4.44 1.87 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 1.20 0.59 0.92 0.00 0.00 32 E 7.54 4.73 0.00 1.89 1.71 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 2.13 2.28 0.00 33 D 8.95 4.56 0.00 2.60 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 34 L 7.90 4.71 0.00 1.51 1.40 0.62 0.31 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 35 S 9.14 4.26 0.00 4.01 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 36 E 8.02 4.80 0.00 2.04 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 2.17 2.25 0.00 37 D 8.37 5.10 0.00 2.86 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.53 0.00 1.75 1.45 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 39 E 9.05 5.01 0.00 2.02 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 2.23 2.29 0.00 40 W 9.26 5.22 0.00 3.15 3.41 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 41 K 9.49 5.34 0.00 1.68 1.69 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.47 7.81 42 I 8.34 4.58 1.54 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 -0.02 0.57 0.00 0.00 43 I 8.69 4.71 1.82 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 1.10 0.93 0.91 0.00 0.00 44 Y 9.10 4.43 0.00 2.95 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 45 V 7.55 3.87 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 0.76 0.00 0.00 0.85 0.00 0.00 46 G 9.06 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 0.00 0.00 0.00 47 S 8.13 4.94 0.00 3.70 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 48 A 8.48 4.32 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 49 E 8.07 4.13 0.00 1.97 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 2.41 2.35 0.00 50 S 7.65 4.67 0.00 3.91 3.76 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 51 E 8.58 4.92 0.00 2.17 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 2.24 2.23 0.00 52 E 7.83 4.46 0.00 1.74 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.10 0.00 53 Y 7.35 4.99 0.00 3.10 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 54 D 8.23 5.13 0.00 2.96 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 55 Q 9.37 4.69 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 56 V 8.59 4.18 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 0.71 0.00 0.00 0.95 0.00 0.00 57 L 8.55 4.69 0.00 1.48 1.87 0.93 1.02 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 58 D 7.79 4.78 0.00 2.88 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 59 S 8.53 5.05 0.00 3.98 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 60 V 8.98 4.40 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 0.72 0.00 0.00 0.87 0.00 0.00 61 L 7.96 4.93 0.00 1.54 1.64 0.94 1.00 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 62 V 7.43 3.34 2.18 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 0.82 0.00 0.00 0.29 0.00 0.00 63 G 7.99 4.07 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 0.00 0.00 0.00 64 P 0.00 4.65 0.00 1.97 2.03 0.00 3.66 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 2.04 2.11 0.00 65 V 8.35 4.37 2.16 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 0.90 0.00 0.00 0.90 0.00 0.00 66 P 0.00 4.91 0.00 2.14 2.18 0.00 3.88 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 67 A 8.77 4.47 1.39 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 0.00 0.00 68 G 8.24 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 0.00 0.00 0.00 69 R 8.07 4.37 0.00 1.82 1.79 0.00 3.18 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 70 H 9.45 4.43 0.00 1.99 2.33 0.00 5.85 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 M 8.38 4.89 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 72 F 8.53 5.13 0.00 3.03 2.97 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 73 V 8.57 4.52 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 0.84 0.00 0.00 0.92 0.00 0.00 74 F 9.62 5.23 0.00 3.00 2.92 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 Q 9.36 5.39 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.43 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 76 A 8.47 4.71 1.14 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 0.00 0.00 77 D 8.98 4.74 0.00 2.60 2.61 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 78 A 8.47 4.14 0.84 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 79 P 0.00 4.23 0.00 1.92 1.72 0.00 3.24 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.64 0.00 80 N 8.49 4.37 0.00 2.82 2.78 0.00 0.00 6.70 8.03 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 81 P 0.00 3.95 0.00 1.09 1.11 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 82 G 8.05 3.68 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 0.00 0.00 0.00 83 L 7.69 4.76 0.00 1.87 1.76 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.23 4.48 1.93 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 1.57 0.81 1.03 0.00 0.00 85 P 0.00 4.00 0.00 1.91 1.61 0.00 3.48 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 0.00 86 D 8.96 4.34 0.00 2.64 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 87 A 7.23 4.10 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 88 D 7.86 4.53 0.00 2.63 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 89 A 8.13 4.46 1.23 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 0.00 0.00 90 V 7.11 3.53 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 0.30 0.00 0.00 0.86 0.00 0.00 91 G 8.76 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 0.00 0.00 0.00 0.00 92 V 8.32 5.06 2.16 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 0.82 0.00 0.00 0.98 0.00 0.00 93 T 8.72 4.53 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 1.21 0.00 0.00 94 V 8.25 4.81 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 0.83 0.00 0.00 0.90 0.00 0.00 95 V 8.73 4.68 2.18 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 0.64 0.00 0.00 0.93 0.00 0.00 96 L 9.09 5.01 0.00 1.61 1.45 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 97 I 9.12 4.82 1.78 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.33 1.12 0.00 0.00 98 T 8.75 5.24 4.16 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 1.13 0.00 0.00 99 C 7.94 4.03 0.00 1.23 1.18 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 0.00 100 T 8.43 4.93 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 1.16 0.00 0.00 101 Y 9.61 4.95 0.00 2.96 2.70 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 0.00 0.00 0.00 0.00 102 R 8.26 3.26 0.00 1.46 1.66 0.00 3.20 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.74 0.00 103 G 8.16 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 0.00 104 Q 8.51 4.38 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 105 E 8.70 4.17 0.00 1.74 1.62 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 2.01 2.07 0.00 106 F 8.39 5.04 0.00 3.12 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 0.00 107 I 6.83 4.42 1.72 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 1.25 1.02 0.16 0.00 0.00 108 R 8.50 4.53 0.00 1.81 1.82 0.00 3.18 0.00 0.00 3.32 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 109 V 8.68 3.85 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 0.46 0.00 0.00 0.86 0.00 0.00 110 G 8.19 4.28 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 0.00 111 Y 8.89 4.84 0.00 2.96 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 0.00 112 Y 8.39 4.99 0.00 3.11 2.92 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 0.00 113 V 9.63 4.97 2.28 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 0.89 0.00 0.00 1.08 0.00 0.00 114 N 9.43 5.29 0.00 2.79 2.78 0.00 0.00 7.00 6.69 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 0.00 115 N 9.37 5.47 0.00 2.65 2.58 0.00 0.00 6.21 7.64 0.00 0.00 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 E 8.98 4.75 0.00 1.94 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 2.32 2.27 0.00 117 Y 8.27 4.74 0.00 2.96 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 0.00 118 T 8.45 4.32 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 0.00 119 E 8.06 4.02 0.00 1.96 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 2.29 2.24 0.00 120 T 8.41 4.31 4.24 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 1.22 0.00 0.00 121 E 7.62 4.50 0.00 2.02 1.63 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 2.34 2.21 0.00 122 L 8.41 3.66 0.00 0.84 0.61 0.59 0.53 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 0.00 123 R 7.90 4.08 0.00 1.86 2.05 0.00 3.27 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 124 E 8.47 4.14 0.00 2.07 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 2.47 0.00 125 N 7.55 4.85 0.00 2.60 2.69 0.00 0.00 6.90 8.02 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 0.00 126 P 0.00 5.00 0.00 2.06 2.12 0.00 3.74 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.28 0.00 127 P 0.00 4.29 0.00 2.28 1.96 0.00 3.71 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.70 0.00 128 V 8.33 3.58 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 0.82 0.00 0.00 0.92 0.00 0.00 129 K 7.70 4.32 0.00 1.81 1.77 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.44 7.81 130 P 0.00 4.19 0.00 1.41 1.59 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 131 D 8.48 4.88 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.05 4.46 0.00 3.36 3.18 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 0.00 133 S 8.52 4.54 0.00 3.94 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 0.00 134 K 8.08 4.72 0.00 1.87 1.95 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.45 7.81 135 L 8.08 4.72 0.00 1.84 1.64 -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 9.02 5.03 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 137 R 8.96 4.79 0.00 2.25 1.84 0.00 3.15 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 138 N 9.25 5.29 0.00 2.80 2.65 0.00 0.00 6.80 8.21 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 0.00 139 I 9.82 4.44 1.99 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 1.33 0.77 0.77 0.00 0.00 140 L 8.71 4.32 0.00 1.83 1.72 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.13 4.60 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 0.00 142 S 7.45 4.54 0.00 4.02 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 0.00 143 N 8.88 4.97 0.00 2.75 2.82 0.00 0.00 6.72 7.69 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 0.00 144 P 0.00 4.77 0.00 1.58 0.89 0.00 3.54 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 1.73 2.14 0.00 145 R 8.11 4.05 0.00 1.92 1.77 0.00 3.05 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 146 V 8.11 4.11 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 0.82 0.00 0.00 0.91 0.00 0.00 147 T 8.48 4.26 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 1.01 0.00 0.00 148 R 8.29 4.63 0.00 1.71 2.00 0.00 3.28 0.00 0.00 3.28 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 149 F 8.32 4.02 0.00 3.19 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 0.00 150 H 8.62 4.76 0.00 3.29 3.36 0.00 5.47 0.00 0.00 0.00 0.00 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 7.66 4.59 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 1.46 0.95 0.93 0.00 0.00 152 N 8.64 4.46 0.00 2.63 2.53 0.00 0.00 7.02 7.56 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