NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.1417 8.3444 121.7139 56.2407 29.6565 176.4997 2 D 4.5269 8.9500 118.4608 52.0038 42.0233 175.2049 3 A 4.1150 8.9919 132.1986 55.1806 18.7594 178.2902 4 A 3.9930 8.0488 119.2245 55.6023 18.3575 180.1325 5 S 4.1504 8.2942 113.3151 61.6424 62.9300 177.0153 6 G 3.7017 8.4882 108.7873 47.4894 0.0000 175.3398 7 E 2.5812 7.8479 120.9607 58.9194 29.7865 178.7067 8 Q 4.0862 7.5686 117.6454 58.9434 28.8938 178.7561 9 V 3.6438 7.5882 119.4577 65.8919 31.4602 177.7139 10 F 4.0311 8.5899 120.6531 60.8556 38.8133 177.0458 11 K 3.8945 7.5680 117.5234 59.4386 30.7461 178.6530 12 Q 4.1146 7.8817 117.4601 59.6068 28.4637 178.5877 13 C 3.9865 7.3623 118.2137 61.9694 27.8663 175.3496 14 L 4.4385 7.3534 122.8053 57.4499 41.5239 178.7834 15 V 3.6873 6.9146 117.5298 65.6863 31.6255 176.1346 16 C 4.7043 7.8683 113.3369 59.6653 31.0585 173.4847 17 H 5.1967 8.4060 115.6987 53.9559 32.5207 172.8962 18 S 5.1738 8.5009 116.5050 57.3595 65.8161 172.8121 19 I 4.3708 8.1027 120.5969 60.7881 40.9778 174.5234 20 G 3.8476 8.7762 113.4233 43.6771 0.0000 170.9857 21 P 4.2374 0.0000 0.0000 63.7879 31.5587 177.1152 22 G 3.8508 8.9500 109.3841 45.8711 0.0000 173.4628 23 A 4.0928 7.5817 122.7471 51.7961 18.8154 177.8825 24 K 4.7343 8.1145 119.8718 54.4238 35.8457 175.8935 25 N 4.6155 8.6425 117.4912 53.6252 39.9997 174.6843 26 K 4.6508 8.1585 122.4249 56.0712 32.6885 178.8819 27 V 3.7305 8.8283 125.4345 65.9617 31.6010 175.4672 28 G 3.9648 8.0944 106.1957 43.0073 0.0000 170.9118 29 P 4.6789 0.0000 0.0000 61.5199 32.4625 176.3483 30 V 3.7209 8.2651 121.0783 63.3891 31.9035 175.7845 31 L 4.4357 8.2374 125.6666 54.3844 41.8948 176.5866 32 N 4.2849 7.8768 116.7719 54.2419 39.0341 174.9094 33 G 3.9962 7.9751 109.3958 46.5053 0.0000 175.1962 34 L 3.7961 7.7231 121.5365 57.5567 42.4713 176.7423 35 F 4.7973 7.3845 116.4250 58.8387 39.1895 175.3125 36 G 4.1492 9.6520 115.1710 45.0621 0.0000 174.0026 37 R 4.3954 7.8540 116.4795 56.1146 31.0430 175.9546 38 H 4.8194 8.8116 118.4808 55.3438 29.5758 175.5617 39 S 4.3040 8.6858 117.7977 58.9143 63.7649 173.8651 40 G 2.1889 7.7308 106.9383 46.5625 0.0000 174.5277 41 T 4.4817 7.6723 107.2447 60.7051 69.5876 174.2091 42 I 3.9482 8.1161 125.3977 61.1672 37.5316 175.3125 43 E 4.1593 8.7332 124.2209 57.5810 30.0672 177.2984 44 G 3.9285 9.1037 110.0677 45.2925 0.0000 172.4529 45 F 4.4922 7.5956 120.6772 56.1619 40.7217 175.9096 46 A 4.1922 6.5576 131.0636 50.8796 17.3482 176.3049 47 Y 4.5597 7.9787 118.4820 57.6526 39.2956 176.8215 48 S 4.5257 8.6526 117.2698 58.1895 65.3813 175.1417 49 D 4.3741 8.6682 122.3263 57.3432 40.3877 178.5390 50 A 4.0224 8.1098 119.9937 55.4344 18.5479 178.8567 51 N 4.4461 8.3892 114.9792 56.7341 39.0108 176.8458 52 K 3.7038 7.8776 119.5327 59.3687 31.2192 177.4126 53 N 4.7630 8.3225 114.7467 53.1132 38.4797 177.1190 54 S 4.1328 7.9094 117.1954 59.4610 63.2754 175.5980 55 G 3.8114 7.4220 105.3068 45.7796 0.0000 173.1931 56 I 3.9059 7.0842 120.1212 60.6301 38.6009 174.9349 57 T 4.3883 7.8140 121.5463 61.5062 70.9295 174.8601 58 W 4.8806 9.1981 127.6497 56.5126 28.7432 175.9176 59 T 4.8187 8.3251 115.4787 60.1638 71.0464 175.9695 60 E 3.9747 8.8346 121.0870 59.5399 29.4253 179.2553 61 E 4.0026 8.2143 118.8078 59.3991 29.7608 178.8837 62 V 3.9107 7.9172 117.9839 65.9743 31.5863 177.6999 63 F 4.5692 9.0694 120.8736 61.3541 39.2334 176.9304 64 R 3.9789 8.6341 118.7394 59.5755 29.7074 178.3562 65 E 4.1204 8.1884 115.9045 59.4795 30.0287 178.1307 66 Y 4.2880 8.4576 120.7291 60.6154 39.0529 177.9676 67 I 3.4339 8.0912 119.7028 63.8818 37.6766 178.0133 68 R 4.6832 7.3332 118.3865 57.8757 31.0417 176.5052 69 D 4.4705 7.8006 115.5100 51.4251 43.2791 173.4537 70 P 3.7290 0.0000 0.0000 64.9540 31.4279 177.9697 71 K 4.0522 8.0263 116.4857 59.7879 32.2234 178.8726 72 A 4.0117 7.8391 121.1038 54.7807 18.3464 179.2207 73 K 4.3854 8.0259 115.5935 57.8289 34.0689 177.4690 74 I 4.6834 7.9890 119.4075 57.9137 37.7976 171.7390 75 P 4.6119 0.0000 0.0000 63.5036 31.9018 177.1644 76 G 3.9828 8.9704 110.4123 45.4045 0.0000 173.5267 77 T 4.1241 7.5524 114.1833 61.9022 67.7840 174.5117 78 K 4.2165 8.6560 125.8597 58.5041 32.4090 177.8517 79 M 4.2700 7.6518 119.3471 54.6374 30.3009 174.0451 80 I 4.2255 7.7913 122.2030 59.7105 36.1184 174.8737 81 F 4.7770 8.1591 126.2516 56.3662 42.3474 175.1897 82 A 3.7474 7.8741 130.7633 53.6456 18.3809 177.3204 83 G 3.6302 5.4823 97.3231 44.9460 0.0000 173.0231 84 V 4.2036 8.6192 118.4858 60.9380 32.2841 176.2828 85 K 3.9499 8.6114 127.6855 58.9681 32.7585 178.2188 86 D 4.3507 8.0084 118.7076 54.2834 41.9882 176.1463 87 E 3.9474 8.8774 127.6733 59.5172 29.6919 178.5081 88 Q 3.9870 8.1490 118.9639 59.1489 29.2616 178.0043 89 K 3.9716 8.2315 119.3117 59.4368 32.0178 179.4183 90 V 3.7115 7.7948 118.1334 66.2957 31.6106 178.0799 91 S 4.2110 8.2095 114.7967 61.8780 62.7014 176.6628 92 D 4.3881 8.4904 121.5908 57.1990 40.6188 178.3190 93 L 4.1789 8.6280 121.1840 58.4724 42.0434 178.9568 94 I 3.7638 8.3585 119.6666 64.5354 36.8662 178.0710 95 A 3.9840 7.7401 119.8042 55.3693 18.3388 178.8125 96 Y 4.2570 8.2566 117.7540 61.0990 39.1106 178.3207 97 I 3.5614 8.0635 120.7238 64.2887 36.9825 178.5828 98 K 4.1856 8.2303 118.2966 59.3476 32.0925 178.9945 99 Q 3.8282 7.7341 118.5728 57.1591 28.4142 176.1791 100 F 4.9515 7.4656 118.5284 56.0533 40.4415 175.4945 101 N 4.8807 9.0926 122.4009 52.0977 39.4373 176.2471 102 A 3.9717 8.5209 122.5516 55.1330 18.4230 178.2920 103 D 4.5531 8.0771 112.7728 53.4446 39.9501 177.3645 104 G 4.0313 8.4497 109.9875 45.4391 0.0000 174.4355 105 S 4.3557 8.6735 115.0649 57.8911 63.8006 173.3815 106 K 4.3759 8.1861 121.5625 55.0409 32.8955 177.2831 107 K 4.0271 8.7490 122.6029 56.9010 31.8744 176.7056 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 Q 8.34 4.14 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.61 2.43 0.00 2 D 8.95 4.53 0.00 2.76 2.57 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 3 A 8.99 4.12 1.40 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 0.00 0.00 4 A 8.05 3.99 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 5 S 8.29 4.15 0.00 4.10 3.94 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 6 G 8.49 3.70 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 0.00 0.00 0.00 7 E 7.85 2.58 0.00 1.73 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 2.14 1.81 0.00 8 Q 7.57 4.09 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 9 V 7.59 3.64 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 1.09 0.00 0.00 0.98 0.00 0.00 10 F 8.59 4.03 0.00 3.07 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.57 3.89 0.00 1.94 1.86 0.00 1.76 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.47 7.81 12 Q 7.88 4.11 0.00 2.39 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 13 C 7.36 3.99 0.00 1.27 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 0.00 0.00 0.00 0.00 14 L 7.35 4.44 0.00 1.72 1.79 1.15 1.23 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 15 V 6.91 3.69 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 0.86 0.00 0.00 0.89 0.00 0.00 16 C 7.87 4.70 0.00 2.63 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 17 H 8.41 5.20 0.00 3.01 3.09 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.50 5.17 0.00 3.90 3.72 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 19 I 8.10 4.37 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 -0.22 0.07 0.15 0.00 0.00 20 G 8.78 3.85 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 0.00 0.00 0.00 21 P 0.00 4.24 0.00 2.07 2.02 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.26 0.00 22 G 8.95 3.85 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 0.00 0.00 0.00 23 A 7.58 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.11 4.73 0.00 1.82 1.75 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.29 1.36 7.81 25 N 8.64 4.62 0.00 2.81 2.99 0.00 0.00 6.73 7.61 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 26 K 8.16 4.65 0.00 1.85 1.21 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.49 7.81 27 V 8.83 3.73 2.05 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 0.78 0.00 0.00 0.93 0.00 0.00 28 G 8.09 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 0.00 0.00 0.00 29 P 0.00 4.68 0.00 1.80 1.02 0.00 3.38 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.31 0.00 30 V 8.27 3.72 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 0.71 0.00 0.00 0.89 0.00 0.00 31 L 8.24 4.44 0.00 1.55 1.44 0.82 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 32 N 7.88 4.28 0.00 2.63 2.90 0.00 0.00 7.08 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.98 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 0.00 0.00 0.00 34 L 7.72 3.80 0.00 1.41 0.89 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 35 F 7.38 4.80 0.00 3.13 2.96 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 36 G 9.65 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 37 R 7.85 4.40 0.00 2.00 2.12 0.00 2.82 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.77 0.00 38 H 8.81 4.82 0.00 3.03 3.23 0.00 5.71 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.69 4.30 0.00 4.00 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 40 G 7.73 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 0.00 0.00 0.00 41 T 7.67 4.48 4.26 0.00 0.00 0.00 0.00 0.00 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 42 I 8.12 3.95 2.06 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 1.48 1.31 1.03 0.00 0.00 43 E 8.73 4.16 0.00 2.12 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 2.32 2.29 0.00 44 G 9.10 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 45 F 7.60 4.49 0.00 2.85 2.57 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 46 A 6.56 4.19 0.94 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 0.00 0.00 47 Y 7.98 4.56 0.00 3.07 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 48 S 8.65 4.53 0.00 4.14 4.10 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 49 D 8.67 4.37 0.00 2.74 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 50 A 8.11 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.39 4.45 0.00 3.00 3.06 0.00 0.00 6.90 5.63 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 52 K 7.88 3.70 0.00 2.06 1.85 0.00 1.90 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 53 N 8.32 4.76 0.00 2.85 2.80 0.00 0.00 6.80 7.72 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 54 S 7.91 4.13 0.00 3.92 4.19 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 55 G 7.42 3.81 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 0.00 0.00 0.00 56 I 7.08 3.91 1.21 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.27 -0.60 0.00 0.00 57 T 7.81 4.39 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 1.15 0.00 0.00 58 W 9.20 4.88 0.00 3.48 3.09 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 59 T 8.33 4.82 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 60 E 8.83 3.97 0.00 1.98 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 1.58 1.94 0.00 61 E 8.21 4.00 0.00 2.09 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 2.44 2.42 0.00 62 V 7.92 3.91 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.94 0.00 0.00 63 F 9.07 4.57 0.00 3.69 3.64 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 64 R 8.63 3.98 0.00 2.26 2.27 0.00 3.22 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 65 E 8.19 4.12 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.52 0.00 66 Y 8.46 4.29 0.00 3.34 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 67 I 8.09 3.43 1.11 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.79 0.75 0.00 0.00 68 R 7.33 4.68 0.00 1.84 1.95 0.00 3.45 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.64 0.00 69 D 7.80 4.47 0.00 2.64 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 70 P 0.00 3.73 0.00 2.07 1.40 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.74 0.00 71 K 8.03 4.05 0.00 2.00 2.09 0.00 1.50 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.67 7.81 72 A 7.84 4.01 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 73 K 8.03 4.39 0.00 2.02 2.23 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.79 7.81 74 I 7.99 4.68 2.17 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.07 1.08 0.00 0.00 75 P 0.00 4.61 0.00 2.07 2.05 0.00 3.80 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 76 G 8.97 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 0.00 0.00 0.00 77 T 7.55 4.12 4.54 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 1.45 0.00 0.00 78 K 8.66 4.22 0.00 1.92 1.94 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.52 7.81 79 M 7.65 4.27 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 80 I 7.79 4.23 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 0.93 0.00 0.00 81 F 8.16 4.78 0.00 3.00 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 82 A 7.87 3.75 1.01 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 0.00 0.00 83 G 5.48 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.62 4.20 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 1.05 0.00 0.00 1.12 0.00 0.00 85 K 8.61 3.95 0.00 1.73 1.82 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.44 7.81 86 D 8.01 4.35 0.00 2.71 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 87 E 8.88 3.95 0.00 2.09 1.95 0.00 0.00 0.00 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 2.40 0.00 88 Q 8.15 3.99 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 89 K 8.23 3.97 0.00 2.11 1.91 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.64 7.81 90 V 7.79 3.71 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 1.28 0.00 0.00 1.00 0.00 0.00 91 S 8.21 4.21 0.00 4.12 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.49 4.39 0.00 2.88 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 93 L 8.63 4.18 0.00 1.98 2.17 1.29 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 94 I 8.36 3.76 2.05 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.86 0.65 0.00 0.00 95 A 7.74 3.98 1.50 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 0.00 0.00 96 Y 8.26 4.26 0.00 3.22 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.06 3.56 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.26 0.60 0.00 0.00 98 K 8.23 4.19 0.00 1.83 1.85 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.25 7.81 99 Q 7.73 3.83 0.00 1.10 1.49 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 2.17 2.47 0.00 100 F 7.47 4.95 0.00 2.99 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 0.00 101 N 9.09 4.88 0.00 2.95 2.74 0.00 0.00 6.72 7.86 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 0.00 102 A 8.52 3.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.08 4.55 0.00 2.78 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 0.00 104 G 8.45 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 0.00 0.00 0.00 105 S 8.67 4.36 0.00 3.95 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 0.00 106 K 8.19 4.38 0.00 1.61 1.59 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.45 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.98 0.65 7.81 107 K 8.75 4.03 0.00 1.58 1.67 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.46 7.81