NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.2911 8.3101 120.1346 56.2685 34.6447 172.8078 14 A 3.7814 9.0250 127.4443 52.4957 17.4125 176.5208 15 K 4.6281 8.5772 115.0951 53.1443 36.3013 175.6370 16 T 4.0407 8.2546 113.1854 62.1254 70.3611 175.7473 17 R 4.0528 8.5398 121.1561 58.9822 30.0831 179.6738 18 S 4.2238 8.0115 115.3731 61.7085 62.6002 176.6097 19 S 4.2615 7.9118 116.7477 61.4126 62.5241 176.5711 20 R 3.9327 7.8375 120.2958 58.3085 29.8270 177.7727 21 A 4.5604 7.5769 117.1893 51.3637 19.8686 177.2716 22 G 3.8310 7.8626 104.5641 46.1367 0.0000 173.3167 23 L 4.9482 7.8619 118.4207 52.5891 44.4457 177.3380 24 Q 4.2384 9.1015 120.9687 57.9099 29.1607 176.6891 25 F 4.4167 8.3267 116.3875 55.5849 40.3435 174.3287 26 P 4.4557 0.0000 0.0000 62.4504 31.6737 177.4164 27 V 3.7664 8.5040 124.3667 65.6949 31.5392 178.0665 28 G 3.6249 8.0645 105.1166 47.7253 0.0000 175.3988 29 R 3.8882 7.9303 120.9575 59.1990 30.2914 178.4401 30 V 3.6488 7.8702 117.9756 66.2979 31.3216 177.4169 31 H 4.2051 8.5098 117.9911 59.2867 29.6657 177.1893 32 R 3.9046 8.1060 120.4397 59.6075 29.9707 178.5581 33 L 4.0738 8.4486 118.8973 57.4993 41.3378 179.3516 34 L 4.3445 7.7480 118.2931 57.3216 41.7319 179.3779 35 R 4.1576 7.8029 118.8755 58.9738 30.0701 178.9591 36 K 3.9862 8.3191 117.0494 59.1562 32.5244 177.7277 37 G 3.5323 7.5412 106.4923 44.9651 0.0000 172.9663 38 N 4.0882 7.4505 115.7558 54.6545 36.1341 174.5437 39 Y 4.4443 7.8354 115.2004 59.5159 39.4104 175.9994 40 A 4.5982 7.5309 119.9590 50.7279 22.1744 176.2352 41 E 4.0087 8.9028 120.3901 58.8369 29.7357 177.3280 42 R 4.7203 7.3157 111.7987 54.2443 34.0124 174.9460 43 V 4.2958 8.2060 118.8083 60.8422 33.6640 175.6454 44 G 3.7809 8.5966 116.1964 45.2141 0.0000 173.6033 45 A 4.0797 8.6195 123.8448 54.7891 18.7779 180.0981 46 G 3.7696 8.0805 102.0626 47.2361 0.0000 175.7807 47 A 4.0105 7.6326 122.0709 54.6690 18.3835 177.8097 48 P 4.1746 0.0000 0.0000 66.0298 31.1001 178.7236 49 V 3.5476 7.7050 117.3491 65.9540 31.6650 176.9111 50 Y 3.8982 8.2298 119.4152 60.8689 38.5203 178.2116 51 L 4.0709 8.4594 121.0654 57.9622 42.1433 178.5087 52 A 4.0780 8.3099 120.7108 55.2349 18.2736 179.3571 53 A 3.8416 8.0926 119.1219 55.3636 18.4284 180.0490 54 V 3.5549 7.8309 116.6061 66.0968 31.6094 178.1841 55 L 3.8964 8.0936 118.9172 57.6967 41.4464 179.1831 56 E 2.6605 7.7534 119.2205 58.8413 29.4901 177.9254 57 Y 4.0350 7.9074 119.6373 60.9808 38.8525 178.3881 58 L 3.5788 7.7743 119.5684 57.6781 41.5879 179.3337 59 T 3.8007 7.6674 115.6110 66.7845 68.3744 176.1194 60 A 3.8867 8.1182 122.5686 55.1504 18.2533 179.0764 61 E 3.6613 8.0221 118.0757 59.5821 29.5759 179.2787 62 I 3.7262 7.6881 119.5423 64.1667 37.1847 178.3803 63 L 3.9345 8.0952 120.0223 58.1500 41.3854 178.4614 64 E 3.8072 8.3634 118.4775 60.4483 29.4313 179.1198 65 L 3.9510 8.1296 118.4150 57.4167 41.8309 179.3381 66 A 4.3657 8.1327 120.9166 54.2175 18.6214 179.8164 67 G 3.5244 8.6081 104.9364 48.1109 0.0000 175.3111 68 N 4.2483 8.3701 119.8781 56.0907 38.1251 177.1786 69 A 4.0664 8.1180 121.4640 55.1105 18.4407 179.5663 70 A 3.5012 7.9818 119.1024 55.1698 18.0608 179.4585 71 R 3.7373 7.9153 117.1189 59.9949 29.9157 178.0982 72 D 4.5412 7.9175 117.6048 57.2404 40.8875 178.1531 73 N 4.7231 7.4541 112.8192 51.9225 39.8451 175.0207 74 K 3.8599 9.3109 118.3838 56.9431 29.4302 175.5077 75 K 4.7034 8.0602 116.0776 55.3504 36.6314 177.0861 76 T 4.4125 8.4518 109.5880 61.2665 70.3075 174.0770 77 R 4.5110 7.7147 122.4816 54.2481 31.8606 175.0036 78 I 4.0747 8.4015 126.6349 61.0317 37.4985 175.4625 79 I 4.4758 8.1581 118.7088 58.2532 40.0404 174.6864 80 P 4.1960 0.0000 0.0000 65.7518 30.9127 178.6801 81 R 3.8430 7.9692 117.1366 59.9439 29.7593 178.0929 82 H 4.3652 8.3023 116.1993 58.7042 28.7140 177.7783 83 L 3.9869 7.8720 120.4947 57.5845 41.4427 179.1821 84 Q 3.9209 8.2818 119.6586 59.1153 29.0814 178.2199 85 L 3.9403 8.0600 119.7463 57.6998 41.4710 179.0313 86 A 3.9804 7.9196 119.5368 55.4715 18.4365 179.6705 87 V 3.6724 7.7524 116.2399 66.3371 31.4810 178.5594 88 R 3.9885 7.9786 116.4271 58.7980 30.0155 177.9140 89 N 4.7120 8.1037 113.9968 52.7641 39.0975 174.1396 90 D 4.8649 7.3331 121.8112 51.9103 43.1664 176.1420 91 E 3.9409 8.9180 127.3639 59.4208 29.6086 178.5165 92 E 4.0593 8.1837 117.8539 59.1557 29.9473 178.8239 93 L 4.0187 8.2081 119.0523 57.7405 41.4081 179.1055 94 N 4.3365 8.1268 116.3923 56.3237 39.1363 176.6943 95 K 4.0750 7.9311 120.7621 59.4559 32.1603 178.5317 96 L 4.0328 7.8411 119.2660 57.2663 42.1326 177.9424 97 L 4.8475 7.9083 118.3948 54.3003 42.8606 178.9761 98 G 3.7113 7.9681 110.9911 47.9972 0.0000 175.4177 99 R 4.6331 7.8412 117.7938 55.8089 30.8283 175.6401 100 V 4.4848 7.4701 116.1902 61.1994 34.2041 174.6221 101 T 4.5361 8.3558 121.5021 61.7423 70.7353 173.6229 102 I 4.1943 8.2399 127.0607 59.4016 38.0110 175.5792 103 A 4.0448 8.5131 129.0791 53.4183 19.0605 176.7652 104 Q 3.4253 8.5736 119.6412 57.3178 26.3536 174.7586 105 G 3.8614 8.0967 105.1294 44.3936 0.0000 175.6878 106 G 3.8024 8.0123 107.6266 45.6084 0.0000 172.5392 107 V 4.5371 7.9625 112.6643 58.8932 35.3377 175.1592 108 L 4.0511 8.2446 121.3825 53.8338 41.9269 175.1276 109 P 4.1938 0.0000 0.0000 63.1817 31.2008 175.5293 110 N 4.8706 8.4476 121.5829 52.0698 41.6592 173.4669 111 I 4.5374 8.1775 125.7467 59.0578 40.3789 175.3492 112 Q 4.0849 8.7349 124.6485 56.0652 29.2967 178.0476 113 S 4.1824 8.8001 117.1641 61.2407 63.1797 176.6261 114 V 3.7958 7.7033 118.8120 63.3641 31.4409 176.6382 115 L 4.3443 7.7226 119.5387 55.5602 42.1640 177.1770 116 L 4.1657 7.5594 118.8055 53.8451 42.0946 174.7285 117 P 3.9353 0.0000 0.0000 62.8799 32.0216 176.2124 118 K 4.1423 8.7465 120.7482 57.4608 33.9568 174.5279 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 13 K 8.31 4.29 0.00 1.77 1.83 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.45 7.81 14 A 9.02 3.78 1.22 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 0.00 0.00 15 K 8.58 4.63 0.00 1.74 1.73 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.34 7.81 16 T 8.25 4.04 4.25 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 1.22 0.00 0.00 17 R 8.54 4.05 0.00 1.90 2.05 0.00 3.16 0.00 0.00 3.37 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 18 S 8.01 4.22 0.00 3.89 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 0.00 19 S 7.91 4.26 0.00 4.01 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 20 R 7.84 3.93 0.00 2.00 2.05 0.00 3.15 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 21 A 7.58 4.56 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 22 G 7.86 3.83 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 0.00 0.00 0.00 23 L 7.86 4.95 0.00 1.71 1.84 0.95 0.82 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 24 Q 9.10 4.24 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 25 F 8.33 4.42 0.00 3.06 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 26 P 0.00 4.46 0.00 2.25 2.17 0.00 3.57 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.88 0.00 27 V 8.50 3.77 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 1.11 0.00 0.00 1.08 0.00 0.00 28 G 8.06 3.62 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 0.00 0.00 0.00 0.00 29 R 7.93 3.89 0.00 1.89 2.08 0.00 3.15 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 30 V 7.87 3.65 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 1.08 0.00 0.00 31 H 8.51 4.21 0.00 3.43 3.41 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.11 3.90 0.00 2.05 2.14 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 33 L 8.45 4.07 0.00 1.91 1.79 0.96 0.54 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 34 L 7.75 4.34 0.00 1.93 1.84 0.92 0.76 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 35 R 7.80 4.16 0.00 1.99 1.98 0.00 3.09 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 36 K 8.32 3.99 0.00 1.85 2.14 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.40 7.81 37 G 7.54 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 0.00 0.00 0.00 38 N 7.45 4.09 0.00 2.62 2.78 0.00 0.00 6.88 8.81 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 39 Y 7.84 4.44 0.00 2.98 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 40 A 7.53 4.60 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 41 E 8.90 4.01 0.00 1.95 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 2.31 2.35 0.00 42 R 7.32 4.72 0.00 1.86 1.78 0.00 3.17 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 43 V 8.21 4.30 2.21 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 0.84 0.00 0.00 1.01 0.00 0.00 44 G 8.60 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 45 A 8.62 4.08 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 46 G 8.08 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 47 A 7.63 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.17 0.00 2.26 2.35 0.00 3.69 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 2.14 1.53 0.00 49 V 7.70 3.55 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 1.02 0.00 0.00 0.95 0.00 0.00 50 Y 8.23 3.90 0.00 3.25 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 51 L 8.46 4.07 0.00 1.91 1.76 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.31 4.08 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 3.84 1.27 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 0.00 0.00 54 V 7.83 3.55 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 1.10 0.00 0.00 1.15 0.00 0.00 55 L 8.09 3.90 0.00 1.82 1.68 1.06 1.03 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 56 E 7.75 2.66 0.00 1.65 1.82 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 2.15 2.04 0.00 57 Y 7.91 4.04 0.00 3.03 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 58 L 7.77 3.58 0.00 1.67 1.60 1.00 0.83 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 59 T 7.67 3.80 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 1.33 0.00 0.00 60 A 8.12 3.89 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 61 E 8.02 3.66 0.00 1.46 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 2.12 2.27 0.00 62 I 7.69 3.73 1.83 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 1.46 0.56 0.89 0.00 0.00 63 L 8.10 3.93 0.00 1.65 1.71 0.95 0.92 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 64 E 8.36 3.81 0.00 2.05 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 0.00 2.29 2.41 0.00 65 L 8.13 3.95 0.00 1.65 1.69 0.97 0.85 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 66 A 8.13 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.61 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.37 4.25 0.00 2.92 2.89 0.00 0.00 6.99 7.30 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 69 A 8.12 4.07 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 70 A 7.98 3.50 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 71 R 7.92 3.74 0.00 2.07 1.98 0.00 3.12 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 72 D 7.92 4.54 0.00 2.81 2.75 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 0.00 0.00 0.00 0.00 73 N 7.45 4.72 0.00 2.73 2.85 0.00 0.00 7.08 7.49 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 74 K 9.31 3.86 0.00 1.92 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.54 7.81 75 K 8.06 4.70 0.00 1.79 1.66 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.49 7.81 76 T 8.45 4.41 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 1.21 0.00 0.00 77 R 7.71 4.51 0.00 1.77 1.86 0.00 3.24 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 78 I 8.40 4.07 1.89 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 1.48 0.66 0.95 0.00 0.00 79 I 8.16 4.48 1.82 0.00 0.00 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 1.20 0.95 0.91 0.00 0.00 80 P 0.00 4.20 0.00 2.36 2.23 0.00 3.58 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 2.10 2.15 0.00 81 R 7.97 3.84 0.00 1.84 1.75 0.00 3.22 0.00 0.00 3.42 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 82 H 8.30 4.37 0.00 3.32 3.47 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.87 3.99 0.00 1.83 1.72 0.93 0.80 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 84 Q 8.28 3.92 0.00 2.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.44 0.00 85 L 8.06 3.94 0.00 1.90 1.71 0.96 0.67 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 86 A 7.92 3.98 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 87 V 7.75 3.67 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 1.02 0.00 0.00 0.95 0.00 0.00 88 R 7.98 3.99 0.00 1.87 1.98 0.00 3.37 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.81 0.00 89 N 8.10 4.71 0.00 2.90 2.86 0.00 0.00 6.76 7.41 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 90 D 7.33 4.86 0.00 2.79 2.49 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 91 E 8.92 3.94 0.00 2.07 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 0.00 2.38 2.41 0.00 92 E 8.18 4.06 0.00 2.20 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 2.39 2.40 0.00 93 L 8.21 4.02 0.00 1.70 1.70 0.88 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.13 4.34 0.00 2.99 3.05 0.00 0.00 7.19 6.29 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 95 K 7.93 4.07 0.00 1.97 1.93 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 96 L 7.84 4.03 0.00 1.76 1.86 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.91 4.85 0.00 1.78 1.62 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.97 3.71 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 0.00 0.00 0.00 99 R 7.84 4.63 0.00 1.79 1.92 0.00 3.32 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 100 V 7.47 4.48 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 0.81 0.00 0.00 0.94 0.00 0.00 101 T 8.36 4.54 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 1.21 0.00 0.00 102 I 8.24 4.19 2.02 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 1.35 0.52 0.94 0.00 0.00 103 A 8.51 4.04 1.24 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 0.00 0.00 0.00 104 Q 8.57 3.43 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 105 G 8.10 3.86 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 0.00 0.00 0.00 106 G 8.01 3.80 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 0.00 0.00 0.00 107 V 7.96 4.54 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 0.78 0.00 0.00 0.93 0.00 0.00 108 L 8.24 4.05 0.00 1.63 1.60 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.19 0.00 2.04 2.05 0.00 3.66 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 2.03 2.09 0.00 110 N 8.45 4.87 0.00 2.62 2.64 0.00 0.00 7.02 7.94 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 0.00 111 I 8.18 4.54 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 1.41 0.79 0.91 0.00 0.00 112 Q 8.73 4.08 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 113 S 8.80 4.18 0.00 4.00 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 0.00 114 V 7.70 3.80 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 0.74 0.00 0.00 0.93 0.00 0.00 115 L 7.72 4.34 0.00 1.78 1.75 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.56 4.17 0.00 1.77 1.60 0.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 3.94 0.00 2.04 1.98 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 118 K 8.75 4.14 0.00 1.95 1.81 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.41 7.81