NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4027 8.3344 115.4282 58.5306 63.4003 172.7472 2 D 4.3397 8.8570 116.5969 53.5173 42.1937 174.8058 3 K 4.3064 8.7812 123.4313 56.7875 34.4605 176.2341 4 I 4.4209 7.3537 120.2805 60.1393 38.5516 175.2657 5 I 4.0049 8.4397 128.0516 61.0656 38.4809 174.9607 6 H 4.9014 8.7522 125.0399 54.4541 28.2617 175.0404 7 L 4.4501 8.5287 123.6517 54.6030 42.2413 176.2811 8 T 5.0335 8.2884 110.0010 58.1350 71.9448 174.8093 9 D 4.5293 8.8117 122.1413 57.0772 40.7273 178.5859 10 E 4.1899 8.1598 118.1421 58.9716 29.9219 178.5202 11 S 4.4633 8.1391 112.5510 59.1126 63.5409 176.0150 12 F 3.8806 7.9064 124.7092 61.6429 39.1270 175.7226 13 D 4.3803 8.4719 116.9601 58.2449 40.6193 178.4602 14 T 3.8104 7.7518 114.4099 66.9139 68.6677 176.0029 15 D 4.3774 8.0035 119.5050 56.0599 40.5708 177.4934 16 V 3.7380 7.5958 116.7337 64.3802 32.6760 177.7833 17 L 4.0005 7.4269 116.4204 57.1238 41.7383 177.9533 18 K 4.3216 8.0477 115.3187 55.8849 32.2429 176.0896 19 A 4.1929 7.4289 123.5064 51.6402 19.4491 178.1340 20 D 4.9075 8.5671 124.8212 50.9645 40.3586 176.3002 21 G 3.8812 6.9630 109.8313 46.1387 0.0000 168.2488 22 A 5.1761 7.9273 122.7519 50.6335 21.4275 176.6904 23 I 4.8508 8.7612 123.0113 59.3411 40.8140 174.6110 24 L 4.8737 8.8332 130.4800 54.1401 42.7595 175.1814 25 V 4.4489 8.9304 127.9959 61.6874 33.4863 174.0539 26 D 5.1976 8.8895 128.1450 52.7503 43.1012 174.7318 27 F 5.3109 9.3954 126.7969 56.3758 40.6278 175.3468 28 W 5.3644 8.7245 118.9134 55.8930 31.9903 172.9091 29 A 3.9146 7.9708 119.9997 49.9516 21.4881 177.1124 30 E 4.1136 8.1685 120.5980 58.7260 29.9633 178.2495 31 W 4.3277 7.4603 114.0031 57.8912 28.8791 176.9326 32 C 4.7733 7.5433 120.5380 55.3188 43.1188 173.7185 33 G 3.6516 8.7729 115.7065 47.7362 0.0000 172.5440 34 P 4.3218 0.0000 0.0000 65.2151 30.8344 179.4667 35 C 4.3269 8.1097 114.8816 60.0945 40.0587 176.1850 36 K 3.7576 7.8458 118.5832 59.4354 31.6135 179.0170 37 M 4.1803 7.8243 118.8833 58.0402 32.1209 178.0949 38 I 3.9878 7.5165 111.6688 61.9268 38.2195 177.6388 39 A 3.7470 7.3749 123.3603 54.9049 17.7628 177.8872 40 P 4.5089 0.0000 0.0000 65.2239 31.3530 178.6362 41 I 3.7580 7.4863 119.6765 64.1610 37.1397 177.8995 42 L 3.9396 8.1129 120.1657 57.8411 40.9557 179.2542 43 D 4.3415 7.9703 118.6816 57.5206 40.7164 178.8193 44 E 4.0153 7.8868 118.4147 59.3145 29.4237 179.5266 45 I 3.8256 7.9593 119.6770 64.2412 36.9668 177.9656 46 A 3.9984 8.1078 120.7976 55.5267 18.3090 179.0498 47 D 4.4705 8.0154 116.8643 57.9322 40.7835 179.1915 48 E 4.0665 8.5891 117.7996 58.6294 29.6002 177.9746 49 Y 4.5216 8.6046 115.8666 56.4446 38.2695 174.9418 50 Q 4.0029 7.1826 119.6531 58.2097 28.9696 177.9598 51 G 3.9868 9.1181 111.1905 45.3755 0.0000 173.4752 52 K 4.3791 8.3203 118.4840 57.4273 33.3162 176.0962 53 L 5.0405 7.5782 114.9971 54.7333 44.0712 174.9221 54 T 4.6812 8.5873 115.3554 61.7145 71.7880 173.7663 55 V 4.5425 8.2407 124.5597 62.0673 33.4296 174.4633 56 A 5.0663 8.9580 128.0237 50.1600 23.0512 174.8872 57 K 4.9347 8.9893 119.7485 54.3947 36.2557 175.0955 58 L 4.8446 9.0180 126.4630 53.1637 45.0533 174.6135 59 N 4.2892 8.7086 126.1396 52.8853 39.2717 175.2873 60 I 4.1751 8.4788 119.9395 62.6549 38.5979 177.9070 61 D 4.4255 8.0879 122.4688 57.1447 41.2344 177.8797 62 Q 4.1540 8.2711 116.6575 58.0442 29.0138 176.2825 63 N 5.0284 8.0556 115.5572 50.6978 38.7741 172.8578 64 P 4.6847 0.0000 0.0000 63.2303 32.5313 178.8695 65 G 3.7303 8.8924 109.0431 48.8154 0.0000 175.5441 66 T 3.9062 8.3380 116.9360 66.2527 68.9135 176.7890 67 A 3.7922 8.1180 122.8100 54.6445 18.1890 177.6906 68 P 4.1932 0.0000 0.0000 65.5595 31.1419 178.8123 69 K 3.9163 7.7533 115.8982 58.2867 31.8235 177.3223 70 Y 4.4548 7.3095 114.4805 57.0097 38.4147 175.7246 71 G 3.9203 7.7964 106.7477 46.2498 0.0000 174.4285 72 I 3.6799 7.4746 120.4163 61.2196 37.1936 174.2180 73 R 4.3970 8.0072 121.6122 56.9235 33.1908 176.2813 74 G 3.8170 8.3216 110.6058 45.7768 0.0000 172.7041 75 I 4.7663 7.9899 115.5850 57.5883 40.6500 173.4301 76 P 5.1733 0.0000 0.0000 62.9319 32.8242 174.9290 77 T 4.9982 8.6801 118.6430 61.9447 71.3728 172.8732 78 L 5.1189 9.0055 127.7155 53.4880 43.5101 175.5092 79 L 5.0297 9.0666 125.2846 52.8803 44.1267 175.6798 80 L 4.7366 9.1173 127.7370 54.5126 42.8691 175.3017 81 F 5.0009 9.4808 126.7120 56.2903 41.3607 175.4703 82 K 4.6217 9.1709 122.4115 54.5711 34.9314 176.2579 83 N 4.7559 9.6184 125.0753 53.0994 36.6277 175.8190 84 G 4.1211 8.8708 105.1342 45.0551 0.0000 173.5177 85 E 4.7592 8.0778 119.4046 53.9921 31.9792 175.5520 86 V 3.5586 8.4017 123.5824 62.9514 31.9135 175.0258 87 A 4.5622 8.9743 129.3180 53.3739 20.3607 176.8510 88 A 4.7302 7.5246 114.6967 51.1771 22.8989 175.5728 89 T 5.0719 8.6880 116.1798 61.6981 72.3649 173.3923 90 K 4.3342 9.1142 127.2478 54.5767 35.0753 174.6615 91 V 4.5785 8.6681 127.5533 62.3809 33.2199 176.2625 92 G 3.9531 9.1187 112.9677 44.9728 0.0000 172.9057 93 A 4.2189 7.9834 121.7494 52.0734 19.0269 176.6561 94 L 4.4518 7.7055 118.4271 53.5093 43.1409 175.6751 95 S 4.4860 8.9127 115.7899 57.1850 65.3515 175.2054 96 K 3.9588 8.5326 122.2256 59.7415 31.7363 178.6660 97 G 3.6818 8.0968 105.3562 47.9875 0.0000 175.5232 98 Q 4.0206 8.0904 120.3549 58.5207 28.6882 178.3420 99 L 3.9357 8.2480 121.7592 58.0873 42.1140 178.8611 100 K 3.9325 8.3507 118.7722 59.8044 32.1664 178.7621 101 E 4.0012 8.0472 119.0407 59.1921 29.4209 178.4600 102 F 4.1815 8.4905 120.8166 61.3651 39.4069 177.2151 103 L 3.7694 8.3144 118.6636 57.9003 39.9028 179.1082 104 D 4.4362 8.6415 119.0258 57.4841 40.5358 178.8626 105 A 4.2787 7.8261 120.0692 54.3939 18.4845 178.4818 106 N 4.5426 7.3288 112.6768 53.9294 39.3582 176.8662 107 L 4.1464 7.8687 119.9339 56.8128 41.8957 176.5931 108 A 4.1543 7.2527 124.7316 52.3332 18.3073 176.9369 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 S 8.33 4.40 0.00 4.02 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 2 D 8.86 4.34 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.78 4.31 0.00 1.77 1.82 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.44 7.81 4 I 7.35 4.42 1.76 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 1.26 0.45 0.69 0.00 0.00 5 I 8.44 4.00 1.77 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 1.17 0.58 0.85 0.00 0.00 6 H 8.75 4.90 0.00 3.07 3.33 0.00 5.70 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 7 L 8.53 4.45 0.00 1.71 1.70 0.89 0.71 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 8 T 8.29 5.03 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 1.24 0.00 0.00 9 D 8.81 4.53 0.00 2.69 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 10 E 8.16 4.19 0.00 1.95 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 2.33 2.45 0.00 11 S 8.14 4.46 0.00 4.09 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 12 F 7.91 3.88 0.00 3.39 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 13 D 8.47 4.38 0.00 2.85 2.72 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 14 T 7.75 3.81 4.22 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 1.18 0.00 0.00 15 D 8.00 4.38 0.00 2.52 2.53 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 16 V 7.60 3.74 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 -0.37 0.00 0.00 -0.03 0.00 0.00 17 L 7.43 4.00 0.00 1.75 1.74 1.07 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.05 4.32 0.00 1.85 1.81 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.66 1.51 7.81 19 A 7.43 4.19 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 20 D 8.57 4.91 0.00 2.62 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 21 G 6.96 3.88 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 0.00 0.00 0.00 22 A 7.93 5.18 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 23 I 8.76 4.85 1.76 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 1.06 0.84 0.80 0.00 0.00 24 L 8.83 4.87 0.00 1.78 1.55 1.07 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.93 4.45 2.26 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 0.37 0.00 0.00 0.72 0.00 0.00 26 D 8.89 5.20 0.00 2.73 2.54 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 27 F 9.40 5.31 0.00 3.00 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 28 W 8.72 5.36 0.00 3.37 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 29 A 7.97 3.91 0.09 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 30 E 8.17 4.11 0.00 1.87 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 2.36 2.44 0.00 31 W 7.46 4.33 0.00 3.53 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 32 C 7.54 4.77 0.00 2.05 2.77 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 33 G 8.77 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.32 0.00 2.19 2.13 0.00 3.67 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 2.16 2.22 0.00 35 C 8.11 4.33 0.00 3.22 3.29 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 36 K 7.85 3.76 0.00 1.89 1.86 0.00 1.75 0.00 0.00 2.05 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.75 7.81 37 M 7.82 4.18 0.00 1.98 2.25 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 2.64 2.81 0.00 38 I 7.52 3.99 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.84 0.96 0.00 0.00 39 A 7.37 3.75 1.11 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 0.00 0.00 40 P 0.00 4.51 0.00 2.23 2.28 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.87 0.00 41 I 7.49 3.76 1.97 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 1.62 0.77 0.88 0.00 0.00 42 L 8.11 3.94 0.00 1.73 1.61 0.75 1.24 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 43 D 7.97 4.34 0.00 2.85 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 44 E 7.89 4.02 0.00 2.22 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 2.33 2.49 0.00 45 I 7.96 3.83 1.93 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 1.66 0.93 0.66 0.00 0.00 46 A 8.11 4.00 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 47 D 8.02 4.47 0.00 3.02 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 48 E 8.59 4.07 0.00 2.13 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 2.35 2.60 0.00 49 Y 8.60 4.52 0.00 3.04 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 50 Q 7.18 4.00 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 51 G 9.12 3.99 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 0.00 0.00 0.00 52 K 8.32 4.38 0.00 2.05 1.98 0.00 1.58 0.00 0.00 1.79 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.32 7.81 53 L 7.58 5.04 0.00 1.81 1.63 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.59 4.68 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 1.16 0.00 0.00 55 V 8.24 4.54 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 1.00 0.00 0.00 0.90 0.00 0.00 56 A 8.96 5.07 1.05 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 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.99 4.93 0.00 1.69 1.78 0.00 1.36 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.13 1.19 7.81 58 L 9.02 4.84 0.00 1.60 1.22 1.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.71 4.29 0.00 2.21 2.47 0.00 0.00 6.92 7.97 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 60 I 8.48 4.18 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.52 1.07 0.00 0.00 61 D 8.09 4.43 0.00 2.75 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 62 Q 8.27 4.15 0.00 1.95 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.13 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 63 N 8.06 5.03 0.00 2.85 2.92 0.00 0.00 6.63 7.39 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 64 P 0.00 4.68 0.00 2.18 2.17 0.00 3.49 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 65 G 8.89 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.34 3.91 4.22 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 0.57 0.00 0.00 67 A 8.12 3.79 1.19 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 68 P 0.00 4.19 0.00 2.11 2.07 0.00 3.62 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 2.08 2.15 0.00 69 K 7.75 3.92 0.00 1.61 1.33 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.36 7.81 70 Y 7.31 4.45 0.00 2.76 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 71 G 7.80 3.92 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 0.00 0.00 0.00 72 I 7.47 3.68 1.63 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.34 0.81 0.00 0.00 73 R 8.01 4.40 0.00 1.75 1.73 0.00 3.38 0.00 0.00 3.23 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 74 G 8.32 3.82 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 0.00 0.00 0.00 75 I 7.99 4.77 1.89 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.77 1.03 0.00 0.00 76 P 0.00 5.17 0.00 2.16 2.25 0.00 3.82 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 2.11 1.83 0.00 77 T 8.68 5.00 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 1.29 0.00 0.00 78 L 9.01 5.12 0.00 1.39 1.57 0.76 0.36 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 79 L 9.07 5.03 0.00 1.88 1.39 0.87 0.42 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 80 L 9.12 4.74 0.00 1.81 1.52 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.48 5.00 0.00 3.02 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 82 K 9.17 4.62 0.00 1.63 1.72 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.37 7.81 83 N 9.62 4.76 0.00 2.82 2.90 0.00 0.00 7.22 7.20 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 84 G 8.87 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.08 4.76 0.00 2.09 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 2.28 2.29 0.00 86 V 8.40 3.56 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 0.59 0.00 0.00 0.08 0.00 0.00 87 A 8.97 4.56 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 88 A 7.52 4.73 1.07 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 89 T 8.69 5.07 4.29 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 1.23 0.00 0.00 90 K 9.11 4.33 0.00 0.79 1.09 0.00 1.12 0.00 0.00 0.91 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.88 1.13 7.81 91 V 8.67 4.58 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 0.90 0.00 0.00 0.93 0.00 0.00 92 G 9.12 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 0.00 0.00 0.00 93 A 7.98 4.22 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 94 L 7.71 4.45 0.00 1.82 1.54 0.76 0.50 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 95 S 8.91 4.49 0.00 4.06 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 96 K 8.53 3.96 0.00 1.84 1.86 0.00 1.74 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.54 1.53 7.81 97 G 8.10 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 98 Q 8.09 4.02 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 99 L 8.25 3.94 0.00 1.78 1.80 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.35 3.93 0.00 2.17 1.97 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.72 1.64 7.81 101 E 8.05 4.00 0.00 2.19 2.10 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 2.35 2.35 0.00 102 F 8.49 4.18 0.00 3.10 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 0.00 103 L 8.31 3.77 0.00 1.70 1.48 0.36 1.35 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 0.00 104 D 8.64 4.44 0.00 2.73 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 0.00 105 A 7.83 4.28 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 0.00 106 N 7.33 4.54 0.00 2.24 2.56 0.00 0.00 7.07 7.83 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 0.00 107 L 7.87 4.15 0.00 1.72 1.74 1.07 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.25 4.15 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