NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8338 8.3544 109.7197 44.9415 0.0000 174.0345 4 D 4.2153 8.4126 123.5829 53.1011 42.8885 175.5336 5 K 3.9512 9.4078 128.5752 59.6277 32.8067 178.7951 6 K 4.0116 8.0847 118.2238 58.8625 31.8778 179.4456 7 V 3.5945 8.3090 119.1046 66.2455 31.5755 178.1015 8 I 3.4278 7.5381 119.2980 64.4904 36.8328 178.5578 9 Q 3.9865 7.9733 118.9093 59.1290 28.5783 178.1589 10 H 4.1291 8.3408 117.3056 58.8374 28.7371 177.8671 11 L 4.0133 8.7943 121.5061 57.9949 41.4289 179.4141 12 N 4.3986 8.2685 116.2414 55.8291 38.3957 177.4448 13 K 3.9537 7.9606 121.4996 59.1934 32.3183 178.9329 14 I 3.6838 7.7369 120.1849 64.2156 37.0628 177.8058 15 L 3.9939 8.0272 121.2835 58.4107 41.7334 179.1297 16 G 3.7336 8.2355 105.4334 48.1919 0.0000 175.2993 17 N 4.3714 8.2251 118.6540 55.8824 38.3875 177.4916 18 E 3.9134 8.6362 120.4374 59.4695 29.3490 179.0855 19 L 3.9231 8.4439 119.2663 58.1094 41.5508 179.8932 20 I 3.7042 7.5120 119.3779 64.2946 37.0265 178.3998 21 A 3.2593 7.7488 121.6298 54.6149 17.9791 179.3498 22 I 3.6030 7.8900 118.8636 65.0913 37.2010 178.3523 23 N 4.3551 7.7276 115.4343 56.1379 38.3629 177.1772 24 Q 3.8767 8.2087 121.3070 59.6913 29.1647 178.1686 25 Y 4.8173 8.3614 119.2140 60.5408 37.9466 178.6197 26 F 3.9715 8.6748 121.9344 61.1731 39.5176 176.9205 27 L 4.0280 8.3141 120.1786 58.6939 41.8095 178.7315 28 H 3.8540 8.3479 116.1005 58.4482 28.5126 177.5796 29 S 4.3161 8.1205 115.1199 61.8455 62.2192 176.7013 30 R 3.9046 7.9206 120.4212 59.2029 29.7985 179.0561 31 M 3.5117 7.9849 118.9067 57.9579 31.7944 178.7742 32 W 4.4716 7.8843 119.0866 59.8272 29.2196 178.2970 33 N 4.3611 8.3068 116.4806 56.4077 37.7789 176.7464 34 D 4.3559 7.8809 118.2133 57.2415 41.3801 177.8943 35 W 4.8179 7.8157 116.1489 57.3104 29.0266 177.2292 36 G 3.9745 8.2886 108.0405 45.8050 0.0000 174.3799 37 L 4.8385 8.0228 121.5419 53.3791 40.3834 177.8370 38 K 4.0077 8.2130 121.1648 59.0476 32.4394 179.4041 39 R 3.8782 8.0097 119.4530 59.3361 29.9894 178.4544 40 L 3.8409 7.7495 118.4886 57.4311 41.3456 179.3056 41 G 3.8779 8.3678 105.8288 48.0645 0.0000 175.5614 42 A 3.9513 8.0500 123.3004 54.9074 18.4995 179.0564 43 H 3.8943 8.3073 116.8377 59.5328 29.7198 177.0779 44 E 4.1116 8.5907 120.9252 59.0209 29.4299 178.0806 45 Y 3.9947 7.7771 119.8949 60.8221 38.8519 177.2478 46 H 4.1292 8.2656 117.2915 58.6951 28.8666 177.5469 47 E 3.8889 8.0659 120.5662 59.3480 29.2019 179.4164 48 S 4.2698 7.9145 112.7317 61.4020 62.5486 176.0468 49 I 3.5881 7.6346 122.6349 64.5516 36.8408 178.0484 50 D 4.2348 8.0636 119.3987 57.5166 40.6734 178.7970 51 E 4.3327 7.9868 119.8253 59.1458 29.4355 179.1462 52 M 4.0238 8.1738 118.7780 58.5568 32.1248 178.9885 53 K 4.0470 7.9026 118.3672 59.3319 32.2409 179.1735 54 H 4.2375 8.1903 116.4413 58.8656 28.7107 177.3877 55 A 4.0019 8.0796 122.4903 55.3940 18.2775 178.9580 56 D 4.3023 8.0894 116.2673 57.7113 41.2068 178.8555 57 K 4.0486 7.9193 118.3238 59.1099 32.1221 179.1049 58 L 3.9956 7.9878 119.3952 58.1313 41.5089 179.7600 59 I 3.7370 7.8587 119.2892 64.5669 36.5944 178.4696 60 E 3.9993 8.1614 119.1657 59.1938 29.2221 179.4334 61 R 4.0626 8.2432 119.0371 59.4516 30.1849 178.7288 62 I 3.7471 7.8610 119.6342 64.4492 37.0506 178.4792 63 L 4.0972 8.3101 119.8323 57.3744 41.1048 179.2766 64 F 4.3952 7.5865 119.1218 60.7505 39.5084 176.5658 65 L 3.9392 7.6928 115.4919 54.3138 41.4286 176.8575 66 E 3.7162 7.5483 117.4805 57.2021 27.4154 175.0009 67 G 3.9393 7.7270 109.2088 44.3384 0.0000 173.0875 68 L 4.6436 8.0787 119.0678 52.0135 43.5698 174.9133 69 P 4.4081 0.0000 0.0000 62.4641 31.7585 176.1877 70 N 4.6628 9.2282 123.0553 52.3844 37.8874 173.7040 71 L 4.5896 8.1496 122.4088 54.2865 42.2446 177.4961 72 Q 4.1182 8.1493 122.0747 57.4943 29.3867 175.5990 73 D 4.7523 8.0344 117.6483 52.3234 42.0229 175.1939 74 L 4.6445 8.3788 125.9740 52.9956 44.5088 176.3681 75 G 3.8221 8.3584 118.6004 45.0260 0.0000 172.5033 76 K 4.1711 8.4509 124.4292 55.0501 31.8477 177.6758 77 L 4.0764 8.3795 127.2760 55.0755 42.0842 178.2847 78 L 4.4976 8.5149 124.9822 53.3485 40.3786 174.5210 79 I 4.0047 7.7551 121.6341 60.2826 38.1316 176.6898 80 G 4.0477 8.7514 114.8789 44.7146 0.0000 172.6075 81 E 4.7636 8.5187 113.7891 55.6229 30.7508 174.7641 82 N 5.1629 7.7093 116.0871 50.9653 40.9246 175.1141 83 T 4.4251 8.8131 113.7891 67.1909 68.5484 176.5962 84 Q 3.9860 8.1113 120.9309 59.2877 29.1460 177.8932 85 E 4.0443 8.6397 119.6695 59.6135 29.4766 179.2451 86 M 3.9712 8.4556 119.1086 58.1802 31.8402 178.8172 87 L 4.1168 8.1795 119.1673 57.9309 41.8404 179.2656 88 Q 3.9629 8.0171 119.2176 59.4708 28.9454 178.2032 89 C 4.2076 8.5803 118.1143 63.0329 28.1868 175.8750 90 D 4.6865 8.4277 120.5247 57.2075 40.2484 178.5179 91 L 3.9428 8.2475 121.2245 58.1805 42.3088 178.3892 92 N 4.2130 8.8493 116.7067 56.7391 38.6385 177.1270 93 L 4.0472 8.0835 121.3158 58.1987 42.1311 178.8548 94 E 4.1644 8.5695 118.6046 59.0710 29.3815 179.2310 95 L 4.0124 8.2923 119.7000 57.6530 41.5389 179.3915 96 K 3.9706 8.1158 119.2180 59.2745 32.1226 178.8518 97 A 3.9824 8.0430 121.0340 55.3915 18.4175 179.4138 98 T 3.8465 8.1865 114.7462 66.9428 68.7022 176.4995 99 K 3.9566 8.0097 121.0788 59.7304 32.2266 178.5726 100 D 4.4083 7.9865 119.0634 57.1808 40.7135 178.6031 101 L 4.0122 8.0544 119.5636 58.0652 41.7066 179.8932 102 R 3.9787 7.8959 117.3565 59.2861 30.0978 179.0065 103 E 4.0083 8.1729 117.9540 59.1612 29.3070 179.1093 104 A 3.7833 8.0185 120.8307 54.6356 18.6168 179.7458 105 I 3.6799 7.8155 118.6974 64.2438 36.9122 178.7231 106 V 3.5611 7.4735 118.2847 66.2987 31.7021 177.2113 107 H 4.1515 7.9704 117.4380 59.4769 29.6045 176.8996 108 C 4.0523 8.2489 118.8082 62.8734 27.5425 175.8017 109 E 3.8780 8.2336 120.8227 59.1293 28.9812 178.4709 110 Q 3.9586 7.6135 118.6878 57.8770 29.3309 176.6093 111 V 3.9320 7.3949 108.3843 60.6219 31.9638 174.9636 112 H 2.9192 7.0710 115.1886 57.1311 26.6494 176.2833 113 D 4.5333 7.4863 119.4412 53.4148 38.3007 174.9755 114 Y 4.2986 7.4006 121.4837 60.3943 38.4180 177.7663 115 V 3.6513 7.8475 119.0442 66.1491 31.9295 178.0966 116 S 4.2109 8.2557 114.3858 61.4662 62.5571 176.8395 117 R 3.9295 7.8484 121.1498 59.3006 29.7979 177.9392 118 D 4.3863 8.2851 118.9132 57.4699 40.8318 178.4481 119 L 3.9365 7.8473 120.3882 58.5415 41.9960 179.0990 120 L 4.0474 7.9827 120.5631 58.3627 41.5637 180.4291 121 K 4.0282 8.5432 124.1252 59.6812 31.5757 181.5341 122 D 4.5465 8.2868 119.7042 57.4537 40.7455 178.7585 123 I 3.4841 7.8486 120.4080 64.2557 37.0146 178.1806 124 L 3.9267 8.1658 121.2977 58.1714 41.9277 178.5091 125 E 3.9188 8.2544 119.2065 59.4399 29.5340 178.7675 126 S 4.1474 8.1080 113.0687 61.5477 62.4069 176.0551 127 E 4.1615 8.5446 121.4243 59.3269 29.1552 179.1740 128 E 4.0083 8.5658 119.0945 59.3900 29.4214 179.0044 129 E 4.0729 8.2941 118.7180 59.8488 29.4624 178.9783 130 H 4.3793 8.3764 118.1538 59.2606 29.8455 177.3848 131 I 3.6956 8.1469 121.9119 64.3316 36.9731 177.6849 132 D 4.3265 8.5944 119.1989 57.6015 41.0550 177.3477 133 Y 4.1820 8.2809 120.0599 60.9955 38.7007 178.2915 134 L 3.6717 8.1944 119.4581 57.9241 41.8041 179.4944 135 E 3.9141 8.4527 118.7372 59.5522 29.2678 179.6347 136 T 3.7852 7.8201 115.7591 66.6179 68.5355 176.4911 137 Q 3.8329 7.6809 119.8014 59.1070 28.2847 179.1063 138 L 3.8738 7.8262 119.8477 57.8225 41.6108 179.9861 139 G 3.6100 8.0325 105.5530 47.5559 0.0000 175.8279 140 L 4.1295 7.9784 121.2078 57.2661 41.6239 179.5036 141 I 3.5854 7.3444 120.1397 64.3782 36.7526 178.3490 142 Q 3.9740 7.3607 116.4727 58.9404 28.6009 178.7993 143 K 4.1487 7.8142 118.4113 58.7531 32.3260 178.9796 144 V 4.2067 8.3298 110.2527 59.9966 33.1018 177.0974 145 G 4.0193 7.7142 105.9802 45.3071 0.0000 174.3568 146 L 3.9563 8.6332 122.6058 58.2237 42.1148 179.4785 147 E 3.9906 8.1256 117.8913 59.4993 29.4515 178.9068 148 N 4.3096 8.1641 116.0735 56.4471 38.4197 176.4933 149 Y 3.9520 7.9922 119.9779 60.7339 39.0903 178.0817 150 L 4.1100 8.2692 119.8858 57.5739 41.9450 178.7658 151 Q 3.9053 8.1697 119.7675 59.6320 28.7503 178.9697 152 S 4.2875 7.9422 112.9550 60.2434 62.9766 174.5215 153 H 4.6870 7.9271 118.8630 55.6440 29.5570 175.8248 154 M 4.1990 8.0369 120.8997 57.9000 31.8939 176.0590 155 H 5.0594 7.5934 113.8155 53.6562 30.9111 174.7789 156 E 4.1266 8.7146 121.2142 56.8521 29.2368 176.9520 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 3 G 8.35 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 4 D 8.41 4.22 0.00 2.86 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 5 K 9.41 3.95 0.00 1.84 1.77 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.51 7.81 6 K 8.08 4.01 0.00 1.95 1.54 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.49 7.81 7 V 8.31 3.59 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 1.11 0.00 0.00 1.00 0.00 0.00 8 I 7.54 3.43 2.01 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 1.52 0.66 0.90 0.00 0.00 9 Q 7.97 3.99 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 10 H 8.34 4.13 0.00 3.45 3.32 0.00 5.62 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 11 L 8.79 4.01 0.00 1.81 1.73 0.95 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.27 4.40 0.00 2.99 2.85 0.00 0.00 6.70 7.78 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 13 K 7.96 3.95 0.00 1.96 1.93 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.30 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 I 7.74 3.68 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.65 0.92 0.00 0.00 15 L 8.03 3.99 0.00 1.84 1.93 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.24 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 17 N 8.23 4.37 0.00 2.90 2.87 0.00 0.00 7.04 6.94 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 18 E 8.64 3.91 0.00 2.05 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 2.51 2.52 0.00 19 L 8.44 3.92 0.00 1.76 1.70 0.90 0.80 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 20 I 7.51 3.70 1.95 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 1.41 0.91 0.85 0.00 0.00 21 A 7.75 3.26 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 22 I 7.89 3.60 1.96 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 1.49 0.83 0.87 0.00 0.00 23 N 7.73 4.36 0.00 2.80 2.82 0.00 0.00 6.76 7.91 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 24 Q 8.21 3.88 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.76 2.36 0.00 25 Y 8.36 4.82 0.00 3.09 3.16 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 0.00 26 F 8.67 3.97 0.00 3.31 3.05 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 27 L 8.31 4.03 0.00 1.81 1.81 0.88 1.04 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 28 H 8.35 3.85 0.00 3.38 2.66 0.00 5.70 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.12 4.32 0.00 3.98 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 30 R 7.92 3.90 0.00 1.91 1.91 0.00 3.03 0.00 0.00 2.86 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 31 M 7.98 3.51 0.00 0.85 1.53 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.19 0.00 32 W 7.88 4.47 0.00 3.64 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 33 N 8.31 4.36 0.00 2.90 2.85 0.00 0.00 6.64 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 34 D 7.88 4.36 0.00 2.61 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 35 W 7.82 4.82 0.00 3.74 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 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 0.00 0.00 0.00 37 L 8.02 4.84 0.00 2.10 1.61 1.28 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.21 4.01 0.00 1.96 1.86 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 R 8.01 3.88 0.00 1.91 1.91 0.00 3.18 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 40 L 7.75 3.84 0.00 1.15 0.13 0.37 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.37 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 42 A 8.05 3.95 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.31 3.89 0.00 3.32 3.25 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.59 4.11 0.00 2.62 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 0.00 2.75 2.72 0.00 45 Y 7.78 3.99 0.00 2.85 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 46 H 8.27 4.13 0.00 3.30 3.23 0.00 5.87 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 47 E 8.07 3.89 0.00 2.12 1.81 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 2.32 2.13 0.00 48 S 7.91 4.27 0.00 4.16 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 49 I 7.63 3.59 1.88 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 1.08 0.56 0.85 0.00 0.00 50 D 8.06 4.23 0.00 2.83 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 51 E 7.99 4.33 0.00 2.04 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 0.00 2.68 2.56 0.00 52 M 8.17 4.02 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.56 0.00 53 K 7.90 4.05 0.00 1.89 1.83 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.60 7.81 54 H 8.19 4.24 0.00 3.54 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.08 4.00 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 56 D 8.09 4.30 0.00 2.93 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 57 K 7.92 4.05 0.00 1.91 1.85 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.70 7.81 58 L 7.99 4.00 0.00 1.88 1.75 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.86 3.74 2.03 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 1.53 0.85 0.92 0.00 0.00 60 E 8.16 4.00 0.00 2.18 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 2.32 0.00 61 R 8.24 4.06 0.00 2.11 2.16 0.00 3.34 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 62 I 7.86 3.75 2.03 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 1.54 0.81 0.94 0.00 0.00 63 L 8.31 4.10 0.00 1.86 1.78 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.59 4.40 0.00 3.07 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 65 L 7.69 3.94 0.00 1.80 1.62 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.55 3.72 0.00 1.97 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 2.18 2.17 0.00 67 G 7.73 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 0.00 0.00 0.00 68 L 8.08 4.64 0.00 1.59 1.57 0.91 0.97 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 69 P 0.00 4.41 0.00 2.04 1.99 0.00 3.65 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 2.08 0.00 70 N 9.23 4.66 0.00 2.60 2.82 0.00 0.00 7.13 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 71 L 8.15 4.59 0.00 1.62 1.63 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.15 4.12 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 73 D 8.03 4.75 0.00 2.68 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 74 L 8.38 4.64 0.00 1.50 1.49 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.36 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 76 K 8.45 4.17 0.00 1.70 1.75 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.51 7.81 77 L 8.38 4.08 0.00 1.63 1.56 0.97 0.98 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 78 L 8.51 4.50 0.00 1.80 1.66 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.76 4.00 1.87 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 1.32 0.71 0.88 0.00 0.00 80 G 8.75 4.05 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 0.00 81 E 8.52 4.76 0.00 2.16 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 0.00 2.54 2.24 0.00 82 N 7.71 5.16 0.00 2.87 2.90 0.00 0.00 6.24 7.22 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 83 T 8.81 4.43 4.45 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 1.49 0.00 0.00 84 Q 8.11 3.99 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 85 E 8.64 4.04 0.00 2.36 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 2.35 2.37 0.00 86 M 8.46 3.97 0.00 1.22 2.15 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.23 0.00 87 L 8.18 4.12 0.00 1.90 1.72 0.80 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.02 3.96 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.58 4.21 0.00 3.34 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 90 D 8.43 4.69 0.00 3.01 2.68 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 91 L 8.25 3.94 0.00 1.84 1.88 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.85 4.21 0.00 2.76 2.92 0.00 0.00 6.79 7.06 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 93 L 8.08 4.05 0.00 1.93 2.00 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.57 4.16 0.00 2.08 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 0.00 2.66 2.51 0.00 95 L 8.29 4.01 0.00 1.84 1.74 0.94 0.84 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 96 K 8.12 3.97 0.00 1.92 1.98 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 8.04 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 98 T 8.19 3.85 4.51 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 1.23 0.00 0.00 99 K 8.01 3.96 0.00 1.86 1.96 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 100 D 7.99 4.41 0.00 2.82 2.73 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 0.00 101 L 8.05 4.01 0.00 2.06 1.74 0.93 0.74 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 0.00 102 R 7.90 3.98 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 103 E 8.17 4.01 0.00 2.23 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 0.00 2.35 2.45 0.00 104 A 8.02 3.78 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 0.00 105 I 7.82 3.68 1.88 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 1.42 0.94 0.93 0.00 0.00 106 V 7.47 3.56 2.30 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 0.79 0.00 0.00 0.97 0.00 0.00 107 H 7.97 4.15 0.00 3.24 3.28 0.00 5.84 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 0.00 108 C 8.25 4.05 0.00 3.20 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 0.00 109 E 8.23 3.88 0.00 2.14 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 0.00 2.36 2.42 0.00 110 Q 7.61 3.96 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 111 V 7.39 3.93 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 0.60 0.00 0.00 0.89 0.00 0.00 112 H 7.07 2.92 0.00 3.15 3.14 0.00 5.66 0.00 0.00 0.00 0.00 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.49 4.53 0.00 2.62 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.40 4.30 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 0.00 115 V 7.85 3.65 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 1.10 0.00 0.00 1.00 0.00 0.00 116 S 8.26 4.21 0.00 4.19 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 0.00 117 R 7.85 3.93 0.00 2.00 2.12 0.00 3.30 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 118 D 8.29 4.39 0.00 3.12 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 0.00 119 L 7.85 3.94 0.00 1.92 1.80 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.98 4.05 0.00 1.91 1.71 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.54 4.03 0.00 1.71 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 122 D 8.29 4.55 0.00 2.89 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 0.00 123 I 7.85 3.48 1.95 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 1.25 0.85 0.73 0.00 0.00 124 L 8.17 3.93 0.00 1.81 1.92 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.25 3.92 0.00 2.11 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 2.33 2.35 0.00 126 S 8.11 4.15 0.00 4.03 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 0.00 127 E 8.54 4.16 0.00 2.07 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 0.00 2.67 2.54 0.00 128 E 8.57 4.01 0.00 2.17 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 2.36 2.53 0.00 129 E 8.29 4.07 0.00 2.26 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 0.00 2.38 2.37 0.00 130 H 8.38 4.38 0.00 3.29 3.48 0.00 5.61 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 0.00 131 I 8.15 3.70 2.11 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 1.44 0.67 0.93 0.00 0.00 132 D 8.59 4.33 0.00 2.88 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 0.00 133 Y 8.28 4.18 0.00 3.13 3.26 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 0.00 134 L 8.19 3.67 0.00 1.92 1.64 1.05 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.45 3.91 0.00 1.95 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 0.00 2.31 2.52 0.00 136 T 7.82 3.79 4.31 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 1.19 0.00 0.00 137 Q 7.68 3.83 0.00 1.85 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 1.16 2.07 0.00 138 L 7.83 3.87 0.00 1.88 1.62 0.82 0.84 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 0.00 139 G 8.03 3.61 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 0.00 0.00 0.00 140 L 7.98 4.13 0.00 1.90 1.88 1.02 0.79 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 0.00 141 I 7.34 3.59 1.83 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.29 0.79 0.00 0.00 142 Q 7.36 3.97 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 143 K 7.81 4.15 0.00 1.75 1.87 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.59 7.81 144 V 8.33 4.21 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 0.82 0.00 0.00 1.08 0.00 0.00 145 G 7.71 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 0.00 146 L 8.63 3.96 0.00 1.76 1.68 0.95 0.93 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 0.00 147 E 8.13 3.99 0.00 2.06 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 2.40 2.40 0.00 148 N 8.16 4.31 0.00 2.95 2.89 0.00 0.00 6.74 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.99 3.95 0.00 3.06 3.20 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 0.00 150 L 8.27 4.11 0.00 1.76 1.72 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.17 3.91 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 152 S 7.94 4.29 0.00 3.75 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 0.00 153 H 7.93 4.69 0.00 2.92 3.05 0.00 5.81 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 8.04 4.20 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 155 H 7.59 5.06 0.00 3.08 3.14 0.00 5.73 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 0.00 156 E 8.71 4.13 0.00 1.94 1.86 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 2.30 2.30 0.00