NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4135 8.3044 120.3263 55.1672 33.3856 174.3407 1 V 4.2012 8.0201 120.5678 60.5077 33.8898 173.8622 2 L 4.1999 8.3184 127.7856 54.2721 43.3551 176.9920 3 S 4.6034 8.4818 117.4856 57.3867 65.6929 175.0859 4 E 4.2642 8.7565 121.6933 59.3551 29.2916 178.7584 5 G 3.6229 8.0678 105.4102 47.7505 0.0000 175.4505 6 E 3.8504 7.7490 119.7154 59.0071 29.4767 179.2527 7 W 4.5043 8.0143 118.9478 60.2383 29.0729 178.6407 8 Q 4.1310 8.4434 117.9196 58.9529 28.0259 178.7471 9 L 4.0728 8.0277 120.1406 57.5833 41.5315 179.7668 10 V 3.7073 7.9264 118.2584 66.2535 31.6144 178.2027 11 L 4.2297 8.3955 118.5024 57.4942 40.9593 179.0218 12 H 4.2230 8.5803 119.1017 59.2820 29.9996 177.7318 13 V 3.4304 7.8352 120.9025 64.5144 31.3012 178.1375 14 W 4.0545 8.7628 128.9189 59.9639 30.2433 177.8194 15 A 4.0242 7.8205 120.4202 54.8419 18.0408 179.5113 16 K 3.9415 7.4445 116.8525 59.5144 32.1168 179.4626 17 V 2.8608 7.0611 118.0019 66.0014 30.9840 177.5541 18 E 3.8849 7.4535 115.4114 57.8588 29.3925 178.4821 19 A 4.2005 7.5592 120.6847 53.7850 20.0462 177.5943 20 D 4.6492 7.8438 116.8235 52.0365 42.4527 175.5483 21 V 3.4364 7.8947 122.9774 65.4388 32.0792 176.7961 22 A 4.0428 7.9558 120.1838 55.0966 18.4399 179.6568 23 G 3.9059 8.0878 105.0564 47.8407 0.0000 175.5163 24 H 4.1841 8.3195 119.0252 58.3571 28.6896 178.1281 25 G 3.5948 8.2258 107.6947 47.6836 0.0000 175.4992 26 Q 3.8151 7.9574 121.8557 59.1004 29.0551 177.9898 27 D 4.2760 7.8224 119.5497 57.4936 40.7656 179.0892 28 I 3.6507 7.7581 120.0984 64.4103 37.0687 178.5930 29 L 3.4952 7.6701 119.7992 57.4100 41.3363 179.6963 30 I 3.6189 7.7613 120.1079 64.1291 37.0364 178.1028 31 R 3.7910 8.0594 119.9795 59.4928 29.7655 178.2456 32 L 3.8851 7.8228 119.8411 58.3110 41.9330 179.0170 33 F 4.5388 7.9323 117.7994 60.3672 38.5060 177.9728 34 K 4.0191 7.9836 117.6956 59.5966 32.0185 179.3450 35 S 4.2712 7.8315 114.2280 60.3899 64.1628 174.5725 36 H 4.7620 8.1792 118.2531 51.9425 29.5086 171.7786 37 P 4.4971 0.0000 0.0000 64.5660 31.3275 177.5138 38 E 4.0776 8.2475 116.3904 59.7004 29.3229 179.2270 39 T 3.8881 8.2242 110.8687 64.3569 68.8064 176.2808 40 L 3.6012 7.9449 122.8651 57.9781 41.7388 178.7367 41 E 4.0928 7.8842 117.8138 59.0146 29.4519 178.6896 42 K 4.4911 8.0521 116.4857 56.5269 32.9143 177.0477 43 F 4.5700 8.0027 119.5095 55.4489 38.4436 175.9612 44 D 4.3606 8.4911 126.4561 57.0296 40.9514 178.5612 45 R 3.8224 7.7937 118.2279 58.2929 30.2073 176.6278 46 F 5.0744 7.9159 113.6976 56.3082 40.7435 176.4828 47 K 3.7871 8.3949 122.0621 59.6818 31.8643 176.8634 48 H 4.5031 8.1452 112.2422 56.9647 29.1903 175.5129 49 L 4.1613 7.7000 121.5437 54.6982 41.7930 176.7663 50 K 4.3514 9.2537 123.3994 57.3868 33.7115 176.9889 51 T 4.7354 7.2764 107.3112 58.8178 73.3331 174.1859 52 E 3.9037 8.6852 121.1028 59.4221 29.5611 178.7409 53 A 4.0828 7.9033 120.4227 54.9834 18.2603 179.3519 54 E 3.8798 7.5687 115.5017 59.6836 29.8454 178.8990 55 M 4.1080 7.8574 118.6572 58.6561 31.8831 178.9474 56 K 3.8771 8.2667 116.9312 59.1578 32.3314 178.4058 57 A 4.4928 7.6039 118.1413 51.4812 19.3052 177.0287 58 S 4.3067 7.5243 114.0060 57.3090 62.6851 174.4576 59 E 4.0579 8.7916 129.2917 59.2071 29.4736 178.1477 60 D 4.5175 8.1769 118.7852 57.0293 40.9125 178.2773 61 L 3.4911 7.5310 120.6705 57.7065 42.1216 178.8291 62 K 3.8929 7.8384 119.1683 59.3478 32.2467 178.9001 63 K 3.9887 8.1802 118.7711 59.8934 31.9482 178.8653 64 H 4.4423 8.5313 118.6088 59.1628 29.7550 177.5457 65 G 3.5324 8.3095 107.8070 47.5010 0.0000 175.9549 66 V 3.5989 7.6828 120.0318 66.1786 31.6332 178.1919 67 T 3.8829 7.7913 115.1373 66.6128 68.3184 176.7326 68 V 3.5883 7.9914 120.1851 66.2362 31.6136 178.2247 69 L 4.2929 8.1580 118.5960 57.9011 41.5159 179.6795 70 T 3.9955 8.3904 116.1699 66.5018 68.2796 176.6062 71 A 4.0311 8.0641 122.7133 54.9463 18.4065 179.4675 72 L 3.7424 8.1325 119.0236 58.2144 42.2007 179.3302 73 G 3.4902 8.6300 105.8729 47.8426 0.0000 175.4683 74 A 4.0393 7.7253 121.8390 54.8010 18.6794 179.6053 75 I 3.7850 7.4611 118.1410 64.5892 37.2159 178.6901 76 L 3.9463 7.7034 119.8153 57.5812 41.1727 179.5005 77 K 3.9858 7.6883 116.8724 58.2401 32.2766 178.5772 78 K 3.9833 7.7774 118.1672 55.8371 32.7300 176.4826 79 K 2.0000 8.2149 118.5873 56.4596 29.8659 175.2474 80 G 3.9758 7.9011 105.7467 45.8218 0.0000 173.8134 81 H 4.7174 7.3008 119.1078 55.4411 27.5884 174.9210 82 H 5.2335 7.2740 110.5601 54.4015 29.3733 176.3012 83 E 3.9763 8.5549 121.6131 60.3537 28.9791 179.0259 84 A 4.0799 7.8927 118.5577 55.2680 18.6074 179.1138 85 E 4.0875 8.1424 116.6594 59.2973 29.6026 179.0708 86 L 4.0907 8.2207 120.5152 57.5288 42.0646 179.2157 87 K 3.9759 7.7610 117.8574 58.9545 32.2314 177.6002 88 P 4.3624 0.0000 0.0000 65.3744 31.2425 178.1777 89 L 4.0591 7.4703 120.3404 57.9800 41.9680 178.5664 90 A 4.1307 8.1729 120.8531 55.1922 18.2505 179.4597 91 Q 3.8042 8.1100 118.3080 59.2765 29.1351 178.5715 92 S 4.0145 7.9925 115.0938 61.9151 63.0429 176.2185 93 H 4.2405 8.6339 119.6833 58.0218 28.1889 177.5546 94 A 2.8105 7.8141 122.1582 54.0266 18.4867 178.8330 95 T 4.2267 7.5950 112.4712 65.0730 69.5532 176.4482 96 K 4.0315 7.6324 119.9894 59.3717 32.5514 177.3827 97 H 4.4278 8.1356 114.0139 55.7561 29.4109 175.2621 98 K 3.9939 7.8040 116.8789 57.3386 28.6731 176.1178 99 I 4.1814 8.2933 120.0993 59.0883 38.2481 175.0789 100 P 4.6779 0.0000 0.0000 62.4748 32.0707 177.2833 101 I 3.5721 8.4707 121.2683 64.6421 36.8138 178.2837 102 K 3.6448 8.1146 119.7866 59.9683 31.8534 177.8617 103 Y 4.0724 8.1100 116.2361 60.1460 37.8491 177.9169 104 F 4.2149 8.3614 119.4832 60.1921 38.9809 177.5273 105 E 4.0855 8.0020 118.7536 59.3048 29.2723 179.1732 106 F 4.4800 7.8727 117.4098 60.8689 39.0526 177.4610 107 I 3.8753 7.9692 117.8555 63.8480 37.7470 178.1139 108 S 4.2433 8.1130 116.3400 61.4654 62.6539 176.0541 109 E 4.0038 8.4797 121.8328 59.3436 29.4183 178.8111 110 A 4.0337 7.9078 120.3274 55.1056 18.3565 179.7022 111 I 3.7066 7.9752 118.3450 64.7156 37.2198 178.7927 112 I 3.8186 7.8491 120.6153 64.4386 36.9226 177.9610 113 H 4.1164 8.4414 119.1909 59.3558 29.6599 177.5686 114 V 3.5686 7.8890 119.9206 65.9775 31.3506 177.9469 115 L 3.7807 7.9303 118.9080 57.9037 41.0627 178.9413 116 H 4.3384 7.8923 117.2464 59.4739 29.8712 177.2529 117 S 4.1613 7.8618 116.0011 61.2029 62.7807 176.1240 118 R 4.2280 7.9597 118.8208 56.6429 31.4054 176.1947 119 H 5.0539 8.3931 116.5558 54.2667 29.5142 173.4430 120 P 4.3760 0.0000 0.0000 65.6336 31.8051 179.0322 121 G 3.6551 8.1315 106.7005 47.3893 0.0000 173.6807 122 N 4.9736 8.1660 115.2055 53.0322 39.7511 174.5876 123 F 4.9328 7.7537 119.2147 56.3976 39.4976 174.1417 124 G 3.9111 7.5871 109.4876 43.7607 0.0000 171.6266 125 A 3.9003 8.4439 120.7516 55.5466 18.2673 179.6739 126 D 4.2189 7.9855 116.4313 57.4761 40.9336 178.8121 127 A 3.9403 7.7556 120.7895 55.0410 18.3521 179.3257 128 Q 3.1703 7.8093 118.4118 58.7471 28.9174 178.6252 129 G 3.4780 8.0480 106.7585 47.5357 0.0000 175.5968 130 A 3.8287 7.8454 123.3016 55.1248 18.3566 179.4637 131 M 4.0204 8.1479 116.7894 58.7006 32.2404 177.9533 132 N 4.3337 8.5868 117.7736 56.4513 39.0246 176.9302 133 K 3.8400 8.2421 119.9251 59.4805 32.1507 179.0792 134 A 3.8471 7.8826 120.8298 55.1866 18.2142 179.7298 135 L 4.1293 8.2264 117.5953 57.7686 41.6317 179.4691 136 E 3.9835 8.5864 119.0965 59.1738 29.3818 178.8822 137 L 3.9315 8.2233 120.7296 58.2370 42.0481 178.5431 138 F 4.0786 8.2159 120.3033 61.7413 39.1996 177.3578 139 R 3.3409 8.3843 117.7302 58.9152 29.8853 179.0756 140 K 3.8186 8.2768 119.8016 59.5180 32.2154 178.7192 141 D 4.3116 7.9874 119.2973 57.2238 40.6309 178.8071 142 I 3.3924 7.5024 120.4272 64.0266 36.9399 178.3065 143 A 3.6049 7.8417 121.6566 54.9640 18.2830 179.5866 144 A 3.9883 7.8552 119.1518 55.0090 18.3451 180.0933 145 K 3.9814 7.8979 117.2529 59.6871 32.1273 178.9808 146 Y 4.0716 8.3091 117.3081 61.0395 37.8853 178.8119 147 K 4.0027 8.1260 120.2451 59.6898 32.1338 178.5693 148 E 4.0051 7.8509 117.1108 59.4356 29.4913 178.8887 149 L 4.2843 7.8751 116.9953 55.2404 41.9518 177.8028 150 G 4.0442 7.6860 106.4379 45.4021 0.0000 173.2831 151 Y 3.9886 7.4269 118.4711 55.1170 40.3844 175.3699 152 Q 3.2153 9.1460 121.9896 60.4230 26.6718 174.5538 153 G 3.9193 9.4531 110.1969 45.5795 0.0000 172.6796 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 0 M 8.30 4.41 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 1 V 8.02 4.20 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 0.86 0.00 0.00 0.95 0.00 0.00 2 L 8.32 4.20 0.00 1.00 0.68 0.59 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.48 4.60 0.00 4.07 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 4 E 8.76 4.26 0.00 2.19 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 2.43 2.52 0.00 5 G 8.07 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 6 E 7.75 3.85 0.00 1.99 1.70 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 2.21 2.25 0.00 7 W 8.01 4.50 0.00 3.56 3.19 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 8 Q 8.44 4.13 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.67 0.00 9 L 8.03 4.07 0.00 1.87 1.74 0.89 0.83 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 10 V 7.93 3.71 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 1.26 0.00 0.00 0.94 0.00 0.00 11 L 8.40 4.23 0.00 1.86 1.81 0.93 0.87 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 12 H 8.58 4.22 0.00 3.39 3.57 0.00 5.78 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 13 V 7.84 3.43 2.31 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 1.04 0.00 0.00 0.94 0.00 0.00 14 W 8.76 4.05 0.00 3.59 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 15 A 7.82 4.02 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 16 K 7.44 3.94 0.00 1.41 1.72 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.71 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.47 7.81 17 V 7.06 2.86 1.16 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 -0.12 0.00 0.00 0.51 0.00 0.00 18 E 7.45 3.88 0.00 2.00 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 0.00 2.15 2.00 0.00 19 A 7.56 4.20 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 20 D 7.84 4.65 0.00 2.69 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 21 V 7.89 3.44 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 0.96 0.00 0.00 0.83 0.00 0.00 22 A 7.96 4.04 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 23 G 8.09 3.91 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 0.00 0.00 0.00 24 H 8.32 4.18 0.00 3.10 3.23 0.00 5.82 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 25 G 8.23 3.59 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 0.00 0.00 0.00 26 Q 7.96 3.82 0.00 2.29 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 27 D 7.82 4.28 0.00 2.82 2.63 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 28 I 7.76 3.65 1.89 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 1.51 0.66 0.88 0.00 0.00 29 L 7.67 3.50 0.00 1.39 1.01 0.79 0.62 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 30 I 7.76 3.62 1.88 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 1.38 0.81 0.87 0.00 0.00 31 R 8.06 3.79 0.00 1.94 2.07 0.00 3.00 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 32 L 7.82 3.89 0.00 1.65 1.40 1.02 0.99 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 33 F 7.93 4.54 0.00 2.99 2.88 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 34 K 7.98 4.02 0.00 1.77 1.82 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.60 7.81 35 S 7.83 4.27 0.00 3.77 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 36 H 8.18 4.76 0.00 2.91 2.75 0.00 5.64 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 37 P 0.00 4.50 0.00 2.14 2.11 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 38 E 8.25 4.08 0.00 2.28 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 2.22 2.44 0.00 39 T 8.22 3.89 4.42 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 0.87 0.00 0.00 40 L 7.94 3.60 0.00 1.48 1.77 0.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.88 4.09 0.00 2.32 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 0.00 2.39 2.39 0.00 42 K 8.05 4.49 0.00 1.90 1.75 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.71 1.87 7.81 43 F 8.00 4.57 0.00 3.24 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 44 D 8.49 4.36 0.00 2.61 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 45 R 7.79 3.82 0.00 1.26 0.66 0.00 3.06 0.00 0.00 2.96 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.45 0.00 46 F 7.92 5.07 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 47 K 8.39 3.79 0.00 1.92 1.92 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.49 7.81 48 H 8.15 4.50 0.00 3.32 3.41 0.00 5.58 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 49 L 7.70 4.16 0.00 1.52 1.55 0.81 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.25 4.35 0.00 1.80 1.83 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.52 7.81 51 T 7.28 4.74 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 1.20 0.00 0.00 52 E 8.69 3.90 0.00 2.03 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 0.00 2.35 2.35 0.00 53 A 7.90 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 54 E 7.57 3.88 0.00 2.13 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 2.33 2.33 0.00 55 M 7.86 4.11 0.00 2.05 2.30 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.55 0.00 56 K 8.27 3.88 0.00 1.91 1.85 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.42 7.81 57 A 7.60 4.49 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.52 4.31 0.00 4.00 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 59 E 8.79 4.06 0.00 2.14 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 2.39 2.47 0.00 60 D 8.18 4.52 0.00 3.01 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 61 L 7.53 3.49 0.00 1.38 1.58 -0.22 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.84 3.89 0.00 1.83 1.94 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.18 3.99 0.00 2.11 1.91 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.74 7.81 64 H 8.53 4.44 0.00 3.56 3.59 0.00 5.78 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 65 G 8.31 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 66 V 7.68 3.60 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 1.13 0.00 0.00 0.97 0.00 0.00 67 T 7.79 3.88 4.43 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 1.28 0.00 0.00 68 V 7.99 3.59 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 1.10 0.00 0.00 0.95 0.00 0.00 69 L 8.16 4.29 0.00 1.85 1.81 0.88 0.83 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 70 T 8.39 4.00 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 71 A 8.06 4.03 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 72 L 8.13 3.74 0.00 1.72 1.83 0.30 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.63 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 0.00 0.00 0.00 74 A 7.73 4.04 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 75 I 7.46 3.79 1.81 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.96 0.88 0.00 0.00 76 L 7.70 3.95 0.00 1.22 1.54 -0.31 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.69 3.99 0.00 1.66 1.80 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.46 1.51 7.81 78 K 7.78 3.98 0.00 1.85 1.84 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.62 1.65 7.81 79 K 8.21 2.00 0.00 1.25 0.74 0.00 1.44 0.00 0.00 1.43 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.77 7.81 80 G 7.90 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 81 H 7.30 4.72 0.00 3.20 3.23 0.00 5.80 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 82 H 7.27 5.23 0.00 3.28 3.44 0.00 5.66 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.55 3.98 0.00 2.09 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 2.42 2.47 0.00 84 A 7.89 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 85 E 8.14 4.09 0.00 2.23 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 2.41 2.44 0.00 86 L 8.22 4.09 0.00 2.00 1.65 0.95 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.76 3.98 0.00 1.90 1.85 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.45 7.81 88 P 0.00 4.36 0.00 2.30 2.33 0.00 3.94 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 2.11 2.05 0.00 89 L 7.47 4.06 0.00 1.90 1.95 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.17 4.13 1.41 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 0.00 0.00 91 Q 8.11 3.80 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 92 S 7.99 4.01 0.00 4.06 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 93 H 8.63 4.24 0.00 3.67 3.77 0.00 5.80 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 94 A 7.81 2.81 0.20 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 0.00 0.00 95 T 7.60 4.23 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 1.18 0.00 0.00 96 K 7.63 4.03 0.00 1.59 1.63 0.00 1.72 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.38 7.81 97 H 8.14 4.43 0.00 3.03 3.16 0.00 5.84 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.80 3.99 0.00 1.93 2.01 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.63 7.81 99 I 8.29 4.18 2.02 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.78 0.84 0.00 0.00 100 P 0.00 4.68 0.00 1.98 2.19 0.00 3.23 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 0.51 1.38 0.00 101 I 8.47 3.57 1.81 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.54 0.79 0.00 0.00 102 K 8.11 3.64 0.00 1.78 1.72 0.00 1.36 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.00 7.81 103 Y 8.11 4.07 0.00 2.97 2.86 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 0.00 104 F 8.36 4.21 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 0.00 105 E 8.00 4.09 0.00 2.01 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 2.36 2.35 0.00 106 F 7.87 4.48 0.00 3.09 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 0.00 107 I 7.97 3.88 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.36 1.06 0.00 0.00 108 S 8.11 4.24 0.00 4.26 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 0.00 109 E 8.48 4.00 0.00 2.31 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 0.00 2.38 2.42 0.00 110 A 7.91 4.03 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 0.00 111 I 7.98 3.71 2.09 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 1.64 0.63 1.04 0.00 0.00 112 I 7.85 3.82 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.80 1.12 0.00 0.00 113 H 8.44 4.12 0.00 3.35 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.89 3.57 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 1.00 0.00 0.00 0.98 0.00 0.00 115 L 7.93 3.78 0.00 0.52 0.69 0.81 0.87 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 H 7.89 4.34 0.00 3.45 3.63 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.86 4.16 0.00 3.90 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 0.00 118 R 7.96 4.23 0.00 1.49 1.64 0.00 3.10 0.00 0.00 2.97 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 119 H 8.39 5.05 0.00 3.16 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.38 0.00 2.21 2.25 0.00 3.67 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 2.06 1.92 0.00 121 G 8.13 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.17 4.97 0.00 2.82 2.95 0.00 0.00 6.66 7.51 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 0.00 123 F 7.75 4.93 0.00 2.98 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 0.00 124 G 7.59 3.91 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 0.00 0.00 0.00 125 A 8.44 3.90 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 0.00 126 D 7.99 4.22 0.00 2.65 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 0.00 127 A 7.76 3.94 1.26 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 0.00 0.00 128 Q 7.81 3.17 0.00 1.41 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 129 G 8.05 3.48 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 0.00 0.00 0.00 130 A 7.85 3.83 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 0.00 131 M 8.15 4.02 0.00 2.38 2.35 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.91 0.00 132 N 8.59 4.33 0.00 2.90 2.96 0.00 0.00 7.19 6.32 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 0.00 133 K 8.24 3.84 0.00 1.96 1.63 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.38 7.81 134 A 7.88 3.85 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 0.00 135 L 8.23 4.13 0.00 1.90 1.84 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.59 3.98 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 2.35 2.48 0.00 137 L 8.22 3.93 0.00 1.84 1.97 1.02 1.12 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 0.00 138 F 8.22 4.08 0.00 3.20 3.19 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 0.00 139 R 8.38 3.34 0.00 1.79 1.81 0.00 3.23 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.97 0.00 140 K 8.28 3.82 0.00 1.74 1.87 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.43 7.81 141 D 7.99 4.31 0.00 2.77 2.63 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 0.00 142 I 7.50 3.39 0.97 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.36 -0.19 0.00 0.00 143 A 7.84 3.60 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 0.00 144 A 7.86 3.99 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 0.00 145 K 7.90 3.98 0.00 2.06 1.89 0.00 1.56 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.51 7.81 146 Y 8.31 4.07 0.00 3.10 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 0.00 147 K 8.13 4.00 0.00 1.86 1.83 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.65 7.81 148 E 7.85 4.01 0.00 2.20 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 2.35 2.51 0.00 149 L 7.88 4.28 0.00 1.74 1.66 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.69 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 0.00 0.00 0.00 151 Y 7.43 3.99 0.00 2.74 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 0.00 152 Q 9.15 3.22 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.40 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 153 G 9.45 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