NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3726 8.2893 120.3493 55.4798 32.0969 173.8601 2 N 4.4752 8.0484 120.8057 50.4367 37.9918 171.5245 3 E 3.9819 9.3513 125.3713 56.8390 29.2628 178.3830 4 L 4.4070 8.1504 124.6121 53.4059 40.6553 176.0338 5 E 4.5278 8.0320 123.3250 53.5753 32.1011 175.7963 6 G 3.7828 8.1377 112.4610 45.1969 0.0000 172.2533 7 Y 4.7462 8.9878 117.5106 56.0839 40.0571 176.8630 8 V 4.0712 8.5774 123.8780 63.4919 32.5276 177.5587 9 T 4.2216 8.1649 117.2713 66.0724 68.8055 174.9166 10 K 4.4089 7.9620 119.9760 56.6640 32.7223 177.4023 11 A 4.2940 8.2542 123.6560 53.6231 19.1523 182.1309 12 Q 3.4417 7.7896 111.9284 57.9348 31.6070 180.1703 13 S 4.1171 8.0085 110.8059 59.9544 63.1785 174.3004 14 F 4.2763 8.5807 119.7840 56.4566 39.9109 174.5516 15 R 4.5620 8.3841 121.9039 54.7179 32.0778 174.4040 16 F 5.6678 8.7346 123.1384 55.7794 43.8750 173.5970 17 A 4.7336 8.5409 120.6892 50.5180 22.4953 175.2050 18 I 4.8271 8.7914 122.9544 59.4553 40.3686 174.9871 19 V 4.5937 8.6282 125.5107 61.1872 34.3938 174.6064 20 V 5.3138 8.8324 120.6250 58.3495 35.2982 174.6593 21 A 5.6704 8.4521 125.5958 50.6058 19.6225 177.8302 22 R 4.2571 9.0522 121.5816 58.8533 30.7116 176.6979 23 F 4.1014 8.2524 119.8658 59.8023 39.8263 174.1948 24 N 4.3338 8.4227 123.3304 54.4637 36.2945 176.0587 25 E 4.5098 8.0897 121.8447 59.3719 29.3992 177.7041 26 F 3.9928 8.3491 118.7082 60.9910 39.4478 176.4362 27 V 4.1131 8.4344 117.1968 65.0941 32.0379 177.5690 28 T 3.8568 8.0091 109.0727 65.1035 68.2651 175.3622 29 R 4.0434 8.5600 121.9572 59.3452 29.9447 178.2003 30 R 3.8131 7.9605 116.8056 59.3068 30.1471 178.1800 31 L 3.8513 8.3214 120.1318 58.6379 41.9354 178.6884 32 M 3.8569 8.5950 117.8148 58.8483 32.1785 177.6589 33 E 4.0625 8.6776 119.1435 59.6340 29.5504 179.9434 34 G 3.4698 8.3354 105.4101 47.6884 0.0000 175.3311 35 A 3.6646 7.7978 124.0565 54.9024 18.4792 178.8208 36 L 4.0688 8.2697 118.6971 58.5999 41.9785 178.3045 37 D 4.4084 8.6362 117.6855 58.0989 41.1469 178.8594 38 T 3.8755 7.9950 115.9712 66.9508 68.2172 176.0143 39 F 4.3079 7.6451 117.8668 60.8035 39.2724 177.4606 40 K 4.1775 8.1811 117.1494 59.6914 31.7653 179.1000 41 K 3.8491 8.5645 118.5958 59.2215 32.6084 176.8654 42 Y 4.3065 8.7060 117.6894 58.4121 38.5397 176.1173 43 S 3.7516 8.1797 111.2363 58.8248 63.4814 172.8345 44 V 3.9743 7.7925 120.2572 62.0914 31.7232 175.7937 45 N 4.7113 8.2986 120.5549 53.7251 40.5191 174.1147 46 E 4.4988 9.0334 126.3586 56.4927 30.7089 174.5827 47 D 4.2908 8.8513 113.9553 59.6592 40.1269 173.9124 48 I 3.5743 6.5046 109.3772 58.4956 39.4260 174.5247 49 D 4.6516 8.7654 124.5224 54.0338 42.2374 175.4160 50 V 4.6458 8.3615 116.3270 59.5535 34.0178 175.0300 51 V 4.3018 8.8751 126.6591 60.9383 33.3925 174.3629 52 W 5.2654 8.8828 128.0585 55.8678 30.3406 176.1641 53 V 4.7185 9.1477 117.9545 58.8861 34.9308 174.8735 54 P 4.3544 0.0000 0.0000 65.5255 32.0055 176.3921 55 G 4.5488 8.2008 108.5913 42.3733 0.0000 173.1140 56 A 3.9282 8.6564 122.7283 55.3985 18.5637 179.4298 57 Y 3.9355 8.3359 116.0196 61.1930 38.7985 178.1674 58 E 4.1515 8.7240 119.3039 59.4227 29.5172 179.3432 59 L 3.9838 7.8228 119.1901 58.7839 41.7254 179.1053 60 G 3.6593 7.8400 100.6696 49.3382 0.0000 175.6161 61 V 3.6665 7.7413 112.0304 63.8884 32.1718 178.5627 62 T 3.8354 7.7961 114.6417 66.6796 68.3082 176.2453 63 A 3.8974 8.5941 122.6218 55.6663 18.4128 179.4801 64 Q 3.7866 8.4311 118.1785 59.8935 29.2427 178.8282 65 A 4.0251 8.7841 122.3079 54.5719 18.0958 179.1148 66 L 4.1299 8.2250 117.7662 57.8667 42.3342 180.2310 67 G 3.8145 8.8389 105.5124 47.9830 0.0000 176.0529 68 K 4.1850 8.1292 120.2714 58.2291 32.3676 178.9787 69 S 4.3512 8.4162 114.3088 58.6920 62.6699 175.1805 70 G 3.9370 7.9379 109.5257 46.2962 0.0000 174.7507 71 K 3.7983 7.8126 119.4057 58.0847 32.2127 176.8563 72 Y 4.7881 7.4302 114.1691 56.5480 40.4834 174.8800 73 H 4.8301 9.1372 118.2748 57.5090 30.0632 175.8163 74 A 4.9749 7.8908 118.2489 50.6845 22.7364 175.1079 75 I 4.8827 8.8560 115.5952 58.9287 40.7421 174.6504 76 V 4.6331 8.8585 125.7435 60.1227 33.8198 174.1328 77 C 5.0892 9.1639 122.9364 57.8786 30.6459 172.8171 78 L 5.5056 8.0963 123.4393 52.1245 44.9803 175.7779 79 G 4.3146 8.0704 107.2382 46.3387 0.0000 171.9825 80 A 5.2695 8.5580 121.5136 50.5958 22.1063 176.2690 81 V 4.2740 9.2071 123.3498 59.9424 33.5381 175.2159 82 V 4.2719 8.4528 119.5218 60.5931 32.5996 177.7174 83 K 3.5579 8.4876 127.3109 56.7365 29.0648 176.9731 84 G 3.7763 8.5387 113.1822 47.3056 0.0000 171.5671 85 D 4.6164 7.7063 117.4234 54.6492 43.9436 177.6368 86 T 4.2749 8.3885 114.1175 61.2801 70.7679 176.0827 87 S 4.8914 8.5453 117.0255 60.1110 62.6006 175.2529 88 H 3.8833 7.9286 122.5100 60.0868 29.4337 175.3440 89 Y 4.1718 8.2266 120.5586 61.4100 38.5873 177.6940 90 D 4.1944 8.5106 118.2043 58.0940 41.0378 178.6828 91 A 3.8452 8.2892 119.9396 55.8960 18.3207 179.4582 92 V 3.6134 8.4060 115.5681 66.0105 31.6409 178.3511 93 V 3.5274 8.0656 117.9487 66.4660 31.1937 177.7260 94 N 4.2415 8.8363 116.3510 56.3060 38.3396 177.1972 95 S 3.9406 8.2076 116.0634 62.2021 63.0222 176.3687 96 A 3.9359 8.6926 123.8073 55.3867 17.9526 179.1096 97 S 4.2374 8.8116 110.2547 61.7813 62.5307 176.5993 98 S 4.1076 8.8805 115.9990 61.6368 62.0648 176.2051 99 G 3.6372 8.5463 108.4849 48.1761 0.0000 175.3354 100 V 3.6141 7.9491 121.0873 65.8629 31.4695 177.4067 101 L 3.9394 8.2088 119.9518 57.6691 41.8498 178.7467 102 S 4.0826 8.8071 114.7953 62.0265 63.0602 176.5338 103 A 4.0622 8.7012 123.2749 55.3704 18.0572 179.5028 104 G 4.3094 8.3166 103.0725 47.8375 0.0000 175.4845 105 L 4.0333 7.8035 120.0877 57.5905 41.8059 179.0738 106 N 4.5087 8.5480 115.5179 56.4094 38.6213 177.3919 107 S 4.3843 8.7060 114.5521 58.9772 63.3680 175.3957 108 G 3.9758 7.9870 109.3055 45.6720 0.0000 172.8569 109 V 4.5426 7.8030 120.1780 59.8742 34.2934 173.2293 110 P 4.5576 0.0000 0.0000 63.1768 32.3171 174.7844 111 C 5.2254 8.5874 122.2851 57.8153 30.6920 173.7887 112 V 3.7512 8.8739 125.8535 62.5083 32.3293 175.4089 113 F 4.4819 8.9795 131.6266 56.3868 37.8329 175.5278 114 G 4.1809 8.6925 118.3515 44.1286 0.0000 170.7342 115 V 4.7938 6.3638 116.9838 59.5838 34.3844 177.3027 116 L 4.4258 8.9464 125.8140 54.1703 42.9305 177.1516 117 T 5.2965 7.9162 111.9987 60.3510 68.1796 173.0640 118 C 4.2934 8.1572 119.3466 60.3729 30.2934 174.6123 119 D 4.5166 8.9938 120.1209 56.0329 39.5612 176.7303 120 N 4.7178 9.5703 116.3990 51.9314 39.4185 175.8052 121 M 3.9746 8.8424 119.8280 59.2185 32.1505 177.8282 122 D 4.3650 8.2281 117.2634 57.7650 41.0174 178.1138 123 Q 3.9889 8.6389 116.9364 59.0270 29.0441 178.6846 124 A 4.1618 7.7080 120.3827 55.5388 18.3734 179.4486 125 I 3.7846 8.0749 118.2908 65.1756 37.2016 178.2823 126 N 4.4107 8.1674 116.8089 56.1331 38.4017 177.4899 127 R 4.0518 8.6362 119.2134 57.4889 30.8905 176.8143 128 A 4.4628 7.5422 123.7933 51.4732 18.3232 177.4956 129 G 3.9255 8.9177 106.1717 45.8071 0.0000 173.9563 130 G 4.2214 7.8155 111.0602 44.0473 0.0000 175.4051 131 K 4.1696 8.2928 120.0869 58.1548 32.5639 177.2303 132 A 4.4693 7.9812 121.5210 51.8014 20.0556 178.5536 133 G 3.7220 8.7501 105.2766 45.3496 0.0000 172.8666 134 N 5.8337 8.0533 119.0985 49.9815 41.4255 175.5594 135 K 4.1411 8.1683 131.2319 58.9109 32.3139 177.9957 136 G 3.7251 8.2199 104.9918 48.0653 0.0000 174.8331 137 A 3.7734 8.4218 123.6154 54.6032 17.9766 179.2270 138 E 3.7324 8.0258 116.7688 59.8712 29.0577 179.8506 139 S 3.9941 8.5111 114.8118 61.5493 62.8283 176.5013 140 A 3.3821 7.5965 123.0723 54.8904 17.9475 179.0460 141 L 3.3486 7.4699 118.4867 58.6820 42.0224 179.4742 142 T 3.6847 8.0170 115.3637 66.3971 68.2782 176.1187 143 A 3.8961 8.0747 122.9975 55.8626 18.2447 179.1071 144 I 3.6289 7.5665 117.7131 64.6970 37.1482 177.7391 145 E 3.8323 8.3991 119.3561 59.9501 29.4421 179.4333 146 M 3.8357 8.4179 118.3047 58.3843 31.7975 178.1366 147 A 3.8537 7.8703 119.6466 55.3482 18.7606 178.9173 148 S 4.2363 7.9415 110.9382 61.6349 62.3699 176.1910 149 L 4.0100 8.4056 122.9457 58.6793 41.7730 179.0689 150 F 4.4510 8.8427 117.4591 59.2251 39.8682 174.8175 151 E 5.0996 8.0151 118.3713 52.8434 28.6495 173.8879 152 H 4.8950 7.8228 129.3791 56.8932 32.2499 174.6671 153 H 4.4720 8.9797 113.7163 57.2586 29.0684 175.1403 154 L 3.9622 7.3595 120.8870 53.2641 41.9497 173.9675 155 K 4.1236 7.5259 120.6267 56.8037 32.6942 175.8905 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 M 8.29 4.37 0.00 1.98 2.09 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 2.48 2.60 0.00 2 N 8.05 4.48 0.00 2.91 2.79 0.00 0.00 6.34 6.77 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 3 E 9.35 3.98 0.00 1.97 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 2.31 2.33 0.00 4 L 8.15 4.41 0.00 1.68 1.83 0.96 0.96 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 5 E 8.03 4.53 0.00 1.79 1.58 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 2.03 2.17 0.00 6 G 8.14 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 7 Y 8.99 4.75 0.00 2.99 2.89 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 0.00 0.00 0.00 8 V 8.58 4.07 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 0.95 0.00 0.00 0.89 0.00 0.00 9 T 8.16 4.22 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 1.25 0.00 0.00 10 K 7.96 4.41 0.00 1.95 1.89 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.35 0.00 0.00 3.59 0.00 0.00 0.00 0.00 1.62 1.85 7.81 11 A 8.25 4.29 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.79 3.44 0.00 2.32 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 13 S 8.01 4.12 0.00 3.62 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.58 4.28 0.00 2.63 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 15 R 8.38 4.56 0.00 1.82 1.70 0.00 3.11 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.76 0.00 16 F 8.73 5.67 0.00 2.51 2.66 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 17 A 8.54 4.73 0.19 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 18 I 8.79 4.83 1.74 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 1.17 0.88 0.74 0.00 0.00 19 V 8.63 4.59 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 0.98 0.00 0.00 0.87 0.00 0.00 20 V 8.83 5.31 1.73 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 0.58 0.00 0.00 -0.63 0.00 0.00 21 A 8.45 5.67 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 22 R 9.05 4.26 0.00 1.98 2.03 0.00 3.13 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.37 0.00 23 F 8.25 4.10 0.00 3.32 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 24 N 8.42 4.33 0.00 3.26 3.07 0.00 0.00 6.72 7.66 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 25 E 8.09 4.51 0.00 2.34 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 2.36 2.29 0.00 26 F 8.35 3.99 0.00 3.11 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 27 V 8.43 4.11 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 0.91 0.00 0.00 1.16 0.00 0.00 28 T 8.01 3.86 4.34 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 1.33 0.00 0.00 29 R 8.56 4.04 0.00 2.17 1.98 0.00 3.38 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 30 R 7.96 3.81 0.00 2.06 1.93 0.00 3.25 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 31 L 8.32 3.85 0.00 1.87 1.71 0.92 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 32 M 8.59 3.86 0.00 2.09 1.80 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.60 0.00 33 E 8.68 4.06 0.00 2.16 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 2.36 2.59 0.00 34 G 8.34 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.80 3.66 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 36 L 8.27 4.07 0.00 1.98 1.70 1.02 1.07 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 37 D 8.64 4.41 0.00 2.79 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 38 T 7.99 3.88 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 0.79 0.00 0.00 39 F 7.65 4.31 0.00 3.33 3.07 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 40 K 8.18 4.18 0.00 2.01 1.94 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.67 7.81 41 K 8.56 3.85 0.00 2.06 2.29 0.00 1.95 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.50 7.81 42 Y 8.71 4.31 0.00 3.30 3.06 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 0.00 0.00 0.00 0.00 43 S 8.18 3.75 0.00 4.14 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 44 V 7.79 3.97 2.41 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 0.89 0.00 0.00 1.33 0.00 0.00 45 N 8.30 4.71 0.00 2.76 2.75 0.00 0.00 6.94 7.53 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 46 E 9.03 4.50 0.00 1.93 1.84 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 2.14 2.24 0.00 47 D 8.85 4.29 0.00 2.78 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 48 I 6.50 3.57 1.71 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 1.40 1.52 0.54 0.00 0.00 49 D 8.77 4.65 0.00 2.63 2.65 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 50 V 8.36 4.65 1.77 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 0.60 0.00 0.00 0.91 0.00 0.00 51 V 8.88 4.30 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 1.03 0.00 0.00 0.86 0.00 0.00 52 W 8.88 5.27 0.00 3.24 3.10 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 53 V 9.15 4.72 2.17 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 0.82 0.00 0.00 1.12 0.00 0.00 54 P 0.00 4.35 0.00 2.21 2.37 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.05 0.00 55 G 8.20 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.66 3.93 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 57 Y 8.34 3.94 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 58 E 8.72 4.15 0.00 2.38 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 2.42 2.50 0.00 59 L 7.82 3.98 0.00 1.76 1.69 0.84 0.70 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 60 G 7.84 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 61 V 7.74 3.67 2.11 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 0.82 0.00 0.00 1.03 0.00 0.00 62 T 7.80 3.84 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 1.21 0.00 0.00 63 A 8.59 3.90 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 64 Q 8.43 3.79 0.00 2.21 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 65 A 8.78 4.03 1.38 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 0.00 0.00 0.00 66 L 8.22 4.13 0.00 1.73 1.69 0.71 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.84 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 68 K 8.13 4.18 0.00 1.96 1.92 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.48 7.81 69 S 8.42 4.35 0.00 4.07 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 70 G 7.94 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 71 K 7.81 3.80 0.00 0.79 1.17 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.38 7.81 72 Y 7.43 4.79 0.00 2.93 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 73 H 9.14 4.83 0.00 2.83 3.45 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.89 4.97 1.45 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 0.00 0.00 75 I 8.86 4.88 1.78 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 1.27 1.38 0.76 0.00 0.00 76 V 8.86 4.63 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 0.94 0.00 0.00 0.83 0.00 0.00 77 C 9.16 5.09 0.00 2.67 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 78 L 8.10 5.51 0.00 1.39 1.39 0.79 0.81 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 79 G 8.07 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 0.00 0.00 0.00 0.00 80 A 8.56 5.27 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 81 V 9.21 4.27 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 0.78 0.00 0.00 0.86 0.00 0.00 82 V 8.45 4.27 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 0.76 0.00 0.00 1.06 0.00 0.00 83 K 8.49 3.56 0.00 0.79 1.33 0.00 0.92 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.09 0.66 7.81 84 G 8.54 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 85 D 7.71 4.62 0.00 2.63 2.41 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 86 T 8.39 4.27 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 1.24 0.00 0.00 87 S 8.55 4.89 0.00 4.28 4.21 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 88 H 7.93 3.88 0.00 3.28 3.43 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.23 4.17 0.00 3.11 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 90 D 8.51 4.19 0.00 2.90 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 91 A 8.29 3.85 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 92 V 8.41 3.61 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 0.94 0.00 0.00 1.04 0.00 0.00 93 V 8.07 3.53 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.10 0.00 0.00 94 N 8.84 4.24 0.00 2.85 2.79 0.00 0.00 7.06 6.81 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 95 S 8.21 3.94 0.00 3.76 3.07 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 96 A 8.69 3.94 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 97 S 8.81 4.24 0.00 3.71 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 98 S 8.88 4.11 0.00 3.82 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 99 G 8.55 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 0.00 0.00 0.00 100 V 7.95 3.61 2.46 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 1.09 0.00 0.00 1.01 0.00 0.00 101 L 8.21 3.94 0.00 1.84 1.72 0.88 0.78 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 0.00 102 S 8.81 4.08 0.00 3.98 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 0.00 103 A 8.70 4.06 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 0.00 104 G 8.32 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 0.00 0.00 0.00 0.00 105 L 7.80 4.03 0.00 1.81 1.76 0.94 1.01 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 0.00 106 N 8.55 4.51 0.00 2.69 2.90 0.00 0.00 7.19 7.55 0.00 0.00 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 S 8.71 4.38 0.00 4.02 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 0.00 108 G 7.99 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 0.00 109 V 7.80 4.54 2.14 0.00 0.00 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 1.08 0.00 0.00 110 P 0.00 4.56 0.00 1.95 1.73 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.38 0.00 111 C 8.59 5.23 0.00 2.83 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 0.00 112 V 8.87 3.75 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 0.70 0.00 0.00 0.88 0.00 0.00 113 F 8.98 4.48 0.00 3.06 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 0.00 114 G 8.69 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 0.00 0.00 0.00 115 V 6.36 4.79 1.77 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 -0.76 0.00 0.00 0.74 0.00 0.00 116 L 8.95 4.43 0.00 1.62 1.66 0.94 0.34 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 0.00 117 T 7.92 5.30 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 1.28 0.00 0.00 118 C 8.16 4.29 0.00 2.97 3.10 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 0.00 119 D 8.99 4.52 0.00 2.68 2.52 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 0.00 120 N 9.57 4.72 0.00 2.89 2.91 0.00 0.00 6.77 8.18 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 0.00 121 M 8.84 3.97 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 122 D 8.23 4.36 0.00 2.74 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 8.64 3.99 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 124 A 7.71 4.16 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 0.00 125 I 8.07 3.78 2.05 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.02 1.02 0.00 0.00 126 N 8.17 4.41 0.00 3.00 2.87 0.00 0.00 7.02 7.66 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 0.00 127 R 8.64 4.05 0.00 1.91 1.98 0.00 3.28 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 128 A 7.54 4.46 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 0.00 129 G 8.92 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 0.00 130 G 7.82 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 0.00 0.00 0.00 0.00 131 K 8.29 4.17 0.00 1.83 1.95 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.39 7.81 132 A 7.98 4.47 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 0.00 133 G 8.75 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 0.00 0.00 0.00 134 N 8.05 5.83 0.00 2.71 2.60 0.00 0.00 6.78 6.58 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 0.00 135 K 8.17 4.14 0.00 1.83 1.75 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.36 7.81 136 G 8.22 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 0.00 137 A 8.42 3.77 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 0.00 138 E 8.03 3.73 0.00 2.11 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 2.27 2.43 0.00 139 S 8.51 3.99 0.00 3.84 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 0.00 140 A 7.60 3.38 0.26 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 0.00 141 L 7.47 3.35 0.00 1.43 1.64 0.71 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.02 3.68 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 1.12 0.00 0.00 143 A 8.07 3.90 1.20 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 0.00 144 I 7.57 3.63 1.93 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.52 0.92 0.00 0.00 145 E 8.40 3.83 0.00 1.94 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 2.24 2.31 0.00 146 M 8.42 3.84 0.00 1.66 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.70 0.00 147 A 7.87 3.85 1.12 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 0.00 148 S 7.94 4.24 0.00 3.85 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 0.00 149 L 8.41 4.01 0.00 1.85 2.05 0.97 1.20 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 0.00 150 F 8.84 4.45 0.00 3.42 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 5.10 0.00 2.25 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 2.41 2.37 0.00 152 H 7.82 4.89 0.00 3.38 3.68 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.98 4.47 0.00 3.33 3.72 0.00 5.96 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 7.36 3.96 0.00 1.75 1.63 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.53 4.12 0.00 1.82 1.68 0.00 1.53 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 1.40 7.81