NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B H 4.5948 8.3033 117.8179 54.5056 31.0387 172.8777 1C H 3.9602 8.5912 115.3080 56.8163 26.0191 172.9912 1D H 4.1879 9.1158 112.5446 56.9602 27.1894 174.3413 1E H 5.0899 7.9226 114.5244 53.7453 32.3798 172.9557 1F H 4.6249 8.9328 117.0470 56.0136 28.9453 174.4342 1G F 4.7985 8.4646 119.6301 57.8066 39.9154 174.4701 2 N 4.5946 8.5295 117.4452 52.4510 38.6566 174.4432 3 L 4.6888 8.0584 123.6233 52.1409 43.7112 174.8545 4 P 4.5129 0.0000 0.0000 61.5462 32.3021 174.3921 5 P 4.3217 0.0000 0.0000 62.8910 32.1081 174.6476 6 G 3.8933 7.7596 104.9556 43.8022 0.0000 171.8852 7 N 4.4541 7.8906 116.1816 51.9356 40.1989 173.6513 8 Y 4.7620 8.0472 115.0764 58.3649 38.4703 177.6749 9 K 4.0906 8.1137 123.4830 57.0648 31.7493 181.1386 10 K 4.7658 7.6339 116.3174 53.1803 35.0551 173.8242 11 P 4.8731 0.0000 0.0000 63.1409 32.6383 174.7201 12 K 4.6759 9.2224 119.0107 56.3800 36.6334 174.0297 13 L 4.9815 9.3795 120.6590 53.1577 44.3074 176.3465 14 L 4.8046 8.6293 123.2135 53.5763 42.6661 174.5438 15 Y 4.6658 9.2538 127.3500 56.6118 40.3124 173.7068 16 C 4.1278 8.7238 129.0927 57.9025 32.1838 174.2107 17 S 3.8547 8.0962 122.2248 61.3520 61.9853 174.9157 18 N 3.7096 7.1038 116.2486 55.8871 38.8565 174.5879 19 G 3.8945 7.5848 106.6506 44.4908 0.0000 172.7425 20 G 3.2196 7.5687 107.2769 44.6028 0.0000 173.5206 21 H 4.7554 7.3801 114.8194 53.7915 32.1766 174.1218 22 F 5.1876 8.7609 119.8949 55.6798 40.7625 175.3376 23 L 4.4697 8.9626 126.6527 55.9745 42.5284 176.2069 24 R 4.8011 10.2529 126.2230 54.6203 33.4111 173.9634 25 I 4.5994 8.1891 126.9767 59.5132 38.2725 175.7515 26 L 4.1583 8.9674 128.2126 53.3339 42.3670 176.9462 27 P 4.1710 0.0000 0.0000 65.7528 31.3037 177.3324 28 D 4.5223 7.9807 114.6521 53.5528 39.6967 177.0999 29 G 4.0195 8.5033 109.7290 45.3853 0.0000 173.5590 30 T 4.4057 8.0154 115.1295 61.4022 68.1350 173.3042 31 V 4.8776 7.8396 126.9046 61.3037 33.5895 174.3755 32 D 4.5506 8.6549 124.4281 53.1416 42.9045 174.0984 33 G 4.0764 9.1637 105.4501 45.2377 0.0000 172.9263 34 T 4.9519 8.7674 115.6901 60.5476 70.6259 175.0143 35 R 4.1199 8.9801 126.5395 58.0413 30.9300 175.9313 36 D 4.4120 8.1933 119.7194 54.7835 40.3587 177.4431 37 R 3.6676 8.5698 126.4111 58.5342 29.5335 175.1390 38 S 4.3537 8.5577 109.6365 59.2961 63.6608 174.1331 39 D 4.2646 7.6295 121.0080 55.4984 41.0324 176.1754 40 Q 4.2644 8.5798 123.6364 56.6895 29.3459 175.7211 41 H 4.8578 9.3965 115.8511 55.4834 29.2562 175.1617 42 I 4.4320 7.5283 111.8344 60.8636 38.5743 175.3551 43 Q 4.2409 7.8560 121.8729 55.7657 29.6971 174.6194 44 L 5.0970 8.9866 125.1391 52.8037 45.0168 175.4897 45 Q 4.8005 9.4568 126.1224 54.6428 30.3832 174.4774 46 L 5.5588 8.7986 126.5837 53.4149 43.6901 176.2826 47 S 4.5063 8.1678 114.0347 57.0317 66.6136 172.4065 48 A 4.6011 8.1756 123.6702 50.5297 19.7885 175.7767 49 E 3.9996 9.2821 126.9054 56.6769 30.4265 177.4091 50 S 4.8267 7.4787 112.0056 55.9002 66.4093 173.8207 51 V 3.8217 8.2259 121.6162 64.7549 31.6329 176.3389 52 G 3.9222 9.2641 115.3270 44.9869 0.0000 171.8313 53 E 5.1012 8.4074 120.4451 54.7263 31.7633 175.6723 54 V 4.9331 8.7328 116.8286 59.9508 36.6518 174.0182 55 Y 4.9995 8.9470 119.8061 56.6764 40.9628 175.4013 56 I 4.4560 8.5832 122.5990 59.4123 39.5117 173.4906 57 K 4.4499 8.9614 128.7923 54.4725 34.5410 175.0649 58 S 4.6288 8.5860 122.8129 58.0983 62.6353 174.8887 59 T 3.9560 8.4377 118.9180 64.8911 68.7389 175.9443 60 E 4.0317 8.3996 122.3514 58.7140 29.8163 177.2073 61 T 4.3197 8.1038 105.9689 60.8018 70.2232 175.4291 62 G 3.8273 8.4271 110.3805 45.1604 0.0000 173.6816 63 Q 4.4361 7.7729 119.2982 56.0203 30.2408 174.6041 64 Y 4.7348 9.0516 120.2193 55.9132 40.5765 175.1661 65 L 4.3507 8.8391 125.8985 55.5626 43.4803 175.6175 66 A 5.1214 8.8548 126.0726 50.9401 23.3476 174.5726 67 M 5.4231 8.5845 118.9762 53.8673 34.9926 175.3229 68 D 5.2739 9.4852 126.6889 52.5818 40.7760 177.3258 69 T 4.2397 8.5678 109.1549 64.4058 68.5364 174.5477 70 D 4.6005 8.3801 119.8853 54.0332 41.3861 176.9120 71 G 3.1523 8.8846 108.5668 45.2787 0.0000 172.9285 72 L 4.6683 8.2734 120.0505 53.1286 42.9697 175.9772 73 V 4.7934 8.1996 122.9077 62.8265 32.6751 174.2757 74 Y 4.9261 9.1481 124.3555 56.2256 42.0872 173.4038 75 G 4.1859 9.1415 108.3067 45.0817 0.0000 173.4242 76 S 5.0015 9.1891 122.0640 57.0490 63.6918 175.4206 77 Q 4.3299 9.0324 125.0953 58.1535 28.9515 176.3044 78 T 4.7239 7.8105 106.5240 58.7700 71.7811 171.3797 79 P 4.1027 0.0000 0.0000 61.5826 32.1383 174.9071 80 N 4.9298 8.2469 119.5883 51.2724 40.2847 174.2579 81 E 3.6258 8.8760 114.8615 59.6201 29.5040 178.6175 82 E 4.0520 8.9262 118.5872 58.1199 29.7399 177.7522 83 C 4.9094 8.2763 115.2867 59.5345 29.0892 173.5973 84 L 4.2155 6.9483 120.6413 53.9280 42.6873 175.9727 85 F 5.1500 8.6925 121.0791 55.6506 43.6470 174.5012 86 L 4.8234 9.4815 124.0487 53.6421 42.1766 175.4870 87 E 4.1455 8.6513 126.5787 55.7134 30.0570 176.0154 88 R 4.8148 8.4745 125.2341 54.0606 34.9447 174.5733 89 L 4.7369 8.5934 123.3961 55.1511 43.1645 175.8139 90 E 4.6716 9.0721 125.0697 55.1475 33.3176 175.1286 91 E 3.9969 9.5741 124.0704 57.6212 27.2392 174.5009 92 N 4.6829 8.5257 111.3892 54.1380 36.5104 174.0914 93 H 4.8084 7.8393 115.9792 57.5965 36.8861 173.3017 94 Y 4.5960 8.1551 116.6805 57.2296 40.2881 173.8724 95 N 5.5574 9.4874 118.3552 52.0276 41.1586 174.6760 96 T 5.2901 8.9181 112.7292 60.1396 72.9842 172.6525 97 Y 5.0094 8.7517 119.5724 56.6276 41.2071 174.1683 98 I 4.6845 8.3591 126.0326 59.1317 39.5942 175.5594 99 S 4.0875 9.0145 122.2034 58.7263 62.8662 174.9080 100 K 3.8323 8.6448 129.1007 59.4007 32.3480 178.5273 101 K 3.6951 7.9297 117.7243 59.2300 32.2085 177.8447 102 H 4.7908 7.8474 115.1573 55.1619 30.0374 176.6699 103 A 4.0688 7.8632 127.3954 54.5770 17.9466 180.0114 104 E 3.9297 8.0074 113.6159 58.7905 29.8455 177.8124 105 K 4.0095 7.5785 116.9875 55.7472 32.6257 175.9121 106 N 3.8741 7.4614 115.4651 53.8974 36.4079 174.5923 107 W 4.9878 7.7237 117.8204 56.0265 30.7458 176.9833 108 F 5.4835 9.1633 123.9021 55.6119 41.6419 175.5960 109 V 4.0552 8.8986 121.3222 62.8459 32.5433 175.2359 110 G 4.5947 8.6186 112.9019 45.1633 0.0000 171.2594 111 L 5.1373 8.5109 120.6211 52.4964 45.2237 177.1085 112 K 4.1850 8.7698 122.9924 55.4604 32.9046 178.2830 113 K 3.8454 8.5259 120.2502 59.4010 31.9665 177.7523 114 N 4.5531 8.0831 113.7321 52.5714 37.7326 175.9341 115 G 3.5549 8.6755 108.6497 45.3784 0.0000 173.0870 116 S 4.9856 7.9710 114.8470 56.5551 65.3313 173.8210 117 C 4.7393 8.5831 119.5404 60.1969 28.6014 173.5314 118 K 4.4352 8.5862 121.6263 55.6076 33.4127 176.6959 119 R 4.3468 8.3341 121.0280 54.8881 31.6394 177.6946 120 G 3.5083 8.9651 113.1258 48.3160 0.0000 174.1788 121 P 4.2826 0.0000 0.0000 64.4416 31.3688 177.3458 122 R 4.3804 7.8151 115.8032 56.1699 30.3765 176.2093 123 T 4.8673 7.4938 109.0422 60.6566 70.7927 173.6825 124 H 4.8616 8.8247 115.8422 54.7251 31.4760 173.0873 125 Y 3.9255 8.6972 118.9850 60.1664 38.0791 177.2507 126 G 3.9854 9.0145 111.5112 45.2120 0.0000 173.5507 127 Q 4.2727 7.3291 119.1349 54.7616 30.1435 177.1826 128 K 3.4881 8.3068 119.9629 58.7832 32.8058 179.3835 129 A 3.9651 8.0293 121.2098 53.9231 18.3714 178.5036 130 I 4.3903 6.6413 106.2684 60.5425 38.4347 175.5734 131 L 4.2555 7.2444 123.1182 54.1663 42.5237 175.8845 132 F 5.4019 9.2869 122.3530 55.4998 43.3456 174.1905 133 L 5.2612 9.2600 123.1584 52.6864 44.8974 173.6463 134 P 5.1256 0.0000 0.0000 62.7477 32.0245 175.6268 135 L 4.9175 9.3832 125.3612 52.0582 44.7772 174.4700 136 P 4.7156 0.0000 0.0000 62.3902 32.3960 177.0877 137 V 3.7725 8.2056 114.6541 61.7920 31.6130 176.3026 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 1B H 8.30 4.59 0.00 3.08 3.54 0.00 5.75 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 1C H 8.59 3.96 0.00 3.40 3.32 0.00 5.83 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 9.12 4.19 0.00 3.24 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.92 5.09 0.00 3.30 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.93 4.62 0.00 3.34 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.46 4.80 0.00 2.81 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 2 N 8.53 4.59 0.00 2.95 2.80 0.00 0.00 6.91 6.74 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 3 L 8.06 4.69 0.00 1.48 1.41 0.54 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.51 0.00 2.16 2.13 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.89 0.00 5 P 0.00 4.32 0.00 2.17 2.06 0.00 3.72 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 1.96 1.93 0.00 6 G 7.76 3.89 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 0.00 0.00 0.00 7 N 7.89 4.45 0.00 2.63 2.63 0.00 0.00 5.85 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 8 Y 8.05 4.76 0.00 3.06 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 9 K 8.11 4.09 0.00 1.78 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.40 1.31 7.81 10 K 7.63 4.77 0.00 1.72 1.73 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.39 7.81 11 P 0.00 4.87 0.00 2.07 2.06 0.00 3.80 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 1.98 1.96 0.00 12 K 9.22 4.68 0.00 1.94 1.98 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.65 7.81 13 L 9.38 4.98 0.00 1.81 1.86 0.60 0.22 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 14 L 8.63 4.80 0.00 1.53 1.55 0.36 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.25 4.67 0.00 3.12 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 16 C 8.72 4.13 0.00 2.33 2.35 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 17 S 8.10 3.85 0.00 3.94 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 18 N 7.10 3.71 0.00 2.56 2.67 0.00 0.00 6.75 7.98 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 19 G 7.58 3.89 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 0.00 0.00 0.00 20 G 7.57 3.22 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 21 H 7.38 4.76 0.00 3.01 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.76 5.19 0.00 3.13 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 23 L 8.96 4.47 0.00 1.66 1.58 0.87 0.48 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 24 R 10.25 4.80 0.00 1.96 2.09 0.00 3.21 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 25 I 8.19 4.60 1.84 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 1.18 0.71 0.89 0.00 0.00 26 L 8.97 4.16 0.00 1.73 1.51 0.92 0.89 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 27 P 0.00 4.17 0.00 2.00 2.09 0.00 3.52 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 28 D 7.98 4.52 0.00 2.77 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 29 G 8.50 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 30 T 8.02 4.41 4.26 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 1.24 0.00 0.00 31 V 7.84 4.88 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 0.91 0.00 0.00 0.90 0.00 0.00 32 D 8.65 4.55 0.00 2.89 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 33 G 9.16 4.08 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 0.00 0.00 0.00 34 T 8.77 4.95 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 1.36 0.00 0.00 35 R 8.98 4.12 0.00 1.90 2.05 0.00 3.24 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 36 D 8.19 4.41 0.00 2.83 2.64 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 37 R 8.57 3.67 0.00 1.87 1.84 0.00 3.31 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 38 S 8.56 4.35 0.00 3.90 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 39 D 7.63 4.26 0.00 2.77 2.64 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 40 Q 8.58 4.26 0.00 1.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 41 H 9.40 4.86 0.00 3.31 3.50 0.00 5.79 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 42 I 7.53 4.43 1.92 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 1.53 0.49 1.03 0.00 0.00 43 Q 7.86 4.24 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 44 L 8.99 5.10 0.00 1.59 1.45 0.80 0.63 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 45 Q 9.46 4.80 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 46 L 8.80 5.56 0.00 1.77 1.46 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.17 4.51 0.00 3.87 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 48 A 8.18 4.60 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 49 E 9.28 4.00 0.00 1.81 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 2.30 2.34 0.00 50 S 7.48 4.83 0.00 3.94 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.23 3.82 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 0.92 0.00 0.00 1.04 0.00 0.00 52 G 9.26 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 53 E 8.41 5.10 0.00 2.06 1.74 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 2.23 2.30 0.00 54 V 8.73 4.93 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 0.59 0.00 0.00 1.16 0.00 0.00 55 Y 8.95 5.00 0.00 2.94 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 56 I 8.58 4.46 1.76 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.78 0.68 0.00 0.00 57 K 8.96 4.45 0.00 1.25 1.52 0.00 0.89 0.00 0.00 0.86 0.00 0.00 2.62 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.00 0.76 7.81 58 S 8.59 4.63 0.00 3.86 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 59 T 8.44 3.96 4.20 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 1.19 0.00 0.00 60 E 8.40 4.03 0.00 1.97 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 2.24 2.37 0.00 61 T 8.10 4.32 4.23 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 1.23 0.00 0.00 62 G 8.43 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 63 Q 7.77 4.44 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 64 Y 9.05 4.73 0.00 2.94 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 65 L 8.84 4.35 0.00 1.72 1.48 0.78 0.50 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 66 A 8.85 5.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.58 5.42 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.69 0.00 68 D 9.49 5.27 0.00 3.00 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 69 T 8.57 4.24 4.37 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 1.34 0.00 0.00 70 D 8.38 4.60 0.00 2.66 2.67 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 0.00 0.00 0.00 0.00 71 G 8.88 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.67 0.00 2.00 1.61 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.20 4.79 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 0.84 0.00 0.00 0.99 0.00 0.00 74 Y 9.15 4.93 0.00 3.13 3.01 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 75 G 9.14 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 0.00 0.00 0.00 76 S 9.19 5.00 0.00 3.85 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 9.03 4.33 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.81 4.72 4.20 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 1.23 0.00 0.00 79 P 0.00 4.10 0.00 1.42 0.49 0.00 3.56 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.16 0.00 80 N 8.25 4.93 0.00 2.91 2.93 0.00 0.00 5.97 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 81 E 8.88 3.63 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 82 E 8.93 4.05 0.00 2.24 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 0.00 2.37 2.35 0.00 83 C 8.28 4.91 0.00 3.28 3.23 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 84 L 6.95 4.22 0.00 1.42 1.26 0.73 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.69 5.15 0.00 3.17 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 86 L 9.48 4.82 0.00 1.49 1.62 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.65 4.15 0.00 2.13 1.91 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 2.20 1.91 0.00 88 R 8.47 4.81 0.00 1.78 1.79 0.00 3.16 0.00 0.00 2.87 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 89 L 8.59 4.74 0.00 1.54 1.60 0.99 0.81 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 90 E 9.07 4.67 0.00 2.19 1.85 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 2.27 2.42 0.00 91 E 9.57 4.00 0.00 2.48 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 2.37 2.40 0.00 92 N 8.53 4.68 0.00 2.84 2.89 0.00 0.00 6.85 8.16 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 93 H 7.84 4.81 0.00 2.74 3.09 0.00 5.94 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 94 Y 8.16 4.60 0.00 3.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 9.49 5.56 0.00 3.05 2.66 0.00 0.00 6.95 6.85 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 96 T 8.92 5.29 4.49 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 1.32 0.00 0.00 97 Y 8.75 5.01 0.00 2.76 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 98 I 8.36 4.68 1.70 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 -0.29 0.73 0.68 0.00 0.00 99 S 9.01 4.09 0.00 4.09 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 0.00 100 K 8.64 3.83 0.00 1.62 1.59 0.00 1.52 0.00 0.00 1.38 0.00 0.00 2.65 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.20 1.11 7.81 101 K 7.93 3.70 0.00 1.58 1.54 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.04 1.36 7.81 102 H 7.85 4.79 0.00 3.04 2.30 0.00 5.69 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 0.00 103 A 7.86 4.07 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 0.00 104 E 8.01 3.93 0.00 1.98 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 2.10 2.16 0.00 105 K 7.58 4.01 0.00 0.79 1.29 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.51 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.04 0.88 7.81 106 N 7.46 3.87 0.00 2.98 2.95 0.00 0.00 6.92 7.71 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 0.00 107 W 7.72 4.99 0.00 3.26 3.04 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 0.00 108 F 9.16 5.48 0.00 2.88 3.02 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 0.00 109 V 8.90 4.06 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 0.69 0.00 0.00 0.53 0.00 0.00 110 G 8.62 4.59 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 0.00 111 L 8.51 5.14 0.00 1.43 1.41 1.04 0.82 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 0.00 112 K 8.77 4.19 0.00 2.03 1.66 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.45 7.81 113 K 8.53 3.85 0.00 1.70 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.51 7.81 114 N 8.08 4.55 0.00 2.81 2.89 0.00 0.00 6.12 7.00 0.00 0.00 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 G 8.68 3.55 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 0.00 116 S 7.97 4.99 0.00 3.89 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 0.00 117 C 8.58 4.74 0.00 2.88 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 0.00 118 K 8.59 4.44 0.00 1.64 1.71 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.38 7.81 119 R 8.33 4.35 0.00 1.73 1.61 0.00 3.06 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 120 G 8.97 3.51 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 0.00 0.00 0.00 121 P 0.00 4.28 0.00 1.96 2.18 0.00 3.02 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.49 0.00 122 R 7.82 4.38 0.00 1.88 1.94 0.00 3.30 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 123 T 7.49 4.87 4.39 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 1.42 0.00 0.00 124 H 8.82 4.86 0.00 3.49 3.50 0.00 5.48 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.70 3.93 0.00 3.10 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 0.00 126 G 9.01 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 0.00 127 Q 7.33 4.27 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.19 1.93 0.00 128 K 8.31 3.49 0.00 1.77 1.64 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.27 7.81 129 A 8.03 3.97 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 0.00 130 I 6.64 4.39 1.56 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.76 0.63 0.00 0.00 131 L 7.24 4.26 0.00 1.08 0.49 0.36 0.57 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 0.00 132 F 9.29 5.40 0.00 3.38 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 0.00 133 L 9.26 5.26 0.00 2.07 1.73 0.86 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.13 0.00 2.21 2.20 0.00 3.87 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 2.06 2.14 0.00 135 L 9.38 4.92 0.00 1.71 1.65 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.72 0.00 1.94 1.98 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 137 V 8.21 3.77 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 0.64 0.00 0.00 0.91 0.00 0.00