NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3904 8.3344 115.2918 58.5698 63.4004 173.3496 2 T 4.1158 8.5019 120.1665 62.4788 67.8412 173.2708 3 L 4.7400 9.1177 121.4831 55.4299 45.1216 175.9294 4 K 4.8509 7.9358 117.6623 55.2760 33.8515 176.6732 5 G 3.7836 7.6638 108.1637 46.7060 0.0000 171.5510 6 A 4.8513 8.1311 119.5210 50.6862 22.6137 175.9831 7 L 4.7449 8.9561 120.8525 53.7357 45.8015 174.9898 8 S 5.2001 8.7640 119.9784 56.5115 65.7505 173.0970 9 V 4.7177 8.9925 125.1376 59.7848 34.8037 174.1665 10 K 5.4827 8.9108 123.2280 53.7693 34.8960 174.8218 11 F 4.9661 8.0518 120.0321 56.2827 41.4473 172.2471 12 D 5.2552 8.7786 118.6438 52.7719 43.7706 175.8490 13 V 4.5165 8.3167 114.0395 59.5566 35.5621 176.9004 14 K 4.0009 9.6435 121.2446 58.5501 32.5245 177.8360 15 C 4.4671 8.4452 116.9154 58.7925 28.7365 172.5267 16 P 4.4274 0.0000 0.0000 62.7920 32.7938 177.5703 17 A 4.0588 8.4513 121.3550 55.6040 18.4910 179.9880 18 D 4.4226 8.0996 117.0144 57.3494 41.0040 178.7994 19 K 4.0218 8.0910 119.7185 59.3856 32.4466 178.4919 20 F 4.0571 8.5626 121.0795 61.3068 39.3240 176.8881 21 F 4.2088 8.8229 120.6014 61.4786 39.2130 177.2206 22 S 4.0438 8.5012 114.6215 61.4928 62.5787 176.5012 23 A 3.9128 8.0348 123.4283 54.9825 17.8676 179.3927 24 F 4.2223 7.5323 117.6734 61.5451 39.6647 176.9517 25 V 3.2520 7.4866 117.9452 66.0444 31.2855 177.6137 26 E 3.8349 8.1665 118.8876 59.1825 29.5038 178.1152 27 D 4.4068 8.1681 117.9303 56.5874 41.0791 177.4979 28 T 3.7434 7.0996 108.6238 63.3099 68.8813 175.6925 29 N 4.3815 7.7251 119.2667 54.6561 38.6200 174.9390 30 R 4.2718 7.0689 119.7769 53.6684 31.1010 174.7029 31 P 4.0929 0.0000 0.0000 62.9343 31.7859 176.5045 32 F 4.4860 8.3444 118.3806 58.6127 39.5227 175.0898 33 E 4.7573 7.5434 117.7154 54.5873 32.2395 175.9387 34 K 3.9310 8.6922 120.6042 58.9386 32.3521 177.1407 35 N 4.9347 8.0553 114.4521 52.8520 39.0123 174.7706 36 G 4.1012 7.8846 105.5869 45.6244 0.0000 173.9678 37 K 4.7657 8.9728 121.9109 54.7222 35.1527 175.5059 38 T 5.0013 8.6655 123.2289 61.8076 71.4067 173.1390 39 E 4.7345 9.3115 125.5890 54.4525 32.8903 175.1989 40 I 4.4104 8.4668 125.5183 61.3934 37.2160 175.4493 41 E 4.5036 9.5658 127.3694 57.9685 30.6539 176.7548 42 A 4.9203 7.8342 118.5784 50.6417 22.3514 176.1981 43 V 4.7854 8.2135 119.4307 60.5185 34.8581 173.4924 44 D 4.7455 9.3810 123.1978 52.6608 43.3884 176.0704 45 L 4.3207 8.8924 126.5555 56.9190 42.3626 178.7264 46 V 3.8386 7.9136 117.5863 65.2161 31.7893 177.1629 47 K 3.9620 8.3935 117.0741 56.8335 32.6364 176.7027 48 K 2.0000 7.5824 118.2404 57.3152 29.4756 173.7418 49 T 5.6771 6.5739 107.3250 59.0368 73.5778 173.5139 *51 T 4.7964 8.2049 116.6470 63.5013 70.1207 173.4118 52 I 5.0528 8.9618 119.3864 59.4204 41.2475 175.0412 53 Q 4.7355 9.0886 126.5924 54.7856 32.1549 173.7789 *55 S 4.5483 8.3766 113.5542 57.7273 65.0674 172.8801 56 G 4.6136 8.6091 108.8242 43.9656 0.0000 173.7153 57 S 4.1010 8.5095 116.5116 62.5079 63.0089 176.5585 58 E 4.0124 8.5315 120.4109 58.8528 29.0141 179.4432 59 I 3.8625 8.0279 117.9750 64.9156 37.3882 177.7570 60 Q 5.2151 7.7259 116.1748 56.2933 28.7475 177.9097 61 K 3.9571 8.3219 120.6054 58.3125 32.2737 177.0028 62 Y 4.1823 7.6803 115.1271 58.2512 40.4265 175.4619 63 F 5.4000 8.1775 118.1001 55.2683 41.8939 176.1988 64 K 4.1867 9.0153 125.3433 59.4805 32.6688 177.9588 65 T 4.7762 7.9728 115.5041 61.7611 72.9796 172.9176 66 L 5.0369 8.6869 127.1493 53.3403 44.8342 175.4001 67 K 4.9760 9.5656 125.9271 54.5219 35.9862 175.3758 68 G 3.9338 9.2685 110.1860 44.3190 0.0000 171.8075 69 S 5.1806 8.2280 120.3806 56.4819 66.3265 172.8934 70 I 5.3554 8.8639 123.9545 59.3559 41.0158 173.8075 71 A 5.2057 9.0831 129.2739 50.1665 22.3581 174.8761 72 V 4.8544 8.5961 122.5676 61.1612 33.8272 174.9941 73 T 4.7200 8.8113 117.7239 58.9746 72.0804 171.6618 74 P 4.4903 0.0000 0.0000 63.2589 31.6595 176.5050 75 I 3.7656 8.5167 125.9463 64.0279 37.4079 176.3860 76 G 4.2540 7.9889 107.9417 45.6557 0.0000 175.4381 77 V 4.2105 8.8205 116.7850 59.4395 31.2954 174.1850 78 G 3.9626 8.4919 107.8707 45.0589 0.0000 171.1541 79 D 4.5333 7.7808 117.7336 54.1320 41.5341 177.4093 80 G 4.0733 8.9832 107.1905 44.7556 0.0000 172.3339 81 S 4.9710 8.2578 113.1662 57.2960 67.9411 173.1320 82 H 5.0133 8.9043 120.1749 54.1409 30.5376 174.3973 83 V 4.4033 8.2579 123.0332 60.8362 34.0271 174.1055 84 V 4.7130 8.6866 128.3875 60.8696 33.7222 173.9383 85 W 5.3992 9.2619 135.0000 55.9345 33.6434 173.9129 86 T 4.6718 8.1672 123.6634 61.5855 71.7000 172.8130 87 F 5.1260 8.9624 125.2963 56.5327 41.0280 174.3925 88 H 5.2004 9.3569 121.9681 54.0574 30.9602 174.0090 89 F 5.3780 8.2175 116.9371 55.4320 42.1484 172.7769 90 E 5.3193 9.2704 120.5698 54.3217 32.0112 175.4838 91 K 4.7379 9.2858 127.2309 56.6403 32.5180 177.9822 92 V 3.9754 8.8084 117.4318 64.3863 32.1213 176.1613 93 H 5.0169 7.7917 113.7264 53.1941 31.6012 174.0256 94 K 3.9868 8.7250 118.8787 59.9236 32.2073 177.6527 95 D 4.5610 7.9754 117.0733 55.2042 41.2714 176.6123 96 I 3.7665 7.2602 121.3162 60.9883 37.5313 175.8914 97 D 4.5619 8.3391 124.4913 53.8342 41.4497 176.1214 98 D 4.3331 8.4422 121.8348 54.0101 42.0766 176.1650 99 P 4.5424 0.0000 0.0000 62.8761 28.6628 177.5381 100 H 4.2038 7.7837 118.6720 59.8197 29.3485 177.8051 101 S 4.1094 7.9865 116.3155 61.6938 62.7913 176.4085 102 I 3.6968 7.7472 121.9413 64.7297 36.7734 178.1670 103 I 4.1959 8.1741 119.2106 64.0338 37.8401 177.3356 104 D 4.3208 8.3287 119.1526 57.3196 40.9173 178.1206 105 E 3.9975 8.4038 119.2334 59.3039 29.3549 179.4556 106 S 3.8048 8.1105 115.3032 61.4200 62.8158 176.7296 107 V 3.2297 7.9643 121.0897 65.8883 31.1927 178.0592 108 K 3.8223 7.8743 118.0394 59.6090 31.9305 178.4493 109 Y 4.0057 8.0774 119.8018 60.9318 38.5714 178.4233 110 F 4.2460 8.2932 118.8824 60.5184 39.0474 177.9311 111 K 4.0961 8.4461 118.4979 59.2024 31.7497 179.6919 112 K 3.9696 8.1433 119.0439 59.0602 32.0008 178.7969 113 L 3.7403 8.0309 121.1256 58.2979 41.8727 178.4111 114 D 4.6288 8.5611 117.7443 57.8338 41.0500 178.2924 115 E 4.0066 8.3910 118.5966 59.2144 29.2033 179.1121 116 A 4.0090 8.2568 120.6739 54.9434 18.5568 179.0231 117 I 4.1640 7.4898 109.2256 62.3750 38.4174 177.5187 118 L 4.1886 7.8926 121.8723 57.9173 42.1763 177.9902 119 N 4.9108 7.7662 114.3162 53.1763 39.1321 175.0641 120 F 4.2358 8.0145 125.5084 58.5563 39.6798 173.5324 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 S 8.33 4.39 0.00 3.86 3.84 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 2 T 8.50 4.12 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 3 L 9.12 4.74 0.00 1.69 1.96 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.94 4.85 0.00 1.61 1.65 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.45 7.81 5 G 7.66 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 6 A 8.13 4.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.96 4.74 0.00 1.94 1.67 0.97 0.69 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 8 S 8.76 5.20 0.00 3.78 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 9 V 8.99 4.72 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 0.97 0.00 0.00 1.10 0.00 0.00 10 K 8.91 5.48 0.00 1.72 1.69 0.00 1.56 0.00 0.00 2.36 0.00 0.00 2.65 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.23 1.12 7.81 11 F 8.05 4.97 0.00 3.15 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 12 D 8.78 5.26 0.00 2.62 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.32 4.52 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.09 0.00 0.00 14 K 9.64 4.00 0.00 1.76 1.83 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.38 7.81 15 C 8.45 4.47 0.00 3.12 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 16 P 0.00 4.43 0.00 2.30 2.20 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 17 A 8.45 4.06 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 18 D 8.10 4.42 0.00 2.76 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 19 K 8.09 4.02 0.00 1.90 2.05 0.00 1.79 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.57 7.81 20 F 8.56 4.06 0.00 3.34 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 21 F 8.82 4.21 0.00 3.31 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 22 S 8.50 4.04 0.00 4.08 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 23 A 8.03 3.91 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 24 F 7.53 4.22 0.00 2.70 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 25 V 7.49 3.25 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 0.82 0.00 0.00 0.29 0.00 0.00 26 E 8.17 3.83 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 27 D 8.17 4.41 0.00 2.99 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 28 T 7.10 3.74 4.06 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 0.76 0.00 0.00 29 N 7.73 4.38 0.00 2.77 2.84 0.00 0.00 6.91 7.31 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 30 R 7.07 4.27 0.00 1.60 1.72 0.00 3.13 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 31 P 0.00 4.09 0.00 2.10 2.01 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 32 F 8.34 4.49 0.00 3.10 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 33 E 7.54 4.76 0.00 2.14 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 2.34 2.42 0.00 34 K 8.69 3.93 0.00 1.74 1.89 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.46 7.81 35 N 8.06 4.93 0.00 2.75 2.80 0.00 0.00 6.84 7.65 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 36 G 7.88 4.10 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 0.00 0.00 0.00 37 K 8.97 4.77 0.00 1.71 1.67 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.40 7.81 38 T 8.67 5.00 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 1.31 0.00 0.00 39 E 9.31 4.73 0.00 1.87 1.83 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 2.22 2.27 0.00 40 I 8.47 4.41 1.89 0.00 0.00 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 1.35 0.46 0.99 0.00 0.00 41 E 9.57 4.50 0.00 1.93 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 2.32 2.30 0.00 42 A 7.83 4.92 1.21 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 0.00 0.00 43 V 8.21 4.79 2.19 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 0.74 0.00 0.00 1.17 0.00 0.00 44 D 9.38 4.75 0.00 2.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.89 4.32 0.00 1.75 1.80 1.26 1.09 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 46 V 7.91 3.84 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 0.78 0.00 0.00 0.93 0.00 0.00 47 K 8.39 3.96 0.00 1.69 1.77 0.00 2.03 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.42 1.36 7.81 48 K 7.58 2.00 0.00 1.83 1.30 0.00 1.47 0.00 0.00 1.64 0.00 0.00 3.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.21 1.01 7.81 49 T 6.57 5.68 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 1.23 0.00 0.00 *51 T 8.20 4.80 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 52 I 8.96 5.05 2.04 0.00 0.00 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 1.67 1.63 1.03 0.00 0.00 53 Q 9.09 4.74 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.43 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 *55 S 8.38 4.55 0.00 4.01 4.10 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 56 G 8.61 4.61 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 57 S 8.51 4.10 0.00 3.86 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 58 E 8.53 4.01 0.00 2.31 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 2.37 2.55 0.00 59 I 8.03 3.86 1.97 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 1.61 0.89 1.06 0.00 0.00 60 Q 7.73 5.22 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.01 0.00 0.00 0.00 0.00 0.00 2.66 2.43 0.00 61 K 8.32 3.96 0.00 1.54 1.15 0.00 1.40 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.56 7.81 62 Y 7.68 4.18 0.00 2.67 1.76 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 63 F 8.18 5.40 0.00 3.16 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 64 K 9.02 4.19 0.00 1.75 1.94 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.67 7.81 65 T 7.97 4.78 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 1.31 0.00 0.00 66 L 8.69 5.04 0.00 1.43 1.49 0.22 0.19 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 67 K 9.57 4.98 0.00 1.69 1.68 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.38 7.81 68 G 9.27 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 69 S 8.23 5.18 0.00 3.65 3.75 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 70 I 8.86 5.36 2.54 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.66 1.52 0.00 0.00 71 A 9.08 5.21 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 72 V 8.60 4.85 2.18 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 0.94 0.00 0.00 1.23 0.00 0.00 73 T 8.81 4.72 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 1.16 0.00 0.00 74 P 0.00 4.49 0.00 1.93 2.00 0.00 3.64 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 2.00 2.10 0.00 75 I 8.52 3.77 1.86 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.07 0.83 0.00 0.00 76 G 7.99 4.25 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 0.00 77 V 8.82 4.21 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 0.85 0.00 0.00 0.92 0.00 0.00 78 G 8.49 3.96 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 0.00 0.00 0.00 79 D 7.78 4.53 0.00 2.72 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 80 G 8.98 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.26 4.97 0.00 3.43 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.90 5.01 0.00 2.95 3.04 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.26 4.40 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.24 0.00 0.00 84 V 8.69 4.71 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 0.93 0.00 0.00 0.85 0.00 0.00 85 W 9.26 5.40 0.00 3.29 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 86 T 8.17 4.67 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 0.86 0.00 0.00 87 F 8.96 5.13 0.00 2.95 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 9.36 5.20 0.00 3.00 3.08 0.00 5.79 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.22 5.38 0.00 2.92 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 90 E 9.27 5.32 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 91 K 9.29 4.74 0.00 1.78 1.87 0.00 1.91 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.42 1.75 7.81 92 V 8.81 3.98 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 0.65 0.00 0.00 0.96 0.00 0.00 93 H 7.79 5.02 0.00 3.31 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.72 3.99 0.00 1.92 2.04 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.52 7.81 95 D 7.98 4.56 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.26 3.77 1.74 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.65 0.57 0.00 0.00 97 D 8.34 4.56 0.00 2.61 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 98 D 8.44 4.33 0.00 2.69 2.55 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 99 P 0.00 4.54 0.00 2.00 1.87 0.00 3.49 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.38 0.00 100 H 7.78 4.20 0.00 3.20 3.40 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 0.00 101 S 7.99 4.11 0.00 3.80 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 0.00 102 I 7.75 3.70 1.88 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.47 0.71 0.00 0.00 103 I 8.17 4.20 2.34 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 1.66 1.81 1.07 0.00 0.00 104 D 8.33 4.32 0.00 3.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.40 4.00 0.00 2.25 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 2.56 2.49 0.00 106 S 8.11 3.80 0.00 4.20 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 0.00 107 V 7.96 3.23 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 0.50 0.00 0.00 0.77 0.00 0.00 108 K 7.87 3.82 0.00 2.02 1.83 0.00 1.72 0.00 0.00 1.56 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.63 7.81 109 Y 8.08 4.01 0.00 2.81 2.82 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 0.00 110 F 8.29 4.25 0.00 3.26 3.37 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 0.00 111 K 8.45 4.10 0.00 1.75 1.86 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.47 7.81 112 K 8.14 3.97 0.00 1.86 1.79 0.00 1.68 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.56 7.81 113 L 8.03 3.74 0.00 1.17 1.77 0.76 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.56 4.63 0.00 3.07 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 0.00 115 E 8.39 4.01 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 2.59 2.48 0.00 116 A 8.26 4.01 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 0.00 117 I 7.49 4.16 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.80 0.88 0.00 0.00 118 L 7.89 4.19 0.00 1.93 1.80 0.95 0.91 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 0.00 119 N 7.77 4.91 0.00 2.88 2.88 0.00 0.00 6.81 7.30 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 0.00 120 F 8.01 4.24 0.00 3.09 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 * Residues marked with a * may have inaccurate shift predictions.