NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1D H 4.8197 8.4449 116.3343 55.2974 30.1667 172.5658 1E H 4.8689 8.0416 115.0402 52.8762 32.5953 171.4558 1F H 4.6186 9.1529 117.6979 55.9606 29.9962 174.0164 1G F 4.8711 8.3746 119.6309 57.7655 39.8123 174.5491 2 N 4.6424 8.3806 117.7672 52.4396 38.9970 174.7132 3 L 4.7606 8.0611 123.3833 52.0553 44.0507 174.6713 4 P 4.5568 0.0000 0.0000 61.4784 32.5622 175.0383 5 P 4.3902 0.0000 0.0000 62.6817 33.2962 176.3218 6 G 4.0299 8.6258 104.8122 45.8379 0.0000 172.3951 7 N 4.6266 7.9721 115.3029 51.5206 39.6083 174.6017 8 Y 4.7966 8.2087 119.0856 58.3263 38.9482 176.6700 9 K 4.1146 9.0992 122.4092 58.9004 32.1878 177.3721 10 K 4.6484 7.6009 115.2675 53.3677 34.8340 173.6649 11 P 4.7596 0.0000 0.0000 63.2064 32.4521 175.0528 12 K 4.8711 9.4277 118.7789 55.3350 37.4771 175.0106 13 L 5.0374 9.2660 121.5785 53.3015 44.4334 176.2077 14 L 5.0062 8.6249 123.4832 53.5605 42.7516 174.1893 15 Y 4.6802 9.2564 126.6942 56.8900 40.3554 173.4568 16 C 4.1549 8.6595 128.1953 57.7809 32.4238 174.4945 17 S 3.8138 8.0447 121.2837 60.9711 61.6256 174.0053 18 N 3.7592 7.1822 116.2569 56.0799 38.8008 174.5836 19 G 3.8340 7.6543 107.4877 44.7320 0.0000 173.3276 20 G 3.2914 7.5717 107.4144 46.4928 0.0000 173.3986 21 H 4.7891 7.4737 115.3540 54.0308 31.5076 174.0845 22 F 5.1860 8.9428 120.4632 55.9491 41.0656 175.2779 23 L 4.4219 9.1157 126.4074 55.4470 43.1797 175.5621 24 R 4.8155 9.4658 126.5169 54.6124 33.3816 174.1022 25 I 4.3468 8.2965 127.2150 59.3941 38.4559 175.6620 26 L 4.0912 8.5160 127.8377 53.4656 42.3037 176.9561 27 P 4.2019 0.0000 0.0000 65.8226 31.2911 177.2952 28 D 4.4863 7.9342 114.4566 53.8488 39.7797 176.9566 29 G 4.1454 8.3544 109.7954 45.2804 0.0000 173.9034 30 T 4.3796 8.2580 117.3707 63.3170 69.1280 173.5525 31 I 5.0226 7.9924 125.4120 59.7214 40.5419 174.8396 32 D 4.5840 8.4352 122.9737 52.9573 42.5770 174.1519 33 G 4.5562 8.5081 104.5803 45.4596 0.0000 172.3228 34 T 5.0113 8.8036 114.8075 60.6673 71.0254 174.6494 35 R 4.3356 8.7979 123.9119 56.7080 31.1299 176.3155 36 D 4.5631 8.2534 118.6940 53.7537 40.2938 176.8489 37 R 3.7257 8.6120 126.8295 58.2358 30.2240 177.9475 38 S 4.4005 8.7417 111.5709 58.1483 63.6062 174.0742 39 D 4.3555 7.7057 122.0251 55.0159 41.2609 175.7339 40 Q 4.3915 8.5215 123.8034 56.6117 29.1163 175.7286 41 H 4.9005 9.3175 115.4996 55.4796 29.3148 175.0072 42 I 4.5241 7.1773 109.8358 59.9211 38.4406 175.3724 43 Q 4.2847 7.7776 122.0245 55.6143 29.6935 174.6833 44 L 5.2668 8.9342 124.5192 52.7881 45.5312 175.3014 45 Q 4.7881 9.2624 124.0319 54.4310 31.2357 174.2719 46 L 5.3657 8.6937 126.3394 53.4818 44.1783 176.0179 47 S 4.4704 8.4963 114.7193 56.6786 66.9485 172.4927 48 A 4.6341 7.9347 123.7744 50.7511 19.2576 176.7498 49 E 4.0253 8.9085 124.8870 58.4380 30.3681 176.5715 50 S 4.6096 7.3975 112.1634 56.3034 67.0973 173.1840 51 V 3.7818 8.3594 121.8947 65.0433 31.3804 176.5545 52 G 3.9505 9.2424 115.3419 45.1493 0.0000 171.6127 53 E 5.1405 8.4869 120.5057 54.6256 32.0982 175.6765 54 V 4.9096 8.9917 117.1682 59.7985 36.4851 174.0624 55 Y 5.5990 8.6035 119.1541 56.6305 41.2371 175.2245 56 I 4.7105 8.5816 122.1413 59.5299 40.4966 174.2421 57 K 4.7952 8.7032 128.5033 54.0683 35.6447 175.0388 58 S 4.5849 8.6828 122.5167 58.5552 62.6351 174.9844 59 T 3.8732 8.5934 118.5045 64.6160 68.8334 176.0044 60 E 4.0402 8.3831 122.6204 58.6287 29.8239 177.1174 61 T 4.3198 8.1758 106.1062 60.6769 69.9913 175.4635 62 G 3.8386 8.2023 110.1009 45.4392 0.0000 173.8809 63 Q 4.4133 7.5635 119.3377 56.0999 30.2098 174.6138 64 Y 4.6911 9.1711 120.7390 56.0814 40.1626 175.1196 65 L 4.3619 9.0807 126.7000 55.4725 43.4852 175.5545 66 A 4.9443 8.5640 125.7804 50.9889 23.2390 174.4439 67 M 5.3929 8.5984 119.6371 53.8185 34.8146 175.7170 68 D 5.2651 9.3975 126.5779 52.6078 41.0892 176.8949 69 T 4.0859 8.6013 112.8428 64.8616 67.2472 174.0578 70 D 4.8369 8.6800 119.9076 53.9913 41.1292 177.3203 71 G 3.4002 8.4570 107.1770 45.2767 0.0000 173.3140 72 L 4.7151 7.7326 120.0617 53.5566 43.2104 176.2869 73 L 4.9753 8.5830 123.6421 55.2319 42.7445 175.6190 74 Y 4.9967 9.1099 119.5568 56.0032 42.0256 173.5242 75 G 4.2034 8.9430 108.7254 45.2535 0.0000 173.1199 76 S 5.0868 9.1238 121.2260 56.7840 64.0386 175.3072 77 Q 4.0618 9.0376 125.6983 58.0822 28.9976 176.3851 78 T 4.6740 7.4925 106.0287 58.4505 71.7336 171.6252 79 P 3.4366 0.0000 0.0000 62.3333 31.9492 175.2169 80 N 4.9707 8.0332 118.3218 51.0575 40.3889 174.5105 81 E 3.9588 8.7029 115.1682 59.0191 29.6853 177.5083 82 E 4.2013 8.9878 118.7674 57.3565 29.7971 177.2501 83 C 4.8577 7.8990 115.3733 59.0701 29.0768 173.3758 84 L 4.6209 7.3210 121.0929 53.6674 42.9235 175.6449 85 F 5.2696 8.9350 121.4546 55.6226 43.5145 174.3246 86 L 4.8235 9.2036 122.9052 53.7417 42.6546 175.5204 87 E 4.5054 8.9223 127.0154 55.3071 30.1135 175.7292 88 R 4.8170 8.6367 125.5143 53.9528 34.7926 174.8199 89 L 4.6792 8.6382 123.5440 55.4553 43.1216 175.8247 90 E 4.7190 9.0994 123.7594 55.3901 33.6793 174.7428 91 E 4.0157 9.7554 123.3804 57.8160 27.3510 174.4492 92 N 4.3314 8.5705 110.3877 54.2150 36.6345 174.0163 93 H 4.8368 8.7229 116.6283 57.7386 36.4681 173.4563 94 Y 4.6505 7.8980 116.0114 57.3794 40.2166 173.5373 95 N 5.6275 9.6746 118.0467 51.9283 41.2646 174.5754 96 T 5.2794 8.8077 112.7320 60.1474 72.9992 172.6219 97 Y 4.9994 8.7247 119.4113 56.6165 41.4649 174.2153 98 I 4.6410 8.5701 126.0869 59.2674 39.4696 175.4661 99 S 4.1018 9.0939 122.5883 58.5833 62.3862 173.9534 100 K 3.9828 8.9037 129.7375 59.3626 32.2592 178.6918 101 K 3.8220 7.9422 118.2790 58.9735 32.3764 176.5957 102 H 4.7983 7.8350 115.5406 55.0270 29.5629 176.1674 103 A 3.9790 7.7696 125.2668 55.0334 18.4196 180.7961 104 E 3.7226 8.0212 112.7466 58.5660 29.7203 177.7076 105 K 4.2298 7.5375 116.8267 55.3109 32.8377 175.7126 106 N 3.8705 7.6823 115.4973 53.9581 36.4045 174.9732 107 W 4.9352 7.7081 117.8876 56.0674 30.8073 177.5525 108 F 5.3751 9.3139 124.3461 55.6945 41.0676 175.7848 109 V 4.0365 8.7614 121.4892 62.9275 32.0987 175.6482 110 G 4.4224 8.6185 112.6479 45.2395 0.0000 171.4884 111 L 5.2884 8.5692 122.4331 52.5459 44.9711 177.0025 112 K 4.2290 8.9958 123.1138 55.2124 33.1057 178.3177 113 K 3.8788 8.4372 119.6333 59.3444 31.9429 177.9030 114 N 4.5647 8.0782 113.8472 52.6255 37.7665 175.8843 115 G 3.5288 8.2434 108.4395 45.3966 0.0000 173.7001 116 S 4.8067 7.9851 114.6241 57.1364 64.5031 173.5436 117 C 4.7636 8.2709 119.2624 59.8526 28.7775 173.3135 118 K 4.4252 8.8121 121.5359 55.4515 33.2802 176.6360 119 R 4.0016 8.5519 123.6362 55.9363 31.2273 177.1058 120 G 3.2619 8.8179 115.1689 48.3772 0.0000 174.0876 121 P 4.1127 0.0000 0.0000 64.1833 31.4666 177.5987 122 R 4.2596 7.7989 115.9185 56.5414 30.4355 176.4455 123 T 5.0663 7.6766 108.4249 59.9937 70.6483 173.4384 124 H 4.6872 7.8473 114.9259 54.9756 30.4067 173.1542 125 Y 3.9623 8.7543 118.5535 60.0131 38.0666 177.0487 126 G 4.0914 9.0499 111.4825 45.4827 0.0000 173.8463 127 Q 4.3081 7.4727 119.0061 54.8838 30.0025 177.0491 128 K 3.8091 8.2627 119.1813 58.6055 32.8392 179.3071 129 A 4.0283 8.0942 121.3122 53.8883 18.2495 178.4812 130 I 4.3529 7.2376 106.3181 61.0750 38.6686 175.2321 131 L 4.4069 7.2242 123.3676 53.9437 42.7276 175.8024 132 F 5.4656 9.3919 122.3271 55.6099 43.3707 174.2433 133 L 5.2491 9.2740 120.8692 52.4249 45.0209 174.0275 134 P 5.1089 0.0000 0.0000 62.4445 32.1113 175.4677 135 L 4.9053 9.1891 125.1709 51.9037 44.7174 174.7067 136 P 4.6329 0.0000 0.0000 62.6881 32.3518 177.0547 137 V 3.8072 8.1662 114.2767 61.7308 31.6700 176.2989 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 1D H 8.44 4.82 0.00 3.19 3.44 0.00 5.46 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 8.04 4.87 0.00 3.30 3.30 0.00 5.71 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 9.15 4.62 0.00 3.33 3.39 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 8.37 4.87 0.00 2.88 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 8.38 4.64 0.00 2.98 2.80 0.00 0.00 6.87 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 4.76 0.00 1.47 1.41 0.62 0.34 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 4.56 0.00 2.16 2.10 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 1.94 1.91 0.00 5 P 0.00 4.39 0.00 2.17 2.11 0.00 3.81 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 6 G 8.63 4.03 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 0.00 0.00 0.00 7 N 7.97 4.63 0.00 2.67 2.70 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 8.21 4.80 0.00 3.01 3.25 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 9 K 9.10 4.11 0.00 1.82 1.90 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.56 7.81 10 K 7.60 4.65 0.00 1.72 1.70 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.39 7.81 11 P 0.00 4.76 0.00 2.06 2.06 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 12 K 9.43 4.87 0.00 1.65 1.82 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.61 7.81 13 L 9.27 5.04 0.00 1.70 1.70 0.62 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.62 5.01 0.00 1.58 1.60 0.27 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.26 4.68 0.00 3.22 3.12 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 16 C 8.66 4.15 0.00 2.50 2.49 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 17 S 8.04 3.81 0.00 3.78 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 18 N 7.18 3.76 0.00 2.59 2.52 0.00 0.00 6.81 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 7.65 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 20 G 7.57 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 H 7.47 4.79 0.00 3.03 3.27 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.94 5.19 0.00 3.12 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 23 L 9.12 4.42 0.00 1.81 1.54 0.91 0.58 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 24 R 9.47 4.82 0.00 1.91 2.04 0.00 3.16 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 25 I 8.30 4.35 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.73 0.89 0.00 0.00 26 L 8.52 4.09 0.00 1.92 1.52 0.92 0.99 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 27 P 0.00 4.20 0.00 2.00 2.11 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 1.97 0.00 28 D 7.93 4.49 0.00 2.79 2.78 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 29 G 8.35 4.15 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 30 T 8.26 4.38 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 1.22 0.00 0.00 31 I 7.99 5.02 1.89 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 1.52 0.94 0.95 0.00 0.00 32 D 8.44 4.58 0.00 2.85 2.77 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 0.00 0.00 0.00 0.00 33 G 8.51 4.56 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 0.00 34 T 8.80 5.01 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 8.80 4.34 0.00 1.88 2.00 0.00 3.21 0.00 0.00 3.07 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 36 D 8.25 4.56 0.00 2.82 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 37 R 8.61 3.73 0.00 1.82 1.82 0.00 3.47 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.79 0.00 38 S 8.74 4.40 0.00 3.90 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 39 D 7.71 4.36 0.00 2.80 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 4.39 0.00 1.86 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.06 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 41 H 9.32 4.90 0.00 3.30 3.45 0.00 5.78 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 42 I 7.18 4.52 1.88 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.90 0.98 0.00 0.00 43 Q 7.78 4.28 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 44 L 8.93 5.27 0.00 1.60 1.45 0.82 0.82 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 45 Q 9.26 4.79 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 46 L 8.69 5.37 0.00 1.83 1.73 0.91 1.05 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 47 S 8.50 4.47 0.00 3.82 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 48 A 7.93 4.63 1.02 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 49 E 8.91 4.03 0.00 1.42 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 0.00 2.02 2.20 0.00 50 S 7.40 4.61 0.00 3.97 3.68 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 51 V 8.36 3.78 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 0.95 0.00 0.00 1.02 0.00 0.00 52 G 9.24 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 0.00 0.00 0.00 53 E 8.49 5.14 0.00 1.87 1.75 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 2.22 2.27 0.00 54 V 8.99 4.91 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 0.81 0.00 0.00 1.26 0.00 0.00 55 Y 8.60 5.60 0.00 3.03 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.58 4.71 1.73 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.63 0.69 0.00 0.00 57 K 8.70 4.80 0.00 1.25 1.47 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.58 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.02 1.07 7.81 58 S 8.68 4.58 0.00 3.89 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 59 T 8.59 3.87 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 1.22 0.00 0.00 60 E 8.38 4.04 0.00 1.97 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 2.28 2.36 0.00 61 T 8.18 4.32 4.24 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 1.24 0.00 0.00 62 G 8.20 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 0.00 0.00 0.00 63 Q 7.56 4.41 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.75 0.00 0.00 0.00 0.00 0.00 2.53 2.34 0.00 64 Y 9.17 4.69 0.00 2.79 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 65 L 9.08 4.36 0.00 1.61 1.52 0.82 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.56 4.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.60 5.39 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.74 0.00 68 D 9.40 5.27 0.00 2.96 2.87 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 69 T 8.60 4.09 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 1.27 0.00 0.00 70 D 8.68 4.84 0.00 2.70 2.62 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 71 G 8.46 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 4.72 0.00 1.88 1.64 0.91 0.61 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 73 L 8.58 4.98 0.00 1.58 1.63 0.93 0.94 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 74 Y 9.11 5.00 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.94 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 0.00 0.00 0.00 0.00 76 S 9.12 5.09 0.00 3.82 3.71 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 77 Q 9.04 4.06 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.54 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 78 T 7.49 4.67 4.15 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 1.21 0.00 0.00 79 P 0.00 3.44 0.00 1.53 0.49 0.00 3.48 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 80 N 8.03 4.97 0.00 2.89 2.90 0.00 0.00 6.02 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 81 E 8.70 3.96 0.00 2.04 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 0.00 2.25 2.25 0.00 82 E 8.99 4.20 0.00 2.27 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 0.00 2.38 2.34 0.00 83 C 7.90 4.86 0.00 3.20 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 84 L 7.32 4.62 0.00 1.41 1.40 0.79 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.94 5.27 0.00 3.12 3.11 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 0.00 0.00 0.00 86 L 9.20 4.82 0.00 1.53 1.63 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.92 4.51 0.00 2.15 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 2.19 1.89 0.00 88 R 8.64 4.82 0.00 1.79 1.81 0.00 3.16 0.00 0.00 2.89 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 89 L 8.64 4.68 0.00 1.52 1.61 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.10 4.72 0.00 2.26 1.87 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 2.30 2.44 0.00 91 E 9.76 4.02 0.00 2.40 2.15 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 2.29 2.39 0.00 92 N 8.57 4.33 0.00 2.85 2.89 0.00 0.00 6.86 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 8.72 4.84 0.00 2.89 2.98 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 7.90 4.65 0.00 3.04 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 95 N 9.67 5.63 0.00 3.00 2.59 0.00 0.00 6.96 6.98 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 96 T 8.81 5.28 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 1.38 0.00 0.00 97 Y 8.72 5.00 0.00 2.80 2.79 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 98 I 8.57 4.64 1.70 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.48 0.62 0.00 0.00 99 S 9.09 4.10 0.00 4.09 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 0.00 100 K 8.90 3.98 0.00 1.72 1.68 0.00 1.62 0.00 0.00 1.47 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.32 7.81 101 K 7.94 3.82 0.00 1.74 1.68 0.00 1.51 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.27 1.05 7.81 102 H 7.84 4.80 0.00 2.97 2.03 0.00 5.68 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 0.00 103 A 7.77 3.98 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 0.00 104 E 8.02 3.72 0.00 2.00 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 2.15 2.20 0.00 105 K 7.54 4.23 0.00 1.13 1.78 0.00 1.70 0.00 0.00 1.51 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.18 7.81 106 N 7.68 3.87 0.00 3.02 2.94 0.00 0.00 6.90 7.20 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 0.00 107 W 7.71 4.94 0.00 3.27 3.12 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 0.00 108 F 9.31 5.38 0.00 2.84 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 0.00 109 V 8.76 4.04 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 0.47 0.00 0.00 0.47 0.00 0.00 110 G 8.62 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 0.00 0.00 0.00 0.00 111 L 8.57 5.29 0.00 1.45 1.44 1.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.00 4.23 0.00 1.92 1.67 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.34 7.81 113 K 8.44 3.88 0.00 1.70 1.85 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 114 N 8.08 4.56 0.00 2.78 2.89 0.00 0.00 6.16 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 8.24 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 0.00 116 S 7.99 4.81 0.00 4.00 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 8.27 4.76 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 8.81 4.43 0.00 1.57 1.68 0.00 1.61 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 119 R 8.55 4.00 0.00 1.79 1.62 0.00 3.25 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.48 0.00 120 G 8.82 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 0.00 0.00 0.00 121 P 0.00 4.11 0.00 1.88 2.15 0.00 3.01 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 122 R 7.80 4.26 0.00 1.81 1.92 0.00 3.28 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 123 T 7.68 5.07 4.30 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 1.27 0.00 0.00 124 H 7.85 4.69 0.00 3.44 3.52 0.00 5.67 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 0.00 125 Y 8.75 3.96 0.00 3.13 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 9.05 4.09 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 0.00 0.00 0.00 127 Q 7.47 4.31 0.00 1.82 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.76 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 128 K 8.26 3.81 0.00 1.77 1.63 0.00 1.52 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.26 7.81 129 A 8.09 4.03 1.18 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 0.00 130 I 7.24 4.35 1.63 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.40 0.50 0.00 0.00 131 L 7.22 4.41 0.00 1.01 0.77 0.25 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.39 5.47 0.00 3.40 3.11 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 0.00 0.00 0.00 133 L 9.27 5.25 0.00 1.94 1.74 0.76 1.46 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 0.00 134 P 0.00 5.11 0.00 2.15 2.22 0.00 3.81 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 2.02 2.07 0.00 135 L 9.19 4.91 0.00 1.65 1.63 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.63 0.00 1.93 1.98 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 137 V 8.17 3.81 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 0.63 0.00 0.00 0.91 0.00 0.00