NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 A 4.1088 8.1227 123.5984 50.4689 19.2316 181.5336 14 E 2.7900 8.0420 117.1327 59.8307 31.0836 174.6991 15 A 3.9606 7.8426 120.9925 55.1327 20.1391 179.7062 16 G 4.3839 7.7045 103.5311 48.1567 0.0000 175.2890 17 I 3.7428 6.6980 117.1017 64.2162 37.2459 177.1279 18 T 3.9879 7.2640 115.4735 63.8432 69.2468 174.4612 19 G 3.4598 7.3436 112.2152 44.8360 0.0000 171.4743 20 T 4.6937 7.4846 117.4555 61.4131 70.8428 174.2281 21 W 4.7837 7.9986 124.4271 54.8794 33.4405 173.8765 22 Y 5.4397 9.3320 120.8677 56.4380 40.5099 174.8740 23 N 5.5846 9.0243 120.5099 50.1177 40.2278 175.3055 24 Q 4.2167 8.8007 115.7284 59.0078 28.5840 177.0455 25 L 4.4379 7.6752 117.2307 54.3679 41.6661 177.4162 26 G 4.0612 8.3292 108.6057 45.2021 0.0000 174.4431 27 S 4.8312 8.3461 115.8684 58.8043 64.4388 173.3868 28 T 5.1553 8.6681 118.4695 61.7491 72.0785 173.1740 29 F 5.2129 8.8129 119.6241 55.0747 42.0102 173.4049 30 I 4.7981 8.5026 121.5247 59.5440 39.6222 175.0816 31 V 4.8660 8.5738 125.8671 60.2609 35.3000 174.3084 32 T 4.7646 8.8966 120.0157 61.9748 70.6128 173.3380 33 A 4.6344 8.7181 129.4421 50.5448 20.0525 176.8281 34 G 4.0368 9.1852 110.3910 45.2293 0.0000 174.3289 35 A 4.6505 8.7556 123.3560 54.5486 18.6820 179.1990 36 D 4.6253 7.9238 114.2617 54.1961 40.9351 177.6311 37 G 3.2329 7.8388 106.9709 44.6754 0.0000 172.9203 38 A 4.7201 7.7770 121.7895 51.1482 20.7022 176.2342 39 L 5.3909 8.8702 121.5220 53.1795 44.8303 175.8786 40 T 5.0125 8.8555 112.6417 59.3677 72.3675 174.0534 41 G 4.3683 7.7158 110.6242 46.5010 0.0000 171.7171 42 T 5.0955 8.0105 112.3157 60.2673 72.8688 172.6338 43 Y 5.1769 9.2104 125.2794 55.7983 41.4819 173.9709 44 E 5.8778 8.6987 124.5717 53.8999 31.7860 176.6059 45 S 4.3821 9.7733 120.9843 60.6325 63.4202 174.0277 46 A 4.1741 8.0630 117.3740 53.3052 22.1075 175.1770 47 V 3.4060 10.0118 120.0582 65.6259 31.3715 174.5870 48 G 4.3638 8.7355 105.6595 45.3775 0.0000 173.0954 49 N 4.8900 7.8423 113.9691 50.7825 40.7882 175.4794 50 A 3.8560 8.7207 123.8954 55.2654 18.4957 179.5279 51 E 3.1219 7.4841 112.4665 58.2369 29.8296 177.5364 52 S 4.8843 8.0969 113.8719 58.1615 64.4768 173.3331 53 R 5.1342 7.6165 120.2129 55.5270 31.0157 175.4707 54 Y 4.7517 9.0663 121.5131 55.6260 41.8249 175.3710 55 V 4.2111 8.6159 123.3062 63.1027 32.4605 175.0431 56 L 5.1511 8.7017 127.6703 53.7431 43.7558 175.1416 57 T 4.9599 8.1935 113.4728 61.4026 71.1467 172.9820 58 G 4.4627 8.6779 113.4606 46.2119 0.0000 171.8066 59 R 5.5176 8.8894 117.5347 54.7418 34.7827 174.1644 60 Y 5.2009 8.7207 119.0654 55.4138 41.4851 174.8707 61 D 4.6011 8.9189 121.5639 52.2615 41.8352 175.5493 62 S 4.2594 8.3206 120.5333 58.0941 62.9117 173.3567 63 A 4.5807 8.4104 129.9738 49.2404 21.5551 172.8443 64 P 4.1989 0.0000 0.0000 63.2188 30.8383 175.3366 65 A 4.7241 8.4715 126.3156 50.5812 21.1059 175.5768 66 T 4.5490 8.6138 111.8611 61.5543 69.4804 174.6721 67 D 4.6573 7.6252 119.1761 53.2045 40.4179 175.4685 68 G 3.9360 8.5158 105.2542 46.9443 0.0000 174.7088 69 S 4.2809 8.0907 114.6152 58.0347 63.4088 174.5284 70 G 4.2615 8.2520 109.7839 46.1002 0.0000 173.0534 71 T 4.6713 8.8334 118.3638 62.2117 69.9377 174.4143 72 A 4.9160 8.7355 129.3364 51.9873 20.0263 176.0136 73 L 5.1322 9.0108 121.4109 55.1479 44.9859 174.5955 74 G 5.0818 8.8755 103.4511 45.5434 0.0000 172.5670 75 W 5.8274 7.9726 118.4419 55.2197 32.2967 173.3682 76 T 5.1863 9.1751 116.6551 61.7722 71.8421 173.3826 77 V 4.4167 8.6856 124.6213 60.9169 34.4667 173.9108 78 A 4.4783 8.3239 129.5469 49.8922 20.0386 178.1189 79 W 4.3451 8.4940 125.8686 55.0782 27.9244 176.2089 80 K 5.2824 7.9337 118.2572 54.8459 35.3267 174.4403 81 N 4.9530 9.0294 125.4346 52.2634 39.0247 173.9852 82 N 4.6852 9.0361 114.4622 55.0052 38.9889 174.8032 83 Y 4.7423 8.6376 114.6317 57.2850 39.8569 175.4669 84 R 4.5250 7.6294 118.3539 55.4747 32.9617 172.9869 85 N 5.2001 8.7478 122.5265 52.1927 39.9593 172.8669 86 A 4.4829 9.3152 127.5914 51.4910 19.3400 176.7961 87 H 4.0484 8.1854 113.7786 56.6513 26.8949 173.8517 88 S 5.1990 7.4984 110.2325 58.0739 66.3983 174.5943 89 A 4.9519 8.7962 121.2520 50.8100 22.9428 175.2049 90 T 4.9861 8.6096 117.0858 61.7408 71.9910 173.2032 91 T 4.9647 8.5310 116.0699 59.6820 71.7286 173.0972 92 W 5.0497 8.6481 124.2156 54.8238 32.2004 174.5555 93 S 4.9333 8.6350 118.6690 56.5608 64.6750 172.4068 94 G 4.9474 8.7592 114.1774 47.0182 0.0000 171.7371 95 Q 5.8112 8.1054 119.0185 54.4151 32.6450 173.7914 96 Y 4.7665 8.7876 123.0788 57.2981 40.7115 173.8949 97 V 4.2463 8.1848 126.3988 61.0545 34.3639 175.9521 98 G 4.0931 8.0189 117.4432 43.9690 0.0000 170.2659 99 G 3.7927 8.8550 103.1752 43.9546 0.0000 172.5799 100 A 4.1244 8.7977 121.5735 55.0525 18.6047 178.8011 101 E 4.5890 7.6667 112.7430 54.0946 28.9156 174.9387 102 A 4.5542 8.1436 126.2114 52.6514 19.7361 177.2368 103 R 5.3321 8.3046 117.2656 54.8075 33.9918 173.8614 104 I 4.8792 8.5928 120.4782 59.8511 39.9071 174.3293 105 N 5.4396 8.9572 125.6703 51.9935 40.4609 174.5731 106 T 5.3075 8.9974 112.5313 60.3385 73.1593 172.5975 107 Q 4.9524 9.0330 120.7570 53.9254 32.7689 174.7261 108 W 5.4285 8.4705 118.0275 54.8857 32.3596 173.8242 109 L 5.2297 8.7519 120.1534 52.9637 45.1684 175.1882 110 L 4.9558 9.1515 126.2517 53.7811 44.2230 174.8813 111 T 5.1581 8.6809 123.5476 62.0449 70.9150 173.9223 112 S 5.1553 8.6378 122.2952 56.5880 65.0562 174.4373 113 G 3.8580 8.7892 111.7494 46.6915 0.0000 173.0187 114 T 4.8072 8.3653 114.3002 59.3675 72.4112 173.2677 115 T 4.3942 8.0131 111.4663 61.1842 69.2836 175.4478 116 E 4.0862 8.6469 121.0060 59.0105 29.2219 179.2625 117 A 4.2425 8.1079 119.7538 54.0857 18.8187 178.0265 118 N 4.6949 8.0276 113.0617 52.9236 39.2401 176.3159 119 A 4.2375 7.8901 124.8607 54.3654 18.2041 179.9296 120 W 4.3256 8.3417 113.5170 58.2132 28.2522 176.6358 121 K 4.1170 6.6228 119.1944 56.0992 32.3342 177.3317 122 S 4.1994 7.9416 115.5888 61.1246 63.5903 173.3515 123 T 5.0436 7.4315 117.1178 61.9203 71.4102 173.4169 124 L 4.7149 8.7777 127.0289 53.5568 43.8657 176.1941 125 V 4.3259 7.6398 120.3806 60.3368 34.3808 175.7300 126 G 3.3613 6.0780 106.8021 46.2819 0.0000 171.5678 127 H 5.4054 8.1578 114.9301 54.3490 31.9194 172.7903 128 D 5.1902 9.1368 118.8968 53.1315 45.3242 174.3818 129 T 5.2477 8.5639 118.4520 61.9707 71.3752 173.3302 130 F 5.4802 9.5505 124.8602 56.0789 42.2303 174.6572 131 T 5.4559 9.2180 111.7009 60.0625 72.3304 174.6714 132 K 3.8605 8.7850 119.6443 57.0470 32.6447 177.5782 133 V 3.9511 7.6395 123.5028 62.8378 31.6800 174.8054 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 13 A 8.12 4.11 1.01 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 0.00 0.00 14 E 8.04 2.79 0.00 2.23 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 2.25 2.40 0.00 15 A 7.84 3.96 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 16 G 7.70 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 0.00 0.00 0.00 0.00 17 I 6.70 3.74 1.51 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 -0.36 0.60 0.00 0.00 18 T 7.26 3.99 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 1.14 0.00 0.00 19 G 7.34 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.48 4.69 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 0.59 0.00 0.00 21 W 8.00 4.78 0.00 1.78 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 22 Y 9.33 5.44 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 23 N 9.02 5.58 0.00 2.51 2.04 0.00 0.00 6.83 7.63 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 24 Q 8.80 4.22 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.30 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 25 L 7.68 4.44 0.00 2.07 1.78 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.33 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 0.00 0.00 0.00 0.00 27 S 8.35 4.83 0.00 4.12 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 28 T 8.67 5.16 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 0.90 0.00 0.00 29 F 8.81 5.21 0.00 2.90 2.54 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 30 I 8.50 4.80 1.80 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 1.09 0.52 0.81 0.00 0.00 31 V 8.57 4.87 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 0.75 0.00 0.00 0.82 0.00 0.00 32 T 8.90 4.76 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 1.18 0.00 0.00 33 A 8.72 4.63 0.80 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 0.00 0.00 34 G 9.19 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.76 4.65 1.32 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 0.00 0.00 0.00 36 D 7.92 4.63 0.00 2.66 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 G 7.84 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 0.00 0.00 0.00 38 A 7.78 4.72 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 39 L 8.87 5.39 0.00 1.61 1.50 1.07 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.86 5.01 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 1.22 0.00 0.00 41 G 7.72 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 0.00 0.00 0.00 0.00 42 T 8.01 5.10 4.35 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 1.21 0.00 0.00 43 Y 9.21 5.18 0.00 3.01 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 44 E 8.70 5.88 0.00 2.08 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 2.24 2.07 0.00 45 S 9.77 4.38 0.00 3.95 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 46 A 8.06 4.17 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 47 V 10.01 3.41 2.37 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 0.78 0.00 0.00 0.95 0.00 0.00 48 G 8.74 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.84 4.89 0.00 2.75 2.84 0.00 0.00 5.95 7.08 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 50 A 8.72 3.86 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 51 E 7.48 3.12 0.00 1.86 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.11 0.00 52 S 8.10 4.88 0.00 4.08 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.62 5.13 0.00 1.76 1.87 0.00 3.09 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 54 Y 9.07 4.75 0.00 2.95 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 55 V 8.62 4.21 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 0.79 0.00 0.00 0.94 0.00 0.00 56 L 8.70 5.15 0.00 1.89 1.64 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.19 4.96 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 1.23 0.00 0.00 58 G 8.68 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.89 5.52 0.00 1.73 1.75 0.00 3.37 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 60 Y 8.72 5.20 0.00 2.97 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 61 D 8.92 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 62 S 8.32 4.26 0.00 3.80 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 63 A 8.41 4.58 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.20 0.00 2.20 2.16 0.00 3.73 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 2.01 1.99 0.00 65 A 8.47 4.72 1.27 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 0.00 0.00 0.00 66 T 8.61 4.55 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 1.23 0.00 0.00 67 D 7.63 4.66 0.00 2.75 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.52 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 69 S 8.09 4.28 0.00 3.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.25 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 0.00 0.00 0.00 0.00 71 T 8.83 4.67 4.54 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 1.49 0.00 0.00 72 A 8.74 4.92 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 9.01 5.13 0.00 2.00 1.95 1.22 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.88 5.08 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 75 W 7.97 5.83 0.00 3.32 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 76 T 9.18 5.19 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 1.19 0.00 0.00 77 V 8.69 4.42 1.27 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 -0.20 0.00 0.00 0.71 0.00 0.00 78 A 8.32 4.48 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.49 4.35 0.00 3.40 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.93 5.28 0.00 1.75 1.73 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.49 7.81 81 N 9.03 4.95 0.00 2.66 2.40 0.00 0.00 6.88 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 82 N 9.04 4.69 0.00 2.97 2.80 0.00 0.00 6.56 7.54 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 83 Y 8.64 4.74 0.00 2.84 2.95 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 84 R 7.63 4.53 0.00 2.02 2.11 0.00 3.28 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.85 0.00 85 N 8.75 5.20 0.00 2.73 2.76 0.00 0.00 6.98 7.97 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 86 A 9.32 4.48 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.19 4.05 0.00 3.36 3.36 0.00 5.85 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.50 5.20 0.00 4.06 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 89 A 8.80 4.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.61 4.99 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 -0.47 0.00 0.00 91 T 8.53 4.96 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 92 W 8.65 5.05 0.00 1.78 2.20 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 93 S 8.64 4.93 0.00 3.81 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 94 G 8.76 4.95 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 95 Q 8.11 5.81 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 7.07 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 96 Y 8.79 4.77 0.00 3.06 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 97 V 8.18 4.25 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 0.83 0.00 0.00 0.89 0.00 0.00 98 G 8.02 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 99 G 8.85 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 0.00 0.00 0.00 100 A 8.80 4.12 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.67 4.59 0.00 2.09 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 2.18 2.28 0.00 102 A 8.14 4.55 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.30 5.33 0.00 2.07 2.12 0.00 3.14 0.00 0.00 3.53 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 104 I 8.59 4.88 1.76 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.36 1.10 0.00 0.00 105 N 8.96 5.44 0.00 2.82 2.81 0.00 0.00 6.13 7.19 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 0.00 106 T 9.00 5.31 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 1.52 0.00 0.00 107 Q 9.03 4.95 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.62 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 108 W 8.47 5.43 0.00 2.53 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 0.00 109 L 8.75 5.23 0.00 1.52 1.53 0.87 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.15 4.96 0.00 1.62 1.69 0.94 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.68 5.16 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 1.19 0.00 0.00 112 S 8.64 5.16 0.00 3.70 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 0.00 113 G 8.79 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.37 4.81 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 1.20 0.00 0.00 115 T 8.01 4.39 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 1.21 0.00 0.00 116 E 8.65 4.09 0.00 2.02 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 2.41 2.33 0.00 117 A 8.11 4.24 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.03 4.69 0.00 2.69 2.68 0.00 0.00 6.69 6.79 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 0.00 119 A 7.89 4.24 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 8.34 4.33 0.00 3.58 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 0.00 121 K 6.62 4.12 0.00 1.19 0.74 0.00 1.19 0.00 0.00 1.15 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 0.76 7.81 122 S 7.94 4.20 0.00 4.12 4.11 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 0.00 123 T 7.43 5.04 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 1.23 0.00 0.00 124 L 8.78 4.71 0.00 1.84 1.73 0.97 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.64 4.33 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 0.56 0.00 0.00 0.68 0.00 0.00 126 G 6.08 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.16 5.41 0.00 3.23 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.14 5.19 0.00 2.89 2.20 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 0.00 129 T 8.56 5.25 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 1.35 0.00 0.00 130 F 9.55 5.48 0.00 3.11 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 9.22 5.46 4.40 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 1.39 0.00 0.00 132 K 8.78 3.86 0.00 1.58 1.56 0.00 1.16 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 1.01 7.81 133 V 7.64 3.95 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 0.76 0.00 0.00 0.90 0.00 0.00