NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.9045 8.0244 114.2724 62.9249 38.4156 176.8288 4 K 3.4974 7.9133 113.8183 57.2135 30.1146 169.9996 5 E 4.1352 9.1256 125.3039 56.0097 31.1102 176.8533 6 L 4.4885 8.3016 122.1828 55.0649 42.8343 176.2323 7 H 4.4106 9.3817 123.8506 56.0642 30.9213 174.0652 8 V 4.5314 8.4786 126.5225 61.8529 32.6032 174.9458 9 K 4.5472 9.1223 128.0770 54.9416 34.7721 175.3503 10 T 4.6967 8.4917 122.6421 62.5912 68.9708 174.6849 11 V 4.5659 8.3775 119.5049 59.3195 36.1562 174.9737 12 K 4.6135 8.6363 120.6187 54.0485 34.6478 176.2365 13 R 4.3776 8.7302 121.9327 58.5247 30.0934 176.8113 14 G 4.0161 9.1965 114.5883 44.8555 0.0000 173.1737 15 E 4.1829 8.2924 121.1937 56.2815 31.0120 174.9698 16 N 5.3086 8.5055 121.3900 51.7312 40.5601 174.5614 17 V 4.4282 8.5743 122.2922 61.3356 35.4253 174.2974 18 T 4.8751 8.1890 121.4895 62.0832 71.9009 172.9174 19 M 4.5585 8.8003 126.3678 53.5715 34.4804 174.8950 20 E 5.2243 8.8948 122.5198 55.5503 31.6784 176.1234 21 C 5.0598 9.4722 122.4383 55.0026 46.1937 172.6500 22 S 5.0777 8.7227 122.0942 57.5552 63.6491 175.0800 23 M 4.1475 9.1979 126.0003 58.0610 32.2805 178.1541 24 S 4.2317 7.9964 112.0049 60.1034 63.4656 174.6259 25 K 4.1576 7.3969 119.4880 56.6827 32.4240 176.2878 26 V 4.0082 7.2064 118.6783 62.6055 32.1438 175.4732 27 K 3.9181 8.9805 129.2265 58.5034 32.5352 176.3267 28 D 4.6003 8.5421 121.5130 51.9009 42.6843 176.0646 29 K 3.5965 8.2482 127.3813 59.0845 32.1818 179.3907 30 D 4.5262 7.8665 117.6952 56.7082 40.9410 177.2479 31 K 4.3324 8.0564 117.4201 55.8781 32.4172 174.8620 32 L 4.9889 7.5398 122.5712 53.6524 43.6914 175.2138 33 A 5.2387 8.8347 125.9792 50.9398 23.3903 174.8030 34 W 5.3707 9.1049 119.5529 55.6428 31.6017 175.2142 35 Y 5.3830 9.8068 120.9284 56.3264 41.1165 174.4095 36 R 4.5100 9.5174 124.3696 54.4745 32.9114 174.3877 37 Q 4.6998 8.7190 127.9074 54.1127 31.0179 174.9211 38 S 4.6130 8.3953 122.5877 57.6690 64.6517 173.8198 39 F 4.1154 8.7986 124.0445 60.0039 39.3088 175.4591 40 G 3.6430 8.2259 114.9573 45.5960 0.0000 172.7444 41 K 4.6220 7.4583 117.9521 53.6657 34.9003 176.1150 42 V 3.8565 8.0938 120.5519 62.3572 31.9943 174.1046 43 P 4.8315 0.0000 0.0000 63.3316 32.2538 175.4658 44 Q 4.9255 9.3260 123.3948 54.4367 32.8157 173.6869 45 Y 4.4211 9.0884 124.7334 57.1683 38.9984 176.0677 46 F 4.5306 8.6767 115.2183 56.2570 40.5082 174.8135 47 V 5.0215 6.8462 118.3848 60.2258 34.6288 173.6732 48 R 5.4012 9.3293 119.3984 54.2130 33.3752 173.8148 49 Y 4.8714 8.7368 121.4722 58.3464 39.6939 174.6230 50 Y 4.4050 7.7021 125.4044 55.8655 42.9686 174.3929 51 S 4.0040 7.5464 120.9131 58.1762 61.2567 172.7515 52 S 4.5982 7.7416 120.0553 57.0820 65.2883 175.0506 53 N 4.4718 8.8724 118.2142 56.7469 38.5065 177.2515 54 S 4.1675 8.0647 113.0630 61.5589 63.1618 175.5481 55 G 4.3217 10.2139 107.9048 44.6836 0.0000 171.8114 56 Y 5.4918 6.7982 114.9361 55.9910 40.7479 174.0367 57 K 4.5158 9.0081 119.3368 54.6643 36.5866 176.1651 58 F 5.0314 8.7773 121.6971 56.8790 40.2929 175.3614 59 A 4.2598 8.8419 123.1600 50.9665 19.4973 176.9647 60 E 4.0528 8.8089 120.4481 58.1772 29.8780 177.8703 61 G 3.9349 8.9970 113.7163 45.2902 0.0000 172.6652 62 F 4.3581 7.9516 122.4129 56.6782 40.1115 175.1706 63 K 3.8788 7.1788 126.5801 54.7916 35.0161 175.7575 64 D 4.0560 7.4162 124.4599 52.9876 42.4327 175.7002 65 S 4.3534 8.4996 121.9394 60.1078 63.3629 175.2758 66 R 4.2251 8.5572 120.4391 57.6343 30.3739 175.7147 67 F 5.2327 8.1877 117.5976 56.5263 40.4932 175.2867 68 S 4.8787 8.8872 116.5015 57.7399 67.0797 172.3511 69 M 4.8006 7.1899 118.0336 53.6570 35.4966 175.8522 70 T 4.3730 8.6853 120.2726 62.5043 69.7916 173.8742 71 V 5.1517 8.3691 126.9717 61.3099 33.4964 174.3875 72 N 4.9480 8.8652 125.0571 52.5168 39.4933 174.3455 73 D 4.6200 8.9214 116.4601 57.5096 41.2873 177.0492 74 Q 4.5365 8.0724 117.7881 56.3040 31.0718 176.1385 75 K 5.0892 8.7932 117.3147 54.0697 35.8955 175.8011 76 F 5.5846 8.9197 123.8278 56.7838 38.3110 173.4290 77 D 5.1470 8.7947 121.4994 52.7109 43.6460 176.3996 78 L 4.2592 8.2889 125.5492 53.6935 43.7244 174.7341 79 N 5.2580 8.9066 123.8691 51.3940 41.7468 173.6632 80 I 4.5226 8.2897 123.5446 59.4192 40.3679 174.5117 81 I 4.2531 8.5300 129.2810 60.3017 37.7820 176.2709 82 G 3.5692 8.8417 116.8610 46.2330 0.0000 173.4032 83 T 4.1854 8.0752 113.7132 62.4641 68.6655 172.6874 84 R 4.8898 8.8108 123.9346 54.4798 34.7832 176.1869 85 E 2.7241 8.0911 117.6880 58.8203 29.3932 179.4193 86 D 4.3668 7.8244 117.2269 55.8802 39.3848 176.8677 87 D 4.7449 8.3262 118.6415 54.7162 41.3297 176.9829 88 G 4.0340 7.9659 109.2666 45.1973 0.0000 174.6199 89 G 3.7897 7.3538 109.9891 45.0983 0.0000 170.7459 90 E 5.2224 8.0192 119.4698 54.6966 33.2993 174.9610 91 Y 4.9869 9.0672 120.6156 56.2164 41.8624 174.5511 92 F 5.5993 9.5015 122.1517 55.9169 43.3032 172.9838 93 C 4.6944 9.0891 123.7768 54.8671 44.9842 172.6471 94 G 4.4303 9.4513 113.2125 44.3331 0.0000 170.4847 95 E 5.1513 8.6519 124.0481 53.6696 31.9693 175.3486 96 V 3.8638 8.4096 128.0832 63.2190 31.9752 176.1214 97 E 4.4972 9.0347 127.5562 54.5244 31.5573 178.7119 98 G 3.8461 8.5887 116.9022 46.7850 0.0000 172.4486 99 N 4.6326 9.3022 121.3210 53.5895 39.7143 174.1487 100 T 4.6399 7.4519 107.0302 59.7705 72.2153 172.0253 101 I 4.5880 7.8292 121.2309 58.9128 40.4862 174.1985 102 K 4.2863 8.2680 129.1019 54.5309 34.4296 174.6540 103 F 5.1047 8.5099 126.9180 56.9080 39.2010 175.9538 104 T 4.3086 8.7521 114.6442 62.7140 69.9191 174.5179 105 S 4.7303 7.7009 115.3071 57.9903 66.2280 173.5532 106 G 4.7177 8.4302 105.9951 46.1967 0.0000 172.0394 107 T 5.3707 9.4206 117.0517 61.6180 72.8565 173.0366 108 R 4.9487 9.0420 126.3738 54.9449 32.2063 174.4717 109 L 5.0638 9.2629 129.8003 53.6130 43.6962 174.9952 110 Q 5.1041 8.9354 124.2706 54.3731 32.3904 175.7680 111 F 4.7419 8.8580 117.6091 56.9794 39.4078 175.6041 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 3 I 8.02 3.90 1.87 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 1.29 1.13 0.91 0.00 0.00 4 K 7.91 3.50 0.00 1.90 1.90 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.65 7.81 5 E 9.13 4.14 0.00 2.02 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 2.34 2.36 0.00 6 L 8.30 4.49 0.00 1.64 1.74 1.11 1.36 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 7 H 9.38 4.41 0.00 3.27 3.23 0.00 5.57 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.48 4.53 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 0.88 0.00 0.00 0.98 0.00 0.00 9 K 9.12 4.55 0.00 1.59 1.57 0.00 1.53 0.00 0.00 1.49 0.00 0.00 2.37 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.25 1.30 7.81 10 T 8.49 4.70 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 1.15 0.00 0.00 11 V 8.38 4.57 1.78 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 0.63 0.00 0.00 -0.05 0.00 0.00 12 K 8.64 4.61 0.00 1.79 1.71 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.30 7.81 13 R 8.73 4.38 0.00 1.83 1.91 0.00 3.34 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 14 G 9.20 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 15 E 8.29 4.18 0.00 2.13 1.82 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 2.23 2.24 0.00 16 N 8.51 5.31 0.00 2.58 2.64 0.00 0.00 6.65 7.68 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 17 V 8.57 4.43 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 0.80 0.00 0.00 0.77 0.00 0.00 18 T 8.19 4.88 4.14 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 1.12 0.00 0.00 19 M 8.80 4.56 0.00 1.65 1.16 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 20 E 8.89 5.22 0.00 1.98 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 2.30 2.32 0.00 21 C 9.47 5.06 0.00 3.04 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 8.72 5.08 0.00 3.85 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 23 M 9.20 4.15 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.71 0.00 24 S 8.00 4.23 0.00 4.01 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 25 K 7.40 4.16 0.00 1.76 1.82 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.34 7.81 26 V 7.21 4.01 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 0.61 0.00 0.00 0.88 0.00 0.00 27 K 8.98 3.92 0.00 1.70 1.92 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.31 7.81 28 D 8.54 4.60 0.00 2.54 2.38 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 29 K 8.25 3.60 0.00 1.02 0.74 0.00 1.33 0.00 0.00 0.99 0.00 0.00 2.72 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.00 1.08 7.81 30 D 7.87 4.53 0.00 2.82 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 31 K 8.06 4.33 0.00 1.85 1.88 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.29 7.81 32 L 7.54 4.99 0.00 1.46 1.19 0.73 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.83 5.24 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 34 W 9.10 5.37 0.00 2.76 2.93 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 35 Y 9.81 5.38 0.00 3.35 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 36 R 9.52 4.51 0.00 1.55 1.66 0.00 2.93 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.64 0.00 37 Q 8.72 4.70 0.00 2.12 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.67 0.00 0.00 0.00 0.00 0.00 2.21 2.49 0.00 38 S 8.40 4.61 0.00 3.83 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 39 F 8.80 4.12 0.00 3.02 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 40 G 8.23 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 41 K 7.46 4.62 0.00 1.75 1.73 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.50 7.81 42 V 8.09 3.86 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 0.86 0.00 0.00 0.97 0.00 0.00 43 P 0.00 4.83 0.00 2.22 2.31 0.00 3.78 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 2.18 2.35 0.00 44 Q 9.33 4.93 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 45 Y 9.09 4.42 0.00 1.96 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 46 F 8.68 4.53 0.00 1.80 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 47 V 6.85 5.02 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 0.27 0.00 0.00 0.58 0.00 0.00 48 R 9.33 5.40 0.00 2.00 2.07 0.00 2.81 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.70 0.00 49 Y 8.74 4.87 0.00 2.47 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 50 Y 7.70 4.40 0.00 3.02 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.55 4.00 0.00 3.75 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 7.74 4.60 0.00 4.00 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 53 N 8.87 4.47 0.00 2.72 2.96 0.00 0.00 6.93 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.06 4.17 0.00 3.57 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 55 G 10.21 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 0.00 0.00 0.00 0.00 56 Y 6.80 5.49 0.00 2.93 2.93 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 57 K 9.01 4.52 0.00 1.60 1.60 0.00 0.61 0.00 0.00 0.82 0.00 0.00 2.67 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.04 0.92 7.81 58 F 8.78 5.03 0.00 3.15 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 59 A 8.84 4.26 0.51 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 60 E 8.81 4.05 0.00 2.01 1.96 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 2.33 2.37 0.00 61 G 9.00 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 62 F 7.95 4.36 0.00 2.96 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 63 K 7.18 3.88 0.00 1.42 1.39 0.00 1.71 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.17 1.26 7.81 64 D 7.42 4.06 0.00 1.66 1.79 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 65 S 8.50 4.35 0.00 4.02 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 66 R 8.56 4.23 0.00 2.21 2.16 0.00 3.40 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 67 F 8.19 5.23 0.00 3.15 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 68 S 8.89 4.88 0.00 3.94 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 69 M 7.19 4.80 0.00 1.28 0.66 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.95 0.00 70 T 8.69 4.37 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 1.24 0.00 0.00 71 V 8.37 5.15 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 1.31 0.00 0.00 1.22 0.00 0.00 72 N 8.87 4.95 0.00 3.02 2.97 0.00 0.00 6.55 7.90 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 73 D 8.92 4.62 0.00 2.72 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 74 Q 8.07 4.54 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 75 K 8.79 5.09 0.00 1.72 1.91 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.54 7.81 76 F 8.92 5.58 0.00 2.98 3.08 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 77 D 8.79 5.15 0.00 2.63 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 78 L 8.29 4.26 0.00 0.31 0.38 0.88 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.91 5.26 0.00 2.49 2.52 0.00 0.00 6.38 7.43 0.00 0.00 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 I 8.29 4.52 1.49 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 -0.36 0.67 0.00 0.00 81 I 8.53 4.25 1.85 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 1.11 0.46 0.96 0.00 0.00 82 G 8.84 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.08 4.19 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 1.34 0.00 0.00 84 R 8.81 4.89 0.00 2.05 1.63 0.00 3.14 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 85 E 8.09 2.72 0.00 1.73 1.63 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 2.10 1.47 0.00 86 D 7.82 4.37 0.00 2.76 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 87 D 8.33 4.74 0.00 3.00 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 88 G 7.97 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 89 G 7.35 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 90 E 8.02 5.22 0.00 1.74 1.69 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 2.28 2.28 0.00 91 Y 9.07 4.99 0.00 2.91 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 92 F 9.50 5.60 0.00 2.70 2.39 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 93 C 9.09 4.69 0.00 1.23 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 94 G 9.45 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.65 5.15 0.00 1.87 1.65 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 2.07 2.08 0.00 96 V 8.41 3.86 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 0.73 0.00 0.00 0.86 0.00 0.00 97 E 9.03 4.50 0.00 1.88 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 2.11 2.24 0.00 98 G 8.59 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 0.00 0.00 0.00 99 N 9.30 4.63 0.00 2.69 2.84 0.00 0.00 6.55 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 0.00 100 T 7.45 4.64 4.14 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 1.16 0.00 0.00 101 I 7.83 4.59 1.54 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.67 0.24 0.00 0.00 102 K 8.27 4.29 0.00 1.83 1.46 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 1.29 7.81 103 F 8.51 5.10 0.00 2.89 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 0.00 104 T 8.75 4.31 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 1.16 0.00 0.00 105 S 7.70 4.73 0.00 4.00 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 0.00 106 G 8.43 4.72 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 0.00 107 T 9.42 5.37 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 1.26 0.00 0.00 108 R 9.04 4.95 0.00 1.99 1.87 0.00 3.14 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 109 L 9.26 5.06 0.00 1.92 1.70 0.72 0.33 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 0.00 110 Q 8.94 5.10 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.52 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 111 F 8.86 4.74 0.00 3.02 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