NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.1803 8.0093 121.4365 61.5123 37.7888 174.6061 5 N 4.8866 7.7824 117.5587 49.9337 38.8308 173.5512 6 T 4.6338 8.4159 110.6798 60.6634 73.0758 176.2974 7 F 4.1912 8.3772 120.5864 60.9848 39.0078 177.7035 8 D 4.5232 8.3320 117.9316 57.4219 40.7329 178.8557 9 G 3.6737 8.2183 106.1872 47.8768 0.0000 175.9173 10 V 3.6316 8.4152 120.8380 65.4903 31.4835 177.7012 11 A 4.0893 8.4168 120.9622 55.6877 18.2872 179.2028 12 D 4.3556 8.8947 117.4870 57.7957 40.8913 178.7480 13 Y 4.1444 8.0594 119.5110 60.7458 38.8806 177.8407 14 L 4.3005 8.3561 121.6357 57.3071 41.5157 179.3008 15 Q 3.9396 7.5649 116.5011 58.0693 29.0145 178.3200 16 T 3.6143 7.5411 116.2165 66.4306 67.6290 175.7686 17 Y 4.0682 7.9618 117.0046 57.1879 38.1197 176.1634 18 H 2.9297 7.9147 116.1364 55.2996 26.9763 174.3397 19 K 4.8037 7.2180 116.4027 55.7919 35.3999 175.0187 20 L 4.2343 8.2640 119.8234 53.8177 42.3705 175.4865 21 P 3.9718 0.0000 0.0000 62.2666 32.0209 177.7761 22 D 4.4233 8.5750 118.9844 56.6824 39.6850 178.3405 23 N 4.5412 8.0226 113.0678 53.8056 37.4547 173.6312 24 Y 5.2171 7.4061 116.7697 56.9123 40.3337 175.0562 25 I 4.9542 8.4948 114.3780 59.6194 41.5221 174.5502 26 T 4.3635 8.7963 114.1575 61.4230 69.9978 175.5135 27 K 3.8945 8.8981 122.8302 60.1593 32.1708 179.8253 28 S 4.2642 8.1224 113.6071 61.4028 62.5628 176.1732 29 E 3.9871 8.1024 122.1632 59.1963 29.2302 179.1419 30 A 4.1200 8.4381 121.1988 55.2049 18.3638 179.7659 31 Q 4.1131 8.5321 116.5807 59.1272 28.6081 178.6706 32 A 4.0554 7.9199 120.7390 54.8607 18.4541 178.8348 33 L 4.3377 7.4634 114.2830 55.0450 42.0921 177.6730 34 G 4.0825 8.0053 107.2514 44.6097 0.0000 173.7756 35 W 4.3955 8.2363 130.5462 57.2554 31.2725 175.4001 36 V 3.7095 8.6272 125.7954 60.4943 32.1272 175.4443 37 A 3.6335 7.3428 131.3421 55.3282 18.1701 179.5211 38 S 4.3154 8.0499 112.2575 61.4108 62.9395 175.7508 39 K 4.4030 7.7832 119.4920 53.1669 32.3290 181.3618 40 G 3.2958 7.0240 107.1852 47.1555 0.0000 174.3214 41 N 4.8833 7.9705 113.9721 52.4925 37.8671 174.8031 42 L 3.9448 8.3587 124.4444 58.8958 41.6311 178.8141 43 A 3.9993 7.9797 119.1226 55.2427 18.4982 178.8592 44 D 4.4388 8.0141 116.3164 57.3638 41.0237 178.7885 45 V 4.1737 7.7741 110.0155 61.7934 33.8632 176.6590 46 A 4.6859 8.4428 121.6460 49.6070 19.6125 172.9998 47 P 4.4464 0.0000 0.0000 63.4038 32.2789 177.7198 48 G 3.9087 8.8588 110.1951 45.2360 0.0000 173.2332 49 K 5.2519 7.3276 117.8676 54.3183 34.3823 176.0191 50 S 4.5437 7.8302 116.8278 56.4464 67.3375 173.4184 51 I 4.3674 7.8859 123.0395 61.3124 38.0486 175.3440 52 G 4.1761 9.2820 111.9944 47.0029 0.0000 173.7601 53 G 4.4032 9.6289 110.1937 44.3775 0.0000 173.8675 54 D 4.7501 7.9800 119.6515 53.6563 42.4035 175.9570 55 I 4.3048 8.3739 122.4085 61.5425 38.0786 175.1029 56 F 4.7225 9.3387 129.7377 56.5399 40.0918 175.7625 57 S 3.9260 8.1044 122.9638 59.7898 63.3495 173.9510 58 N 3.9116 6.5039 119.2595 55.0712 36.8096 176.8716 59 R 3.8049 7.8999 119.2051 59.7562 30.0907 180.1804 60 E 4.2605 8.1971 112.3205 55.3144 29.8504 179.0876 61 G 4.0296 7.7741 105.3367 47.3648 0.0000 175.5175 62 K 4.0578 7.5667 120.2817 57.9966 32.2599 177.4881 63 L 3.9444 7.1231 117.8805 51.2359 43.2149 174.3321 64 P 4.1774 0.0000 0.0000 63.4005 31.1320 176.3835 65 G 4.0837 8.4205 112.1815 44.7099 0.0000 172.0565 66 K 4.3060 7.7712 117.6384 55.0626 34.8345 174.4661 67 S 4.1084 8.6090 119.7736 59.4850 62.7475 174.1516 68 G 3.7780 8.8502 115.0450 45.9569 0.0000 172.2533 69 R 4.4734 7.4525 119.9174 54.2147 31.5396 175.4361 70 T 4.5918 9.2267 117.1436 59.5907 72.4083 172.6444 71 W 5.0262 8.4891 122.4516 55.3099 31.6508 175.3323 72 R 5.0965 9.0682 122.8657 54.2052 33.7838 174.2660 73 E 5.7152 9.1322 118.3659 54.1877 33.5584 174.5421 74 A 4.9401 8.1898 119.9257 50.7131 22.6377 175.5283 75 D 4.9731 9.2997 123.1954 54.4917 40.6163 176.0769 76 I 4.3929 8.4138 122.9303 60.1523 40.6589 175.7978 77 N 4.2637 9.1222 121.7385 54.2080 36.5716 173.6308 78 Y 4.4596 7.2898 119.6234 57.1004 39.7955 174.7886 79 T 4.0488 7.3720 114.4549 62.7110 70.7964 173.4662 80 S 3.9911 7.0026 112.8834 57.7815 65.7057 174.8826 81 G 3.8450 8.4921 107.6568 45.8981 0.0000 173.4047 82 F 4.4649 8.6970 117.9944 57.1699 39.7237 175.3456 83 R 4.2495 8.7265 122.5372 56.2609 30.5925 177.0244 84 N 4.8597 8.6376 119.6281 52.3161 39.8958 174.8867 85 S 4.6796 8.5976 111.9915 58.5620 63.7380 172.3398 86 D 5.5104 8.3498 122.3219 53.3047 42.8791 175.7482 87 R 5.1778 8.7068 120.5179 54.7758 35.3918 173.7520 88 I 5.1233 8.7550 122.1836 59.4176 41.2221 174.2244 89 L 5.6086 9.1241 127.5200 53.2225 44.9238 175.1171 90 Y 6.3000 9.3686 121.7777 54.2946 41.7170 174.9499 91 S 4.1176 8.2254 115.5609 55.9414 65.6981 174.9258 92 S 3.4554 7.8889 115.2523 60.7884 62.4718 174.9919 93 D 4.5177 7.3435 117.7421 52.1338 39.3541 175.8633 94 W 3.6949 6.8068 117.2446 58.2979 27.0523 174.5242 95 L 4.6079 8.1043 117.7356 54.1729 42.5692 176.3220 96 V 5.3431 8.7289 121.1333 61.6429 34.7550 174.0935 97 Y 5.2857 9.8539 124.7294 56.0925 42.2654 174.3447 98 K 5.3202 9.5937 118.6397 55.9088 36.4701 175.2266 99 T 4.8999 8.9799 115.3435 59.2683 70.9966 174.0757 100 T 4.9837 8.3020 114.5459 61.2505 69.9760 173.3613 101 D 4.7203 7.6088 120.3169 53.6576 40.3014 174.8409 102 H 3.4255 8.0924 113.8210 58.9869 27.8787 173.5562 103 Y 3.2617 6.9420 108.7975 59.2069 35.9744 172.2547 104 Q 4.3638 8.1085 120.3643 57.5683 29.9053 176.4053 105 T 4.6915 7.1840 106.4008 59.9774 72.4846 173.1568 106 F 5.3342 8.7352 121.1507 56.1814 42.6989 174.4635 107 T 4.8586 8.9822 118.4535 61.4574 72.4617 173.3508 108 K 3.5483 8.6573 126.7681 56.2029 32.4275 176.3697 109 I 4.5332 8.4898 118.3279 60.6410 39.9581 175.6866 110 R 4.1809 7.5544 126.4229 56.5331 31.1228 174.5242 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 4 I 8.01 4.18 1.72 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.97 0.90 0.00 0.00 5 N 7.78 4.89 0.00 2.81 2.79 0.00 0.00 5.78 6.34 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 6 T 8.42 4.63 4.28 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 1.21 0.00 0.00 7 F 8.38 4.19 0.00 3.13 3.13 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 0.00 0.00 0.00 0.00 8 D 8.33 4.52 0.00 2.77 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 9 G 8.22 3.67 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 0.00 0.00 0.00 10 V 8.42 3.63 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 0.97 0.00 0.00 1.13 0.00 0.00 11 A 8.42 4.09 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.89 4.36 0.00 2.86 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 13 Y 8.06 4.14 0.00 3.26 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 14 L 8.36 4.30 0.00 1.95 1.93 0.65 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.56 3.94 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 16 T 7.54 3.61 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 0.51 0.00 0.00 17 Y 7.96 4.07 0.00 2.48 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 18 H 7.91 2.93 0.00 3.13 3.21 0.00 5.71 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.22 4.80 0.00 2.21 2.02 0.00 1.41 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.67 7.81 20 L 8.26 4.23 0.00 1.63 1.48 0.64 0.31 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 21 P 0.00 3.97 0.00 2.08 0.90 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.15 0.00 22 D 8.58 4.42 0.00 2.69 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 23 N 8.02 4.54 0.00 2.69 2.89 0.00 0.00 6.18 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 24 Y 7.41 5.22 0.00 2.97 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 25 I 8.49 4.95 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.77 0.89 0.00 0.00 26 T 8.80 4.36 4.51 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 1.27 0.00 0.00 27 K 8.90 3.89 0.00 2.00 2.14 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.68 1.64 7.81 28 S 8.12 4.26 0.00 4.10 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 0.00 29 E 8.10 3.99 0.00 2.16 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 0.00 2.36 2.36 0.00 30 A 8.44 4.12 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 31 Q 8.53 4.11 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.93 0.00 32 A 7.92 4.06 1.43 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 33 L 7.46 4.34 0.00 1.93 1.77 0.94 0.99 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 34 G 8.01 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 35 W 8.24 4.40 0.00 3.20 3.30 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 36 V 8.63 3.71 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 0.78 0.00 0.00 0.90 0.00 0.00 37 A 7.34 3.63 0.93 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 38 S 8.05 4.32 0.00 3.83 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 K 7.78 4.40 0.00 1.79 1.67 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.22 7.81 40 G 7.02 3.30 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 0.00 41 N 7.97 4.88 0.00 2.95 3.03 0.00 0.00 5.71 6.67 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 42 L 8.36 3.94 0.00 1.46 1.77 0.43 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.98 4.00 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 44 D 8.01 4.44 0.00 2.87 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 45 V 7.77 4.17 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 0.83 0.00 0.00 1.08 0.00 0.00 46 A 8.44 4.69 1.20 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 47 P 0.00 4.45 0.00 2.03 1.99 0.00 3.71 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.28 0.00 48 G 8.86 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 0.00 0.00 0.00 49 K 7.33 5.25 0.00 1.56 1.68 0.00 1.55 0.00 0.00 1.52 0.00 0.00 2.67 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.32 7.81 50 S 7.83 4.54 0.00 3.13 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.89 4.37 1.71 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 0.66 0.37 0.85 0.00 0.00 52 G 9.28 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 0.00 0.00 0.00 0.00 53 G 9.63 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 0.00 0.00 0.00 0.00 54 D 7.98 4.75 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 55 I 8.37 4.30 1.87 0.00 0.00 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 1.22 0.72 0.89 0.00 0.00 56 F 9.34 4.72 0.00 3.01 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 57 S 8.10 3.93 0.00 3.56 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 58 N 6.50 3.91 0.00 2.85 2.79 0.00 0.00 7.34 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 59 R 7.90 3.80 0.00 1.87 1.83 0.00 3.31 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 60 E 8.20 4.26 0.00 1.89 1.95 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 2.31 1.87 0.00 61 G 7.77 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 62 K 7.57 4.06 0.00 1.84 1.99 0.00 1.84 0.00 0.00 2.13 0.00 0.00 3.35 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.63 7.81 63 L 7.12 3.94 0.00 0.43 0.13 -0.51 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.18 0.00 2.33 2.19 0.00 3.06 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.12 0.00 65 G 8.42 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 66 K 7.77 4.31 0.00 1.73 1.54 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.32 1.35 7.81 67 S 8.61 4.11 0.00 3.85 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 68 G 8.85 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 69 R 7.45 4.47 0.00 1.59 1.77 0.00 3.13 0.00 0.00 2.50 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.19 0.00 70 T 9.23 4.59 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 1.12 0.00 0.00 71 W 8.49 5.03 0.00 3.61 3.19 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 72 R 9.07 5.10 0.00 0.67 1.45 0.00 2.87 0.00 0.00 3.37 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.35 0.00 73 E 9.13 5.72 0.00 2.19 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 2.51 2.23 0.00 74 A 8.19 4.94 0.98 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 0.00 0.00 75 D 9.30 4.97 0.00 2.64 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 76 I 8.41 4.39 1.12 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 1.21 0.69 -0.20 0.00 0.00 77 N 9.12 4.26 0.00 2.88 2.90 0.00 0.00 6.90 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 78 Y 7.29 4.46 0.00 2.96 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 79 T 7.37 4.05 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 1.08 0.00 0.00 80 S 7.00 3.99 0.00 3.84 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 0.00 81 G 8.49 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 82 F 8.70 4.46 0.00 3.12 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 83 R 8.73 4.25 0.00 2.00 1.97 0.00 3.05 0.00 0.00 3.46 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 84 N 8.64 4.86 0.00 2.88 2.98 0.00 0.00 6.05 7.64 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 85 S 8.60 4.68 0.00 4.06 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 0.00 86 D 8.35 5.51 0.00 2.77 2.72 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 87 R 8.71 5.18 0.00 1.46 1.72 0.00 3.26 0.00 0.00 3.04 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.82 0.00 88 I 8.76 5.12 2.04 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.89 1.00 0.00 0.00 89 L 9.12 5.61 0.00 1.71 1.62 0.52 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.37 6.30 0.00 3.22 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 91 S 8.23 4.12 0.00 2.72 2.63 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 92 S 7.89 3.46 0.00 3.69 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 93 D 7.34 4.52 0.00 2.73 2.63 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 94 W 6.81 3.69 0.00 3.59 3.50 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 95 L 8.10 4.61 0.00 2.04 1.99 1.17 0.79 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 96 V 8.73 5.34 2.22 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 1.34 0.00 0.00 1.20 0.00 0.00 97 Y 9.85 5.29 0.00 2.86 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 98 K 9.59 5.32 0.00 1.36 1.69 0.00 0.91 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 1.31 7.81 99 T 8.98 4.90 3.54 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 0.83 0.00 0.00 100 T 8.30 4.98 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 1.25 0.00 0.00 101 D 7.61 4.72 0.00 2.71 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 0.00 102 H 8.09 3.43 0.00 3.36 3.51 0.00 5.91 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 Y 6.94 3.26 0.00 3.24 3.33 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 0.00 104 Q 8.11 4.36 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 105 T 7.18 4.69 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 1.19 0.00 0.00 106 F 8.74 5.33 0.00 2.80 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 0.00 107 T 8.98 4.86 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 0.00 108 K 8.66 3.55 0.00 1.39 1.49 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.17 0.81 7.81 109 I 8.49 4.53 1.84 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.88 0.77 0.00 0.00 110 R 7.55 4.18 0.00 1.87 1.84 0.00 3.34 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00