NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.6667 7.8976 114.0302 60.5497 32.9720 173.9829 *13 P 4.2620 0.0000 0.0000 62.6375 32.0888 176.4819 14 A 4.3727 8.3251 123.9293 51.8055 19.3573 177.7312 15 C 4.7545 8.9322 117.7986 57.3761 41.3703 174.0458 16 T 4.4598 8.7831 118.9586 62.2894 68.7710 174.7283 17 V 4.0438 8.2842 127.2980 62.2698 32.5897 175.5109 18 S 4.5961 8.7123 124.5222 57.5828 63.5956 174.2890 19 N 4.4651 8.7483 121.7539 54.0574 38.9514 173.9354 20 T 4.6985 7.9440 114.1579 61.2966 70.7165 172.7678 21 T 4.5209 8.1002 119.6714 61.5220 72.0459 173.8747 22 V 3.8915 8.2001 124.7643 60.9813 32.5548 174.2185 23 D 4.8722 8.2336 127.0636 52.3221 42.5094 175.6659 24 W 4.4008 9.1288 125.9597 56.7530 30.6132 178.6436 25 Q 3.3477 8.6634 117.5860 57.1083 26.6814 173.7489 26 D 4.5973 8.7264 125.4840 54.8080 41.5901 175.7552 27 V 4.3351 8.2041 122.7866 60.7744 33.7817 174.6480 28 E 4.1928 8.7777 127.7104 55.9890 30.1739 177.4768 29 I 3.5679 8.7217 125.4640 64.6189 37.2341 178.0189 30 Q 4.0000 8.1205 118.8996 58.3962 28.8465 176.5903 31 T 4.4613 7.7533 106.0852 61.5083 69.4737 174.8311 32 L 4.4770 7.9152 123.3719 54.7813 42.5907 176.0771 33 S 4.7769 8.7216 117.0141 56.4071 63.5885 174.6851 34 Q 2.9256 8.5305 128.2146 58.9316 28.8867 177.7377 35 N 4.2869 7.8384 113.2819 53.7555 39.0151 175.6207 36 G 4.2093 8.5563 107.3612 45.8019 0.0000 172.5919 37 N 4.6442 9.1430 124.2633 52.1884 38.9111 174.4853 38 H 4.3043 8.0262 107.8472 56.3459 27.0871 174.5650 39 E 4.4225 8.4855 118.3171 57.2637 30.1969 176.0686 40 K 4.6611 9.6452 127.1603 54.9341 35.7784 174.7400 41 E 4.9380 8.8755 126.7810 55.6270 31.0028 175.3297 42 F 5.1110 8.7640 117.3296 55.8991 41.8030 173.0568 43 T 5.1224 8.6285 109.2155 59.9717 71.8619 173.3453 44 V 4.5310 8.5753 121.7381 61.4697 34.8707 174.6031 45 N 5.5809 8.6627 124.0969 50.8476 42.2457 173.5766 *47 R 4.3076 8.1940 118.9641 56.9045 31.4289 174.6684 48 C 5.2030 9.0794 124.9526 54.0163 40.1746 171.8931 49 P 4.1401 0.0000 0.0000 64.8685 31.3560 176.1036 50 Y 4.5432 7.8866 119.4327 56.0140 38.9755 174.5129 51 N 3.3141 7.6029 127.0984 51.7844 37.8889 174.1322 52 L 4.1892 6.3500 117.7570 55.7292 44.0296 177.4073 53 G 4.2183 8.8932 107.3105 45.0544 0.0000 171.0398 54 T 4.5744 8.0568 113.4474 61.3010 72.5954 174.6837 *56 K 4.2277 8.5796 118.2179 55.9583 33.9274 174.5401 57 V 4.6392 8.2426 124.5140 61.2005 34.6222 174.3024 58 T 5.0917 8.8167 123.0455 61.8434 72.3752 172.7458 59 I 5.1977 8.6763 126.4574 59.7478 40.3763 174.6620 60 T 5.1130 9.0718 116.0647 60.0900 72.4281 172.5892 61 A 4.9878 8.2831 122.6711 50.8626 21.8506 176.5999 62 T 3.9609 8.7235 110.1583 63.3929 69.6097 174.5167 63 N 4.8975 8.0960 119.9946 51.4149 40.0256 173.3903 64 T 5.1110 8.1338 112.0735 60.2755 72.4488 172.9477 65 Y 4.4715 9.0847 122.8969 57.6822 41.7432 174.5718 66 N 3.9976 9.1577 127.0565 54.3737 36.0386 174.1763 67 N 4.2701 8.0875 110.2199 53.6900 38.0518 172.6501 68 A 4.6792 7.4724 117.3822 49.6312 22.8067 175.9449 69 I 4.2488 8.3451 121.2588 60.8919 38.5311 174.9624 70 L 4.6931 8.4970 130.4693 53.5871 42.7817 176.1123 71 V 3.8701 8.3696 128.1862 62.3263 31.7490 176.1478 72 Q 4.0905 8.7950 127.2115 57.1001 29.2595 175.4052 73 N 4.2127 8.6483 115.5644 55.2671 36.3024 174.8432 74 T 4.6141 7.8017 104.5002 61.4200 70.4988 173.1498 75 S 4.9721 7.7641 115.2295 56.9323 65.1114 173.4420 76 N 4.4305 9.1175 123.3814 56.2154 39.2289 175.5114 77 T 4.3262 7.7691 116.3723 61.7920 68.9779 175.5509 78 S 4.0418 8.7798 122.6455 60.8471 62.8555 175.3083 79 S 4.4070 7.9131 112.9256 58.3049 63.4267 172.9204 80 D 4.6755 9.1145 121.7348 52.5732 43.3120 174.6692 81 G 3.9530 7.5611 105.5169 43.5232 0.0000 172.4525 82 L 4.4759 8.3302 122.6347 55.1018 43.3374 176.2723 83 L 5.0777 8.9511 124.2500 52.8118 45.6776 175.5543 84 V 4.6889 8.5146 123.0625 61.4897 33.7820 173.6921 85 Y 4.8473 9.1822 126.5918 56.5435 40.0613 174.8700 86 L 5.4769 8.4075 122.7989 53.4822 45.0919 174.9696 87 Y 5.0765 9.2723 118.8388 56.1661 42.7612 174.6861 88 N 5.1180 9.1315 122.0665 53.4897 41.0876 173.3685 89 S 5.1239 8.6006 114.6239 56.5176 66.5615 172.9462 90 N 4.9662 9.4513 121.4227 52.2494 39.2166 173.8493 91 A 3.9355 9.4763 131.6623 52.8821 16.1380 178.3229 92 G 4.0141 8.4491 108.4338 45.8874 0.0000 173.3353 93 N 4.8918 7.7332 117.4749 50.8474 40.5098 174.3374 94 I 3.4187 8.1450 121.9490 61.4582 38.9736 175.6709 95 G 4.5801 8.3080 115.7686 45.3854 0.0000 172.6457 96 T 4.3305 8.5602 111.1555 61.3800 70.0877 174.3834 97 A 3.9618 8.6802 125.7094 52.4703 19.2783 176.6137 98 I 3.9548 7.9694 121.6646 60.1227 38.6314 175.7930 99 T 4.5019 8.1876 123.6773 62.0817 69.3313 174.4490 100 L 4.1939 9.3277 128.3648 56.1846 42.0606 178.0078 101 G 4.0215 9.3081 111.5460 45.4130 0.0000 173.2095 102 T 4.8814 7.2983 109.4421 58.8355 71.3554 172.4233 103 P 4.9453 0.0000 0.0000 63.0154 32.5099 175.3174 104 F 5.0480 8.7691 116.1567 55.7947 41.9447 173.1471 105 T 4.5783 8.4447 116.9115 61.1274 69.6486 173.1094 106 P 4.6566 0.0000 0.0000 63.0918 31.8411 176.8466 107 G 4.2330 9.0248 110.6043 46.0861 0.0000 173.3886 108 K 4.4873 7.8954 120.5097 54.7166 34.7471 174.5329 109 I 5.2007 8.4031 127.8314 59.5741 40.2639 175.2229 110 T 4.5904 9.3149 116.4348 60.3855 72.5862 173.7961 111 G 4.4815 8.8663 110.7507 46.8688 0.0000 173.7202 112 N 4.5527 8.6908 122.4805 54.0498 39.2537 174.7175 113 N 5.1024 7.5229 116.3142 51.4557 41.3928 174.6330 114 A 3.6876 8.4307 120.1183 55.5052 18.7464 176.9553 115 D 4.9240 7.6543 116.5203 53.9365 41.2997 175.8682 116 K 4.9875 8.6200 123.0319 54.8793 35.8539 175.6323 117 T 5.0582 8.8307 119.0401 61.8771 72.5587 173.0895 118 I 5.0309 8.8270 119.4794 59.2038 41.0034 174.4200 119 S 5.1532 8.3941 119.3476 56.9302 65.1123 173.4315 120 L 4.8356 8.2683 122.7930 53.3262 46.5809 174.8144 121 H 5.5590 9.2073 115.8193 54.2812 32.9853 172.9569 122 A 5.7100 9.5218 121.8896 50.6131 22.9233 175.2898 123 K 5.3168 9.7207 119.2144 54.7425 36.9359 175.0984 124 L 4.9386 9.1202 122.7850 53.4378 44.1798 176.1886 125 G 4.1670 9.0123 110.7009 46.2169 0.0000 170.4432 126 Y 5.2980 7.6544 115.2215 56.0306 41.3888 173.9409 127 K 4.3856 9.5610 122.6920 56.0953 34.9296 177.3301 128 G 4.2105 8.6632 113.7678 44.6901 0.0000 173.3856 129 N 4.8097 8.1678 122.4523 53.5804 38.0760 177.1482 *131 Q 4.2384 8.5544 120.5717 56.7435 30.8353 175.5132 132 N 4.6274 7.6976 113.8560 53.4437 39.1774 174.9086 133 L 4.5296 7.4919 118.8299 54.7849 42.5288 176.2944 134 I 4.4141 8.3574 124.1248 59.5947 38.3773 175.8655 135 A 4.1704 8.4948 128.8447 52.2493 19.3565 175.6678 136 G 3.9580 9.0899 104.8718 42.8109 0.0000 172.2787 137 P 4.2898 0.0000 0.0000 62.7061 31.7343 176.1799 138 F 5.0960 7.7976 115.6028 55.3617 41.0372 173.8854 139 S 4.6490 8.5408 114.3374 57.4457 65.1255 172.8568 140 A 4.7132 8.1922 127.1992 51.6510 21.9599 175.1217 141 T 4.7173 8.0735 112.2519 60.6235 70.6356 172.6141 142 A 4.9126 8.1916 125.6225 50.7208 22.7016 175.3476 143 T 4.5814 9.1500 116.8332 61.9934 70.9044 173.7592 144 L 5.1880 8.5160 126.7937 53.4324 44.6978 175.7338 145 V 4.7096 8.7981 118.9067 59.7303 35.4609 174.5951 146 A 5.1603 8.2590 123.6770 50.9346 22.5713 175.1772 147 S 4.9042 8.4659 114.4191 57.7039 66.1572 173.7710 148 Y 4.7970 8.6915 119.1271 57.3239 39.6866 175.7925 149 S 4.6122 8.5193 115.6935 59.4238 63.1225 176.0844 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 V 7.90 3.67 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 0.99 0.00 0.00 *13 P 0.00 4.26 0.00 2.24 2.09 0.00 3.12 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 14 A 8.33 4.37 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 15 C 8.93 4.75 0.00 2.92 3.21 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 16 T 8.78 4.46 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 1.23 0.00 0.00 17 V 8.28 4.04 2.11 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 0.82 0.00 0.00 1.00 0.00 0.00 18 S 8.71 4.60 0.00 3.95 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 19 N 8.75 4.47 0.00 2.70 2.77 0.00 0.00 6.75 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 20 T 7.94 4.70 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 1.33 0.00 0.00 21 T 8.10 4.52 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 1.17 0.00 0.00 22 V 8.20 3.89 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 -0.13 0.00 0.00 -0.00 0.00 0.00 23 D 8.23 4.87 0.00 2.57 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.13 4.40 0.00 3.57 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 25 Q 8.66 3.35 0.00 2.23 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 26 D 8.73 4.60 0.00 2.72 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 27 V 8.20 4.34 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 0.59 0.00 0.00 1.03 0.00 0.00 28 E 8.78 4.19 0.00 2.12 1.89 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 2.42 2.36 0.00 29 I 8.72 3.57 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.75 0.00 0.00 30 Q 8.12 4.00 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 31 T 7.75 4.46 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 1.25 0.00 0.00 32 L 7.92 4.48 0.00 1.85 1.90 0.82 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.72 4.78 0.00 3.87 3.74 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 34 Q 8.53 2.93 0.00 1.55 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.72 0.00 0.00 0.00 0.00 0.00 2.21 2.05 0.00 35 N 7.84 4.29 0.00 2.67 2.72 0.00 0.00 7.14 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 8.56 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 0.00 0.00 0.00 0.00 37 N 9.14 4.64 0.00 2.81 2.84 0.00 0.00 6.63 7.44 0.00 0.00 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 H 8.03 4.30 0.00 3.43 3.69 0.00 5.68 0.00 0.00 0.00 0.00 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.49 4.42 0.00 2.02 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 0.00 2.39 2.37 0.00 40 K 9.65 4.66 0.00 1.68 1.33 0.00 0.69 0.00 0.00 0.61 0.00 0.00 2.54 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.08 1.20 7.81 41 E 8.88 4.94 0.00 1.83 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 1.90 2.28 0.00 42 F 8.76 5.11 0.00 3.01 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 43 T 8.63 5.12 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 44 V 8.58 4.53 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 1.12 0.00 0.00 1.15 0.00 0.00 45 N 8.66 5.58 0.00 2.70 2.73 0.00 0.00 7.21 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 *47 R 8.19 4.31 0.00 1.98 1.88 0.00 3.17 0.00 0.00 3.35 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 48 C 9.08 5.20 0.00 2.84 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 49 P 0.00 4.14 0.00 2.09 2.16 0.00 3.71 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 2.06 2.11 0.00 50 Y 7.89 4.54 0.00 2.87 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 51 N 7.60 3.31 0.00 1.70 2.19 0.00 0.00 6.26 7.79 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 52 L 6.35 4.19 0.00 1.20 1.46 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.89 4.22 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 0.00 0.00 0.00 54 T 8.06 4.57 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 1.23 0.00 0.00 *56 K 8.58 4.23 0.00 1.61 1.70 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.34 7.81 57 V 8.24 4.64 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 0.00 0.00 0.93 0.00 0.00 0.60 0.00 0.00 58 T 8.82 5.09 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 1.25 0.00 0.00 59 I 8.68 5.20 2.02 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.05 1.07 0.00 0.00 60 T 9.07 5.11 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 1.24 0.00 0.00 61 A 8.28 4.99 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 62 T 8.72 3.96 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 1.22 0.00 0.00 63 N 8.10 4.90 0.00 2.74 2.84 0.00 0.00 6.64 7.05 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 64 T 8.13 5.11 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 65 Y 9.08 4.47 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 66 N 9.16 4.00 0.00 1.99 2.51 0.00 0.00 7.18 8.00 0.00 0.00 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 N 8.09 4.27 0.00 2.78 2.93 0.00 0.00 7.00 7.96 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 68 A 7.47 4.68 0.34 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 0.00 0.00 0.00 69 I 8.35 4.25 1.83 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 1.11 0.67 0.91 0.00 0.00 70 L 8.50 4.69 0.00 1.62 1.57 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.37 3.87 1.90 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 0.88 0.00 0.00 0.81 0.00 0.00 72 Q 8.80 4.09 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 73 N 8.65 4.21 0.00 2.86 2.89 0.00 0.00 6.76 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 74 T 7.80 4.61 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 1.17 0.00 0.00 75 S 7.76 4.97 0.00 3.82 3.88 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 76 N 9.12 4.43 0.00 2.59 2.85 0.00 0.00 6.93 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 77 T 7.77 4.33 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 1.20 0.00 0.00 78 S 8.78 4.04 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.91 4.41 0.00 3.93 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 80 D 9.11 4.68 0.00 2.72 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 81 G 7.56 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 82 L 8.33 4.48 0.00 1.45 1.19 0.70 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.95 5.08 0.00 1.36 1.09 1.05 0.74 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 84 V 8.51 4.69 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 1.25 0.00 0.00 0.82 0.00 0.00 85 Y 9.18 4.85 0.00 3.20 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 86 L 8.41 5.48 0.00 1.57 1.65 1.03 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 9.27 5.08 0.00 2.84 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 88 N 9.13 5.12 0.00 2.62 2.71 0.00 0.00 6.79 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 89 S 8.60 5.12 0.00 3.97 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 90 N 9.45 4.97 0.00 2.68 2.69 0.00 0.00 7.08 6.16 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 91 A 9.48 3.94 1.33 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 0.00 0.00 92 G 8.45 4.01 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 0.00 93 N 7.73 4.89 0.00 2.92 2.67 0.00 0.00 6.48 6.85 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 94 I 8.15 3.42 1.75 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.41 0.73 0.00 0.00 95 G 8.31 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.33 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 97 A 8.68 3.96 0.95 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 98 I 7.97 3.95 1.71 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.22 0.62 0.00 0.00 99 T 8.19 4.50 4.22 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 1.23 0.00 0.00 100 L 9.33 4.19 0.00 1.57 1.61 0.88 0.54 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 0.00 101 G 9.31 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 0.00 102 T 7.30 4.88 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 1.23 0.00 0.00 103 P 0.00 4.95 0.00 2.08 2.08 0.00 3.76 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 2.01 1.97 0.00 104 F 8.77 5.05 0.00 3.13 3.09 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 0.00 105 T 8.44 4.58 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 1.14 0.00 0.00 106 P 0.00 4.66 0.00 1.99 2.02 0.00 3.47 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.83 0.00 107 G 9.02 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 0.00 0.00 0.00 0.00 108 K 7.90 4.49 0.00 1.80 1.66 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.43 7.81 109 I 8.40 5.20 1.89 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 1.38 0.79 0.95 0.00 0.00 110 T 9.31 4.59 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 1.21 0.00 0.00 111 G 8.87 4.48 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 0.00 0.00 0.00 112 N 8.69 4.55 0.00 2.71 2.86 0.00 0.00 7.04 8.00 0.00 0.00 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 N 7.52 5.10 0.00 2.78 2.72 0.00 0.00 7.02 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 0.00 114 A 8.43 3.69 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 0.00 115 D 7.65 4.92 0.00 2.46 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 0.00 116 K 8.62 4.99 0.00 1.71 1.74 0.00 1.69 0.00 0.00 1.95 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.65 1.54 7.81 117 T 8.83 5.06 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 1.26 0.00 0.00 118 I 8.83 5.03 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.94 0.89 0.00 0.00 119 S 8.39 5.15 0.00 3.72 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 0.00 120 L 8.27 4.84 0.00 0.27 1.31 1.09 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 121 H 9.21 5.56 0.00 3.10 3.21 0.00 5.56 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 0.00 122 A 9.52 5.71 1.71 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 0.00 0.00 123 K 9.72 5.32 0.00 2.02 1.95 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.66 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.42 1.46 7.81 124 L 9.12 4.94 0.00 1.34 1.24 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 125 G 9.01 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 0.00 0.00 0.00 126 Y 7.65 5.30 0.00 2.97 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 0.00 127 K 9.56 4.39 0.00 1.67 1.63 0.00 0.61 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 0.89 7.81 128 G 8.66 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 0.00 0.00 0.00 0.00 129 N 8.17 4.81 0.00 2.75 2.62 0.00 0.00 6.83 7.32 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 *131 Q 8.55 4.24 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 132 N 7.70 4.63 0.00 2.93 2.79 0.00 0.00 6.84 6.21 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 0.00 133 L 7.49 4.53 0.00 1.35 1.44 0.36 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.36 4.41 1.85 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 1.13 0.50 0.90 0.00 0.00 135 A 8.49 4.17 1.22 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 0.00 0.00 136 G 9.09 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 0.00 137 P 0.00 4.29 0.00 2.04 1.95 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 138 F 7.80 5.10 0.00 3.00 2.96 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 0.00 139 S 8.54 4.65 0.00 3.79 3.74 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 0.00 140 A 8.19 4.71 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 0.00 141 T 8.07 4.72 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 1.23 0.00 0.00 142 A 8.19 4.91 1.26 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 0.00 143 T 9.15 4.58 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 0.00 144 L 8.52 5.19 0.00 1.69 1.57 1.08 0.93 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 0.00 145 V 8.80 4.71 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 0.67 0.00 0.00 0.95 0.00 0.00 146 A 8.26 5.16 1.12 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 0.00 0.00 147 S 8.47 4.90 0.00 3.96 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 0.00 148 Y 8.69 4.80 0.00 3.01 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 0.00 149 S 8.52 4.61 0.00 3.90 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 * Residues marked with a * may have inaccurate shift predictions.