NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.5024 8.3249 122.8191 57.5951 41.2439 174.9442 3 L 4.6825 7.7797 118.6705 51.5982 43.4122 175.4751 4 T 4.3077 9.0604 115.4814 60.9711 72.3425 175.7510 5 A 4.0217 8.3679 122.8854 54.7799 18.3596 179.9976 6 E 3.8585 8.0588 117.2308 59.6194 29.6281 179.0029 7 E 3.8883 7.9232 118.0278 59.4153 29.4789 179.6498 8 K 3.9699 8.2312 118.6387 59.2985 32.0945 179.6944 9 G 3.5435 8.0084 105.9181 47.6330 0.0000 175.6087 10 L 3.9660 7.8075 121.6061 57.5878 41.7197 179.9093 11 V 2.9295 7.6579 117.8890 66.0265 31.3758 177.8557 12 N 4.6437 8.8414 116.7552 55.7973 38.1567 177.7395 13 G 3.6727 7.9493 106.7113 47.9130 0.0000 175.2440 14 L 3.9835 7.8680 123.2525 57.2916 42.1540 178.6801 15 W 4.2582 8.7748 128.6466 60.4355 30.4134 178.0750 16 G 3.8433 8.4313 104.9571 47.2059 0.0000 174.7547 17 K 4.4304 7.7423 118.1410 55.5783 32.9878 177.2128 18 V 3.4956 6.9834 120.2214 62.6340 31.9225 175.7332 19 N 4.4443 8.4687 125.2738 53.1342 38.7981 175.8066 20 V 3.5404 8.1079 129.2274 64.6197 31.7306 177.4366 21 D 4.4524 8.0700 118.4567 56.1922 41.0889 177.4584 22 E 4.2119 7.8650 119.5945 58.3986 30.1279 178.1632 23 V 3.4786 7.7093 118.3600 65.9967 31.5002 178.1877 24 G 3.7443 8.0475 105.0321 47.7034 0.0000 175.6231 25 G 3.6071 8.0013 107.6793 47.6268 0.0000 175.4788 26 E 3.9533 8.2041 120.9530 59.0051 29.4990 179.2813 27 A 3.9736 8.3697 121.2717 54.9613 18.4158 179.5466 28 L 3.9121 8.2885 119.1722 58.2744 42.2842 179.1418 29 G 3.7151 8.5247 106.0288 48.2282 0.0000 175.7867 30 R 3.9494 8.1637 120.2362 58.4442 29.9098 178.8458 31 L 4.1156 7.8764 120.3342 58.3590 42.1147 179.0556 32 L 3.9366 7.7874 118.8093 57.6646 41.2746 179.8706 33 V 3.4671 7.5763 117.1762 66.1400 31.6926 178.1260 34 V 3.5007 7.5140 116.5162 64.4737 32.7732 175.6188 35 Y 4.0741 7.5536 115.7433 54.7992 37.7301 174.3725 36 P 4.7182 0.0000 0.0000 64.0304 32.0424 178.0043 37 W 4.4159 8.1996 115.7799 59.4306 28.1259 177.9552 38 T 4.4835 7.9140 110.7163 64.1420 68.2105 176.4364 39 Q 4.2109 7.9938 121.9013 59.1684 28.5363 178.6665 40 R 3.3822 7.6021 118.0530 59.0331 30.1635 177.3593 41 F 4.0481 8.1182 114.9733 59.0797 39.3813 175.2836 42 F 4.4212 8.5456 120.0183 56.6102 39.0795 175.5356 43 E 4.2588 7.9147 120.7808 58.2988 30.1832 178.9310 44 S 4.5943 8.0301 111.0177 59.1824 63.0162 174.4770 45 F 4.8754 8.0444 118.1439 57.6501 40.1899 177.3911 46 G 3.9413 8.0490 107.4662 45.0047 0.0000 175.2231 47 D 4.4455 8.6934 126.4126 54.7544 40.1590 175.4776 48 L 4.8230 8.3215 127.9416 54.4966 42.4144 178.7055 49 S 4.1172 8.4425 114.2841 59.9221 63.5730 174.0333 50 S 4.5791 7.5304 115.3287 55.9694 67.0516 174.9668 51 A 3.9480 8.4682 123.5474 55.5466 18.0885 179.5933 52 D 4.2618 8.0734 116.5873 57.5641 40.7433 178.8289 53 A 4.0520 7.7262 119.8232 54.8979 18.5911 179.6083 54 I 3.8905 7.7530 118.4524 64.8791 37.2011 178.5439 55 M 4.2179 8.2685 118.2955 57.1999 31.6851 177.3947 56 S 4.5964 7.3652 111.4900 57.7272 63.5717 173.8502 57 N 4.4377 8.0854 120.7455 53.4696 39.2796 175.0268 58 A 3.9006 8.7491 130.4742 55.6183 18.3743 179.2319 59 K 3.6357 7.9149 115.9681 58.9142 32.2802 179.5351 60 V 3.5179 8.4884 118.9259 65.8759 31.3255 178.2511 61 K 3.8878 8.1811 118.0912 59.5053 31.7838 179.2911 62 A 3.9843 8.1444 121.2525 55.2918 18.2865 179.1892 63 H 4.2872 8.6796 117.3768 59.3549 29.9757 177.7260 64 G 3.6866 8.7389 107.9073 47.5995 0.0000 175.5869 65 K 4.0882 7.8182 121.7380 59.2502 32.2891 179.1732 66 K 4.0104 7.8913 118.9991 59.2785 32.0189 179.4427 67 V 3.6708 7.8727 118.5485 65.9552 31.5040 177.7875 68 L 4.2900 8.5002 120.3844 58.5570 41.9233 178.6191 69 N 4.5388 8.6737 116.9163 56.4686 38.4163 177.5296 70 S 4.1047 8.2725 115.5581 61.3537 63.0486 176.6265 71 F 4.1269 8.4288 121.0651 60.3594 38.5485 177.8359 72 S 4.0800 8.4721 114.9304 61.7432 62.4916 176.2891 73 D 4.3973 8.3113 120.8899 57.3318 40.8789 178.9606 74 G 3.6630 7.9410 106.0697 47.8039 0.0000 175.6799 75 L 3.8956 7.7290 120.6293 57.4526 41.6706 179.5889 76 K 4.2222 8.0411 117.0795 58.0726 32.2329 176.9986 77 N 5.0526 7.8254 117.2929 52.6529 39.7135 176.4314 78 I 3.6797 7.9983 120.2227 63.8278 38.2479 176.1073 79 D 4.6138 7.9320 117.8149 55.5582 41.1866 176.2031 80 D 4.7470 8.1197 119.1133 51.8655 41.6132 175.3824 81 L 4.1296 7.8067 123.1844 57.1196 42.0493 178.8663 82 K 4.0511 8.0991 118.3834 59.5432 31.8334 179.4068 83 G 3.6205 8.3815 105.0205 47.1797 0.0000 175.0055 84 A 3.9623 7.7106 122.2678 54.2054 18.5426 178.7430 85 F 4.5776 8.1625 113.3738 57.1734 39.6567 177.5774 86 A 4.0740 7.6584 122.5672 55.4379 18.2096 180.1592 87 K 4.0022 7.9686 116.3331 59.5442 32.2103 179.5587 88 L 4.1166 7.9109 118.9310 57.5072 41.5987 179.2654 89 S 4.3395 9.0419 114.0560 61.4971 62.4175 175.8468 90 E 3.8465 8.0098 120.8633 59.5143 29.2822 178.7928 91 L 3.8495 7.8463 119.9419 58.9897 42.0932 178.8100 92 H 4.2370 8.8062 116.1200 59.1580 28.4714 177.0537 93 C 3.6048 7.8487 120.8286 62.0997 31.0853 175.3255 94 D 4.2797 8.3834 120.9052 56.9874 40.6995 177.8349 95 K 4.2379 7.8609 116.8406 56.9702 32.9579 177.4120 96 L 4.5248 7.5825 116.2445 53.8123 43.8121 175.8041 97 H 4.2468 7.5544 114.1935 56.6659 26.6181 174.9367 98 V 3.9292 7.8877 118.8461 61.6426 32.3602 174.8961 99 D 4.2201 8.6118 127.0750 53.7019 41.6195 175.0210 100 P 2.9700 0.0000 0.0000 63.7712 31.6735 178.0242 101 E 3.8154 8.1820 119.6115 59.2534 29.5470 178.3752 102 N 4.2548 8.0272 116.2176 55.9222 38.4794 177.3094 103 F 4.5263 7.5560 119.5306 60.5866 38.9021 177.8083 104 R 4.0185 7.7066 117.4791 58.9140 29.8479 178.7466 105 L 3.8434 7.8082 118.4421 57.8604 41.6394 179.3114 106 L 4.0664 7.8979 119.6830 58.0020 41.9926 178.9176 107 G 3.8529 8.1388 105.7388 48.2939 0.0000 175.3786 108 N 4.4053 8.3683 119.0309 55.7570 38.4012 177.7664 109 V 3.6358 7.9048 119.9705 65.8260 31.5838 177.8399 110 L 3.8496 7.9821 120.1298 58.1535 41.9159 179.0434 111 V 3.5357 8.0320 118.3763 66.2615 31.3954 177.8476 112 C 4.0998 8.1078 116.5187 62.6729 27.9076 176.2298 113 V 3.6173 8.1047 120.3575 65.6646 31.0520 178.1954 114 L 3.8060 8.0332 119.1300 57.5338 41.3658 179.0859 115 A 3.5252 7.0759 120.6204 55.2061 17.9786 179.1889 116 H 4.0929 7.7083 115.4877 59.9608 30.1106 177.0740 117 H 3.9397 8.1892 116.5027 57.7735 28.6426 176.8201 118 F 4.7265 8.4468 117.5209 56.2166 40.3249 177.2640 119 G 3.9173 8.8163 109.0756 46.2017 0.0000 175.4588 120 H 4.1026 9.2987 120.9944 59.4094 29.5354 175.8774 121 D 4.5098 7.9743 118.0218 56.6350 41.0892 176.9785 122 F 4.5139 8.3825 124.0143 56.7729 37.7055 174.8360 123 N 4.6717 7.5083 123.3629 51.3307 40.1706 174.1889 124 P 4.1686 0.0000 0.0000 65.7784 30.7656 179.0262 125 Q 3.9753 7.9943 116.6143 58.5891 28.6898 178.5940 126 V 3.4826 8.2231 119.8528 65.7801 31.5523 177.5556 127 Q 3.6156 7.5428 119.4015 59.3203 28.8203 178.3874 128 A 3.9824 8.0194 121.1676 55.2729 18.4161 179.5412 129 A 3.8939 7.6645 118.3091 55.4456 18.4678 180.0034 130 F 4.1591 8.2724 116.1371 60.4796 38.8797 178.0320 131 Q 4.1196 8.7682 118.5632 58.8925 28.4963 178.7169 132 K 4.0931 8.1614 119.6061 59.3058 31.9987 179.6541 133 V 3.5141 7.6824 118.3216 66.2659 31.6177 178.6531 134 V 3.9535 8.1949 112.0383 64.2890 31.3144 178.5661 135 A 4.1158 8.4055 120.9568 54.9793 18.2357 179.8824 136 G 3.2417 7.9726 104.3002 47.7095 0.0000 175.8593 137 V 2.9961 7.9930 121.1040 65.6431 31.5991 178.0097 138 A 3.8457 7.8638 120.1837 55.1207 18.0336 179.3649 139 N 4.2691 8.2755 114.9113 56.4300 38.3804 177.5519 140 A 4.0133 7.6131 121.1710 55.0819 18.5608 179.4780 141 L 3.9524 7.5833 116.4480 57.4185 41.7584 179.0052 142 A 4.2231 7.9691 120.0253 54.3047 18.3437 179.0056 143 H 4.2050 7.8222 117.2211 59.1256 30.0340 176.1137 144 K 4.3892 8.3909 116.4028 56.4316 32.0273 176.6497 145 Y 4.0801 7.8666 117.3220 58.7033 38.3969 176.0027 146 H 4.3650 8.2796 116.6238 56.4538 27.9710 173.7225 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 2 F 8.32 4.50 0.00 2.99 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 3 L 7.78 4.68 0.00 1.78 1.57 1.09 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.06 4.31 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 1.21 0.00 0.00 5 A 8.37 4.02 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 6 E 8.06 3.86 0.00 2.00 1.98 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 2.38 2.38 0.00 7 E 7.92 3.89 0.00 2.24 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 2.28 2.31 0.00 8 K 8.23 3.97 0.00 1.76 1.81 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.41 1.65 7.81 9 G 8.01 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 0.00 0.00 0.00 0.00 10 L 7.81 3.97 0.00 1.79 1.70 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.66 2.93 1.84 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 0.62 0.00 0.00 -0.19 0.00 0.00 12 N 8.84 4.64 0.00 2.84 2.89 0.00 0.00 6.96 8.21 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 13 G 7.95 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 14 L 7.87 3.98 0.00 1.68 1.92 0.68 0.99 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 15 W 8.77 4.26 0.00 3.86 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 16 G 8.43 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 17 K 7.74 4.43 0.00 2.18 2.15 0.00 1.82 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.52 7.81 18 V 6.98 3.50 1.54 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 0.21 0.00 0.00 0.57 0.00 0.00 19 N 8.47 4.44 0.00 2.70 2.61 0.00 0.00 6.97 7.71 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 20 V 8.11 3.54 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 0.83 0.00 0.00 0.94 0.00 0.00 21 D 8.07 4.45 0.00 2.76 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 22 E 7.87 4.21 0.00 2.17 1.86 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 2.44 2.26 0.00 23 V 7.71 3.48 1.93 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 0.74 0.00 0.00 0.58 0.00 0.00 24 G 8.05 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 0.00 0.00 0.00 25 G 8.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.20 3.95 0.00 2.17 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 2.31 2.48 0.00 27 A 8.37 3.97 1.35 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 0.00 0.00 28 L 8.29 3.91 0.00 1.82 1.77 0.60 1.41 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 29 G 8.52 3.72 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 30 R 8.16 3.95 0.00 1.96 1.96 0.00 3.18 0.00 0.00 3.03 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 31 L 7.88 4.12 0.00 1.95 1.86 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.79 3.94 0.00 1.86 1.70 0.78 0.87 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 33 V 7.58 3.47 2.00 0.00 0.00 0.00 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 1.00 0.00 0.00 34 V 7.51 3.50 1.56 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 0.06 0.00 0.00 0.80 0.00 0.00 35 Y 7.55 4.07 0.00 2.63 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 36 P 0.00 4.72 0.00 2.23 2.11 0.00 3.88 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 37 W 8.20 4.42 0.00 3.61 3.58 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 38 T 7.91 4.48 4.41 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 1.01 0.00 0.00 39 Q 7.99 4.21 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 40 R 7.60 3.38 0.00 1.92 1.79 0.00 3.18 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 41 F 8.12 4.05 0.00 2.94 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 0.00 0.00 0.00 0.00 42 F 8.55 4.42 0.00 2.85 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 0.00 0.00 0.00 43 E 7.91 4.26 0.00 1.99 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 2.40 2.30 0.00 44 S 8.03 4.59 0.00 4.09 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 45 F 8.04 4.88 0.00 3.30 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 46 G 8.05 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 47 D 8.69 4.45 0.00 2.67 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 48 L 8.32 4.82 0.00 1.76 1.65 1.10 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.44 4.12 0.00 4.01 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 50 S 7.53 4.58 0.00 3.85 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 51 A 8.47 3.95 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.07 4.26 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 53 A 7.73 4.05 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 54 I 7.75 3.89 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.79 0.96 0.00 0.00 55 M 8.27 4.22 0.00 1.94 2.15 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.88 0.00 56 S 7.37 4.60 0.00 3.92 3.90 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 57 N 8.09 4.44 0.00 3.00 2.84 0.00 0.00 7.06 7.85 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 58 A 8.75 3.90 1.28 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 0.00 0.00 0.00 59 K 7.91 3.64 0.00 1.53 0.79 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.69 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.36 7.81 60 V 8.49 3.52 2.17 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 1.00 0.00 0.00 1.02 0.00 0.00 61 K 8.18 3.89 0.00 1.90 1.80 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.18 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.66 7.81 62 A 8.14 3.98 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 63 H 8.68 4.29 0.00 3.35 3.47 0.00 5.79 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 64 G 8.74 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.82 4.09 0.00 1.94 1.98 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.45 1.65 7.81 66 K 7.89 4.01 0.00 1.79 1.89 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.71 7.81 67 V 7.87 3.67 2.29 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 1.21 0.00 0.00 0.99 0.00 0.00 68 L 8.50 4.29 0.00 1.93 1.87 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.67 4.54 0.00 2.83 2.93 0.00 0.00 6.84 8.09 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 70 S 8.27 4.10 0.00 4.07 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 71 F 8.43 4.13 0.00 3.53 3.02 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 72 S 8.47 4.08 0.00 4.28 4.13 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 73 D 8.31 4.40 0.00 2.60 2.56 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 74 G 7.94 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 0.00 0.00 0.00 75 L 7.73 3.90 0.00 1.51 1.57 0.65 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.04 4.22 0.00 1.84 1.83 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.48 7.81 77 N 7.83 5.05 0.00 2.82 2.65 0.00 0.00 6.45 7.10 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 78 I 8.00 3.68 1.93 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 1.36 0.59 0.87 0.00 0.00 79 D 7.93 4.61 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.75 0.00 2.64 2.44 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 0.00 0.00 0.00 0.00 81 L 7.81 4.13 0.00 1.67 1.77 0.80 1.05 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 82 K 8.10 4.05 0.00 1.76 1.84 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.45 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.43 7.81 83 G 8.38 3.62 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 0.00 0.00 0.00 84 A 7.71 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.16 4.58 0.00 3.12 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 86 A 7.66 4.07 1.39 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 0.00 0.00 87 K 7.97 4.00 0.00 1.80 1.86 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.52 7.81 88 L 7.91 4.12 0.00 2.02 1.88 1.03 0.90 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 89 S 9.04 4.34 0.00 4.16 4.13 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 90 E 8.01 3.85 0.00 2.26 1.98 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 2.34 2.59 0.00 91 L 7.85 3.85 0.00 1.84 1.87 0.90 1.09 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 92 H 8.81 4.24 0.00 3.56 3.80 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.85 3.60 0.00 1.23 2.42 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 94 D 8.38 4.28 0.00 2.67 2.68 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 95 K 7.86 4.24 0.00 1.81 1.81 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.51 7.81 96 L 7.58 4.52 0.00 1.76 1.76 0.79 1.02 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 97 H 7.55 4.25 0.00 3.39 3.44 0.00 5.65 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 98 V 7.89 3.93 2.26 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 0.45 0.00 0.00 0.81 0.00 0.00 99 D 8.61 4.22 0.00 2.71 2.59 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 0.00 100 P 0.00 2.97 0.00 1.74 1.43 0.00 3.23 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.44 0.00 101 E 8.18 3.82 0.00 2.10 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 2.34 0.00 102 N 8.03 4.25 0.00 2.75 2.80 0.00 0.00 7.00 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 0.00 103 F 7.56 4.53 0.00 3.08 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 0.00 104 R 7.71 4.02 0.00 1.97 1.99 0.00 3.31 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 105 L 7.81 3.84 0.00 1.72 1.28 0.59 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.90 4.07 0.00 1.86 1.76 0.98 0.97 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 0.00 107 G 8.14 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 0.00 108 N 8.37 4.41 0.00 3.03 2.95 0.00 0.00 6.71 7.07 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 0.00 109 V 7.90 3.64 2.26 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 1.16 0.00 0.00 1.13 0.00 0.00 110 L 7.98 3.85 0.00 1.70 1.68 0.82 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.03 3.54 2.26 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 1.16 0.00 0.00 1.10 0.00 0.00 112 C 8.11 4.10 0.00 3.21 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 0.00 113 V 8.10 3.62 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 0.91 0.00 0.00 0.98 0.00 0.00 114 L 8.03 3.81 0.00 1.01 0.98 0.40 0.38 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 0.00 115 A 7.08 3.53 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 0.00 116 H 7.71 4.09 0.00 3.20 3.49 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.19 3.94 0.00 2.88 2.59 0.00 5.87 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.45 4.73 0.00 3.19 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 0.00 119 G 8.82 3.92 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 0.00 0.00 0.00 120 H 9.30 4.10 0.00 3.14 3.46 0.00 5.94 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 7.97 4.51 0.00 3.08 2.85 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 0.00 122 F 8.38 4.51 0.00 2.95 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 0.00 123 N 7.51 4.67 0.00 2.97 2.86 0.00 0.00 6.11 7.76 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 0.00 124 P 0.00 4.17 0.00 2.16 2.14 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 125 Q 7.99 3.98 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 126 V 8.22 3.48 1.85 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 0.91 0.00 0.00 0.94 0.00 0.00 127 Q 7.54 3.62 0.00 1.88 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 128 A 8.02 3.98 1.38 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 0.00 129 A 7.66 3.89 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 0.00 130 F 8.27 4.16 0.00 3.33 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 0.00 131 Q 8.77 4.12 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 132 K 8.16 4.09 0.00 2.06 2.03 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.70 7.81 133 V 7.68 3.51 2.29 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 1.16 0.00 0.00 0.75 0.00 0.00 134 V 8.19 3.95 2.23 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 1.02 0.00 0.00 1.11 0.00 0.00 135 A 8.41 4.12 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 0.00 136 G 7.97 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 0.00 0.00 0.00 137 V 7.99 3.00 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 -0.17 0.00 0.00 0.77 0.00 0.00 138 A 7.86 3.85 1.39 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 0.00 0.00 139 N 8.28 4.27 0.00 2.86 2.81 0.00 0.00 6.87 6.59 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 0.00 140 A 7.61 4.01 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 0.00 141 L 7.58 3.95 0.00 0.84 0.54 -0.12 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.97 4.22 1.38 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 0.00 143 H 7.82 4.21 0.00 3.20 3.58 0.00 5.94 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.39 4.39 0.00 1.85 1.85 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.47 7.81 145 Y 7.87 4.08 0.00 3.12 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 0.00 146 H 8.28 4.36 0.00 3.19 3.23 0.00 5.75 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