NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0976 8.0549 120.3910 62.3631 32.4991 175.1900 2 L 3.9328 8.2811 127.6333 52.5268 42.2080 176.1180 3 S 4.5001 9.8184 119.3524 57.7957 66.1210 175.0927 4 E 4.2849 8.8533 121.7581 59.6998 29.2322 179.8627 5 G 3.6490 8.1247 105.1545 47.8088 0.0000 175.3688 6 E 3.8930 8.1784 120.9535 59.0522 29.4209 179.4975 7 W 4.4274 8.2270 119.0469 59.8778 29.0882 178.3396 8 Q 4.1076 8.6235 119.7710 59.1567 28.3846 178.3142 9 L 4.0747 7.9943 119.9844 57.7211 41.6447 179.5685 10 V 3.7575 8.0275 118.1018 66.2748 31.6200 177.9640 11 L 4.3725 8.5881 118.1356 57.0586 41.3450 178.8688 12 H 4.2385 8.3302 118.5757 59.1665 30.2024 177.2774 13 V 3.7484 7.8720 120.9078 64.4950 31.3684 178.1479 14 W 3.7997 8.6277 128.8851 60.0597 30.4180 177.7952 15 A 4.0294 8.2587 120.7586 54.9085 17.8484 179.7418 16 K 3.7611 7.7103 117.1256 59.2879 31.9368 179.7472 17 V 3.0089 6.9884 119.1640 65.5191 31.3539 177.2789 18 E 3.9922 7.1035 116.0530 57.3932 29.3115 177.4863 19 A 4.1187 7.2445 120.9193 54.1492 19.5538 177.8836 20 D 4.7087 7.9999 115.0882 52.1258 42.6658 175.6721 21 V 3.4160 7.8129 123.8331 66.1333 32.0867 176.7995 22 A 4.0598 7.9984 120.0629 55.0009 18.2576 179.7234 23 G 3.6146 8.5385 104.4420 46.0688 0.0000 175.7435 24 H 4.1783 8.2268 118.6560 58.5400 28.6393 178.1763 25 G 3.5664 8.3459 107.7560 47.6909 0.0000 175.7876 26 Q 3.8654 8.1738 120.3762 58.9313 28.7821 178.6603 27 D 4.2773 7.9615 119.7700 57.3514 40.7407 179.0623 28 I 3.6574 7.9657 120.5843 64.3721 37.0676 178.5478 29 L 3.3939 7.8268 119.9133 57.4603 41.2117 179.6324 30 I 3.5578 7.6394 119.9485 64.2613 36.9575 178.3382 31 R 3.7721 7.8881 119.4839 59.2416 29.8692 178.1363 32 L 3.9375 7.8799 120.1746 58.4373 41.6434 179.1203 33 F 4.5915 8.0815 117.9158 60.5221 38.5739 177.9935 34 K 4.0320 8.2245 117.7675 59.5855 31.9711 179.3726 35 S 4.3051 8.1880 114.6411 60.2972 64.1196 174.5650 36 H 4.6698 8.0889 118.3890 52.2259 29.6027 171.9344 37 P 4.6436 0.0000 0.0000 64.3188 31.2754 177.4509 38 E 4.1050 8.2468 116.4928 59.3947 29.2981 179.1586 39 T 4.0747 8.2214 111.6556 64.6299 68.8688 176.4160 40 L 3.5881 7.9148 123.1681 57.6921 41.8087 178.4700 41 E 4.0420 7.7573 116.8818 58.5814 29.6354 178.2811 42 K 4.4435 8.0508 117.0481 56.9464 32.5159 177.1731 43 F 4.6099 8.1742 119.2292 55.5898 39.9963 175.5567 44 D 4.3571 8.6080 125.2480 57.4420 40.4542 178.8218 45 R 3.6661 7.8656 117.7472 58.3635 30.1923 176.6885 46 F 5.0840 8.1126 114.8871 56.7037 40.8426 176.5951 47 K 4.1098 7.6621 119.3233 58.6557 32.4615 177.7507 48 H 4.3604 8.0990 114.6410 57.3042 28.9011 175.2326 49 L 4.3080 7.7618 121.8692 54.4049 41.5062 176.6770 50 K 4.5338 9.4266 123.0025 56.1186 34.0017 176.6675 51 T 4.7433 7.4568 108.8353 58.8677 73.1743 174.1419 52 E 3.9046 8.6915 121.9595 59.4079 29.7048 178.9054 53 A 3.9780 7.9717 120.4115 55.2180 18.2353 179.3174 54 E 3.9485 8.1534 116.2773 59.6597 29.9303 179.0938 55 M 4.1671 8.1511 118.7692 58.5152 31.8636 179.0835 56 K 4.0130 8.2073 117.1653 58.8598 32.2796 178.5329 57 A 4.4370 7.6783 119.0332 51.8998 19.0981 177.0970 58 S 4.3435 7.5182 113.4037 57.2013 62.5340 174.4000 59 E 4.0065 8.8382 129.5688 59.2409 29.4328 177.9411 60 D 4.4192 8.1890 117.9044 57.2033 41.2964 177.7736 61 L 3.4572 8.1382 120.9388 57.8060 42.1227 178.8571 62 K 3.8621 7.9647 119.3560 59.3534 32.1509 178.8254 63 K 3.9734 8.3787 119.0409 59.9695 31.9836 178.8554 64 H 4.4391 8.6974 118.5412 59.0738 29.7473 177.3917 65 G 3.6043 8.3993 108.0555 47.7735 0.0000 175.8256 66 V 3.6150 7.7614 120.2223 65.9973 31.5880 178.0829 67 T 3.8845 7.9734 115.5137 66.7154 68.2830 176.6486 68 V 3.5902 7.9412 119.9613 66.2208 31.6074 178.1878 69 L 4.2509 8.1859 118.5476 57.7879 41.4233 179.6593 70 T 3.9695 8.4057 116.2803 66.5290 68.3917 176.5418 71 A 3.9989 8.0226 122.6944 55.0750 18.3738 179.4866 72 L 3.7791 8.2111 119.1496 58.0606 42.0758 179.3699 73 G 3.2174 8.5057 105.9401 47.5891 0.0000 175.5010 74 A 3.9770 7.7228 122.1866 54.8401 18.6433 179.6011 75 I 3.7915 7.6182 118.2468 64.5945 37.1912 178.6591 76 L 3.9634 7.9005 120.1675 57.6887 41.1988 179.5590 77 K 3.9741 7.8188 116.7036 58.2263 32.2190 178.6093 78 K 3.9750 7.8359 118.3224 55.7810 32.7787 176.4186 79 K 2.0000 8.2692 118.4518 56.3762 29.7355 175.2860 80 G 3.9468 7.7694 106.0479 45.8563 0.0000 173.6584 81 H 4.5640 7.4313 118.8778 55.4447 27.6151 174.9764 82 H 5.3009 7.3089 110.1714 54.4040 29.7825 176.4940 83 E 3.9224 8.5532 122.4286 60.2554 29.2041 178.3361 84 A 4.0546 7.9563 118.8051 55.1076 18.4619 178.8858 85 E 4.1451 8.0984 116.6895 59.2739 29.8049 179.0787 86 L 4.0854 8.2137 119.2206 57.1353 41.6630 178.8201 87 K 3.7744 8.0674 120.1279 59.5077 31.9579 176.8960 88 P 4.4162 0.0000 0.0000 65.5766 31.2712 178.1219 89 L 3.9627 7.5559 119.9431 57.9068 42.0213 178.6410 90 A 4.1332 8.4296 121.0988 55.4468 18.3123 179.6526 91 Q 3.7995 8.1963 116.6616 59.1074 28.7394 179.2578 92 S 3.9954 8.3163 115.5294 61.7134 63.0425 176.2374 93 H 4.1873 8.7586 119.9729 58.0993 27.1279 177.7650 94 A 2.9312 8.0292 123.3891 54.7077 17.8848 179.3291 95 T 3.7939 7.1802 105.7289 62.0848 69.6118 175.3766 96 K 4.1964 7.4134 120.3802 58.3165 33.3752 176.9264 97 H 4.3005 8.0367 114.3737 56.2444 29.3520 175.3922 98 K 3.7507 6.9934 114.7947 57.4324 29.1948 176.4999 99 I 4.2414 7.8752 119.3147 58.7679 38.5794 175.0645 100 P 4.4557 0.0000 0.0000 62.1373 32.1035 177.4866 101 I 3.3856 8.4722 122.1719 64.6885 36.8892 178.4758 102 K 3.6820 7.9059 119.6067 59.7204 31.9314 178.2037 103 Y 4.1206 8.0564 116.7902 60.5849 37.7434 178.1401 104 L 4.1894 7.9335 120.3844 57.4197 41.6382 178.9635 105 E 3.9764 7.8924 119.1383 59.1906 29.6494 178.6690 106 F 4.4827 7.7944 117.8692 60.8293 38.9340 177.5804 107 I 3.8929 8.1968 118.0841 63.9190 37.7370 178.0648 108 S 4.1855 8.3150 116.4430 61.6211 62.6284 176.4117 109 E 4.0679 8.5794 121.1288 59.3390 29.1590 179.3249 110 A 4.0347 8.0578 120.8982 55.0222 18.4149 179.6079 111 I 3.6725 8.1389 118.7349 64.7419 37.2680 178.6671 112 I 3.8386 7.9651 120.4415 64.6529 36.9036 178.0004 113 H 4.1318 8.4606 119.0488 59.3844 29.6832 177.5156 114 V 3.5540 8.0102 120.0842 65.9666 31.3312 178.0099 115 L 3.7508 7.9666 118.9060 57.6992 41.0409 178.9771 116 H 4.4156 7.9608 117.5019 59.3678 29.9473 177.1963 117 S 4.1573 7.9289 115.9238 61.6172 62.7940 176.4654 118 R 4.0950 7.8081 118.6349 57.3433 31.1164 176.3685 119 H 5.0389 8.1200 116.2676 54.0456 29.9586 173.2015 120 P 4.3126 0.0000 0.0000 65.8269 31.6812 179.1808 121 G 3.6991 8.1640 106.5134 47.5176 0.0000 173.5861 122 D 5.0290 8.1135 117.8969 54.0393 41.5145 176.3005 123 F 4.9775 8.0333 121.1934 56.4325 39.7182 174.8300 124 G 3.8858 7.9097 107.8765 44.0375 0.0000 172.6886 125 A 3.9017 8.3927 120.8594 54.9263 18.3227 179.4957 126 D 4.1957 7.9900 117.0312 56.7975 39.3411 178.7302 127 A 3.9765 7.7646 121.9815 54.5408 18.3371 179.4381 128 Q 3.1652 7.9190 117.2535 58.7440 28.6327 179.2660 129 G 3.4679 8.2971 106.9543 47.5483 0.0000 175.7076 130 A 3.8421 7.9617 123.1529 55.1644 18.3298 179.4688 131 M 4.0078 8.3794 117.0932 58.5527 32.2244 177.8736 132 N 4.3016 8.4852 117.7047 56.6894 39.0563 176.9575 133 K 3.8701 8.1804 119.6546 59.3817 32.1076 179.1960 134 A 3.8258 8.1069 121.2765 55.1749 18.2521 179.7522 135 L 4.0735 8.3189 117.8133 57.7370 41.6734 179.5119 136 E 3.9854 8.5717 119.1527 59.2636 29.3425 179.0462 137 L 3.9896 8.2131 120.5522 58.0290 42.1148 178.5793 138 F 4.1278 8.3372 120.5734 61.6749 39.3158 177.4012 139 R 3.6096 8.3226 117.5365 58.8613 29.8071 178.9180 140 K 3.8378 8.4773 119.8510 59.7881 32.0464 178.6315 141 D 4.3873 8.2682 119.1023 57.1050 40.6564 178.8886 142 I 3.5330 7.6626 120.3947 64.1923 36.9423 178.2614 143 A 3.6872 8.2492 121.7605 54.9739 18.1372 179.5664 144 A 3.9555 7.9606 119.3995 55.2107 18.4169 180.0799 145 K 4.0119 7.8755 117.0982 59.6874 32.0951 179.0750 146 Y 4.0933 8.4973 117.4022 61.0405 37.8069 178.7582 147 K 3.9684 8.5415 120.7376 59.4237 32.1035 178.0075 148 E 3.9321 7.9700 118.3728 59.6173 29.6262 178.4670 149 L 4.4314 7.7022 114.9751 55.0281 41.9049 177.6384 150 G 3.7961 8.1650 107.3790 45.9855 0.0000 173.6076 151 Y 4.6024 8.2888 114.1588 57.3225 38.7586 176.7932 152 Q 4.1218 8.2613 123.2699 57.1457 29.5617 176.1200 153 G 4.0469 8.1651 110.5244 45.5992 0.0000 172.8643 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 8.05 4.10 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 1.05 0.00 0.00 0.95 0.00 0.00 2 L 8.28 3.93 0.00 0.58 0.56 0.56 -0.65 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 3 S 9.82 4.50 0.00 4.02 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 4 E 8.85 4.28 0.00 2.07 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 0.00 2.50 2.39 0.00 5 G 8.12 3.65 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 0.00 0.00 0.00 6 E 8.18 3.89 0.00 1.92 1.72 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 2.21 2.26 0.00 7 W 8.23 4.43 0.00 3.54 3.16 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 8 Q 8.62 4.11 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 9 L 7.99 4.07 0.00 1.98 1.75 0.94 0.86 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 10 V 8.03 3.76 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 1.24 0.00 0.00 0.90 0.00 0.00 11 L 8.59 4.37 0.00 1.85 1.81 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.33 4.24 0.00 3.34 3.58 0.00 5.95 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.87 3.75 2.49 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 1.01 0.00 0.00 0.84 0.00 0.00 14 W 8.63 3.80 0.00 3.68 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 15 A 8.26 4.03 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 16 K 7.71 3.76 0.00 1.44 1.50 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.73 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.43 7.81 17 V 6.99 3.01 0.77 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 -0.13 0.00 0.00 0.05 0.00 0.00 18 E 7.10 3.99 0.00 2.02 1.92 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 2.22 2.00 0.00 19 A 7.24 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 20 D 8.00 4.71 0.00 2.65 2.52 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 21 V 7.81 3.42 2.05 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 1.06 0.00 0.00 0.90 0.00 0.00 22 A 8.00 4.06 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 23 G 8.54 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 24 H 8.23 4.18 0.00 3.29 3.23 0.00 5.82 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 25 G 8.35 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 26 Q 8.17 3.87 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 27 D 7.96 4.28 0.00 2.73 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 28 I 7.97 3.66 1.88 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 1.51 0.69 0.88 0.00 0.00 29 L 7.83 3.39 0.00 1.24 0.71 0.74 0.51 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 30 I 7.64 3.56 1.83 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 1.35 0.67 0.87 0.00 0.00 31 R 7.89 3.77 0.00 1.86 1.98 0.00 2.92 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 32 L 7.88 3.94 0.00 1.76 1.49 1.09 1.39 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 F 8.08 4.59 0.00 3.10 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 34 K 8.22 4.03 0.00 1.73 1.83 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.63 7.81 35 S 8.19 4.31 0.00 3.74 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 36 H 8.09 4.67 0.00 3.04 2.79 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.64 0.00 2.15 2.09 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 38 E 8.25 4.11 0.00 2.29 2.28 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 2.01 2.40 0.00 39 T 8.22 4.07 4.56 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 0.99 0.00 0.00 40 L 7.91 3.59 0.00 1.30 1.74 -0.04 1.03 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 41 E 7.76 4.04 0.00 2.07 2.27 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 2.38 2.45 0.00 42 K 8.05 4.44 0.00 1.95 1.71 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.73 1.94 7.81 43 F 8.17 4.61 0.00 3.16 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 44 D 8.61 4.36 0.00 2.64 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 45 R 7.87 3.67 0.00 1.47 1.04 0.00 2.97 0.00 0.00 2.83 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.34 0.00 46 F 8.11 5.08 0.00 2.87 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 47 K 7.66 4.11 0.00 1.98 2.22 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.23 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.74 1.40 7.81 48 H 8.10 4.36 0.00 3.30 3.48 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.76 4.31 0.00 1.61 1.59 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.43 4.53 0.00 1.66 1.80 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.48 7.81 51 T 7.46 4.74 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 1.21 0.00 0.00 52 E 8.69 3.90 0.00 2.04 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 0.00 2.35 2.35 0.00 53 A 7.97 3.98 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 54 E 8.15 3.95 0.00 2.13 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 0.00 2.36 2.35 0.00 55 M 8.15 4.17 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.59 0.00 56 K 8.21 4.01 0.00 1.84 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.55 7.81 57 A 7.68 4.44 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 58 S 7.52 4.34 0.00 3.94 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 59 E 8.84 4.01 0.00 2.14 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 2.40 2.46 0.00 60 D 8.19 4.42 0.00 2.91 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 61 L 8.14 3.46 0.00 1.38 1.61 -0.21 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.96 3.86 0.00 1.88 1.97 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.38 3.97 0.00 2.13 1.94 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.64 7.81 64 H 8.70 4.44 0.00 3.62 3.52 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 65 G 8.40 3.60 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 0.00 0.00 0.00 66 V 7.76 3.61 2.28 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 1.14 0.00 0.00 0.99 0.00 0.00 67 T 7.97 3.88 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 1.27 0.00 0.00 68 V 7.94 3.59 2.24 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 1.09 0.00 0.00 1.00 0.00 0.00 69 L 8.19 4.25 0.00 1.82 1.93 0.90 0.80 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 70 T 8.41 3.97 4.45 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 1.26 0.00 0.00 71 A 8.02 4.00 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 72 L 8.21 3.78 0.00 1.58 1.56 0.20 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.51 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 0.00 0.00 0.00 74 A 7.72 3.98 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 75 I 7.62 3.79 1.94 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.66 0.98 0.00 0.00 76 L 7.90 3.96 0.00 1.18 1.57 -0.13 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.82 3.97 0.00 1.71 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.50 7.81 78 K 7.84 3.98 0.00 1.83 1.80 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.61 1.78 7.81 79 K 8.27 2.00 0.00 1.21 0.74 0.00 1.49 0.00 0.00 1.41 0.00 0.00 2.66 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 0.69 7.81 80 G 7.77 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 81 H 7.43 4.56 0.00 3.16 3.24 0.00 5.80 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 82 H 7.31 5.30 0.00 3.28 3.43 0.00 5.65 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.55 3.92 0.00 2.13 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 0.00 2.39 2.46 0.00 84 A 7.96 4.05 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 85 E 8.10 4.15 0.00 2.26 2.02 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 2.40 2.46 0.00 86 L 8.21 4.09 0.00 1.83 1.65 0.90 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.07 3.77 0.00 2.00 1.83 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.67 7.81 88 P 0.00 4.42 0.00 2.32 2.30 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 89 L 7.56 3.96 0.00 1.77 1.87 0.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.43 4.13 1.40 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 91 Q 8.20 3.80 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 92 S 8.32 4.00 0.00 3.89 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 93 H 8.76 4.19 0.00 3.47 3.56 0.00 5.81 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 94 A 8.03 2.93 -0.18 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 95 T 7.18 3.79 4.12 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 0.83 0.00 0.00 96 K 7.41 4.20 0.00 1.54 1.65 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.19 1.33 7.81 97 H 8.04 4.30 0.00 3.01 3.13 0.00 5.85 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.99 3.75 0.00 1.85 1.87 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.53 7.81 99 I 7.88 4.24 2.03 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 1.44 0.93 1.09 0.00 0.00 100 P 0.00 4.46 0.00 1.70 1.77 0.00 2.35 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.79 0.00 101 I 8.47 3.39 1.72 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.55 0.71 0.00 0.00 102 K 7.91 3.68 0.00 1.74 1.70 0.00 1.55 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 0.63 7.81 103 Y 8.06 4.12 0.00 3.12 3.06 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 0.00 104 L 7.93 4.19 0.00 1.82 1.82 0.63 0.92 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 0.00 105 E 7.89 3.98 0.00 1.95 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 2.44 2.42 0.00 106 F 7.79 4.48 0.00 3.26 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 0.00 107 I 8.20 3.89 2.02 0.00 0.00 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 1.58 1.66 1.10 0.00 0.00 108 S 8.32 4.19 0.00 4.19 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 0.00 109 E 8.58 4.07 0.00 2.29 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 0.00 2.66 2.62 0.00 110 A 8.06 4.03 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 0.00 111 I 8.14 3.67 2.09 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 1.60 0.73 1.05 0.00 0.00 112 I 7.97 3.84 2.14 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.12 1.19 0.00 0.00 113 H 8.46 4.13 0.00 3.35 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.01 3.55 2.05 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 0.95 0.00 0.00 0.94 0.00 0.00 115 L 7.97 3.75 0.00 0.93 0.48 0.84 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.96 4.42 0.00 3.58 3.57 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 S 7.93 4.16 0.00 3.94 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 0.00 118 R 7.81 4.10 0.00 1.44 1.47 0.00 2.68 0.00 0.00 2.65 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 119 H 8.12 5.04 0.00 3.18 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.31 0.00 2.20 2.22 0.00 3.66 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 121 G 8.16 3.70 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 0.00 0.00 0.00 122 D 8.11 5.03 0.00 2.76 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 0.00 123 F 8.03 4.98 0.00 3.02 3.05 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 0.00 0.00 0.00 0.00 124 G 7.91 3.89 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 0.00 0.00 0.00 125 A 8.39 3.90 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 0.00 126 D 7.99 4.20 0.00 2.86 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 0.00 127 A 7.76 3.98 1.34 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 0.00 128 Q 7.92 3.17 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 129 G 8.30 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 3.84 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 0.00 131 M 8.38 4.01 0.00 2.41 2.48 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.88 0.00 132 N 8.49 4.30 0.00 2.89 2.95 0.00 0.00 7.17 7.31 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 0.00 133 K 8.18 3.87 0.00 1.82 1.66 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.53 7.81 134 A 8.11 3.83 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 0.00 135 L 8.32 4.07 0.00 1.73 1.78 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.57 3.99 0.00 2.21 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 0.00 2.35 2.54 0.00 137 L 8.21 3.99 0.00 1.86 1.97 0.99 1.32 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 0.00 138 F 8.34 4.13 0.00 3.03 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 0.00 139 R 8.32 3.61 0.00 2.04 1.87 0.00 3.15 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.99 0.00 140 K 8.48 3.84 0.00 1.79 2.01 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 D 8.27 4.39 0.00 2.76 2.69 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 0.00 142 I 7.66 3.53 1.34 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.18 0.42 0.00 0.00 143 A 8.25 3.69 1.23 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 0.00 144 A 7.96 3.96 1.37 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 0.00 145 K 7.88 4.01 0.00 2.01 1.91 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.62 7.81 146 Y 8.50 4.09 0.00 3.07 3.05 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 0.00 0.00 0.00 0.00 147 K 8.54 3.97 0.00 1.92 1.99 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.97 3.93 0.00 2.04 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 0.00 2.36 2.40 0.00 149 L 7.70 4.43 0.00 1.97 1.96 0.81 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.16 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 0.00 0.00 0.00 151 Y 8.29 4.60 0.00 2.62 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 0.00 152 Q 8.26 4.12 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 153 G 8.17 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00