NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.6929 8.4449 117.8125 56.3775 28.7805 172.5149 1D H 4.5585 8.5422 120.0875 55.4336 29.5961 173.3496 1E H 5.0875 7.6694 115.5968 53.6536 33.5975 171.9426 1F H 4.6692 8.8914 116.9201 55.8669 29.0449 174.3499 1G F 4.9361 8.3830 119.3939 57.8872 39.8575 173.9961 2 N 4.6374 8.5577 117.1436 52.3529 39.1569 174.5385 3 L 4.8266 8.0584 123.1926 51.9799 44.1262 174.6365 4 P 4.5467 0.0000 0.0000 61.7591 32.2020 174.8202 5 P 4.2627 0.0000 0.0000 65.0774 31.7157 176.7267 6 G 3.7726 7.8832 107.4696 45.4154 0.0000 170.7016 7 N 4.4707 7.9939 115.2765 51.3591 40.1157 173.9797 8 Y 4.9012 7.8215 114.6373 58.0387 38.5674 177.1932 9 K 4.1184 8.7514 123.3354 58.7257 32.1909 176.9420 10 K 4.7423 7.5634 115.0184 53.7339 35.8269 173.5794 11 P 4.7177 0.0000 0.0000 63.2886 32.1907 175.5109 12 V 4.7501 9.3099 113.6431 60.1962 36.9745 173.7611 13 L 5.0767 9.0135 121.7551 53.3015 44.3866 176.2766 14 L 4.9550 8.5960 123.2404 53.5031 43.2470 174.4258 15 Y 4.8119 9.2074 126.9001 56.9313 40.3651 173.5616 16 C 3.7941 8.5029 128.2939 57.8642 32.3039 174.2409 17 S 3.9542 8.0999 121.9935 61.2623 62.0667 175.1888 18 N 4.2297 8.0572 117.6813 56.1573 38.7483 175.5076 19 G 3.8884 7.5483 102.2709 44.5408 0.0000 173.0329 20 G 3.3239 7.7648 107.2105 43.8915 0.0000 173.4977 21 H 4.6302 7.3877 115.7690 54.4937 31.0856 174.0780 22 F 5.3036 8.9183 119.9918 55.8516 40.6515 175.3235 23 L 4.6043 8.9437 125.8277 55.3524 43.2717 175.6289 24 R 4.9296 9.3072 126.1239 54.5944 33.7068 173.9033 25 I 4.7346 8.2097 126.3813 59.3942 38.9975 175.7350 26 L 4.0964 8.7746 127.9640 53.4290 42.3232 176.7366 27 P 4.1534 0.0000 0.0000 65.9553 31.2534 177.2801 28 D 4.5403 7.9662 114.1889 53.5759 39.6088 177.0656 29 G 4.2511 8.5158 110.0278 45.4189 0.0000 174.0582 30 T 4.3109 8.2394 117.4272 63.3141 69.0788 173.5356 31 V 4.8317 8.0672 124.4473 61.1983 34.3820 174.4617 32 D 4.5972 8.5212 125.2804 52.9444 42.5193 174.0466 33 G 4.5818 8.5649 104.5291 45.4352 0.0000 172.3384 34 T 4.9895 8.8006 115.0168 60.5340 71.0618 174.6548 35 R 4.2896 8.8349 124.4023 56.6749 30.9300 176.5455 36 D 4.5913 8.1918 119.1071 53.3837 39.9157 176.5064 37 R 3.5789 8.6113 127.6099 58.2873 30.2497 177.3197 38 S 4.3756 8.2206 110.7468 58.7617 63.7138 174.1059 39 D 4.3623 7.7746 121.9093 54.9760 41.2036 176.0604 40 Q 4.3107 8.4350 122.9948 56.5826 29.4540 176.0045 41 H 4.8448 9.1424 115.8113 55.4754 29.0062 175.5905 42 I 4.5389 7.3806 111.1490 59.9807 38.1775 175.3253 43 Q 4.2481 7.7716 122.0966 55.7680 29.6086 174.8356 44 L 4.9450 9.0614 124.3466 52.7721 45.9475 175.2972 45 Q 4.7744 9.1933 123.5659 54.4435 31.2169 174.3990 46 L 5.2089 8.6477 126.4153 53.5829 43.9711 176.1183 47 S 4.4629 8.3982 115.1078 56.5160 66.8379 172.8698 48 A 4.5584 8.2102 125.4549 51.4366 19.2656 177.0211 49 E 4.2881 8.5238 123.0431 57.6446 30.7171 176.4496 50 S 4.5591 7.3784 112.3935 56.8909 66.7931 173.9390 51 V 3.7820 8.3647 122.4341 64.7654 31.6031 176.5779 52 G 3.9722 9.1937 114.4801 45.4681 0.0000 171.8111 53 E 5.2624 8.5285 120.1421 54.5459 32.5202 175.6452 54 V 4.8909 9.0833 116.6017 59.9229 36.7765 173.9342 55 Y 5.4188 8.5355 119.1982 56.6377 41.1235 175.3264 56 I 4.4173 8.5222 122.2749 59.5915 40.2592 174.1786 57 K 4.7368 8.6988 129.0233 54.0313 35.3967 175.0600 58 S 4.5679 8.8427 122.8589 58.5388 62.6280 174.9577 59 T 3.8960 8.5094 118.6052 64.5278 68.7607 175.8935 60 E 4.0827 8.3468 122.5605 58.1625 29.8925 176.9297 61 T 4.3836 8.0456 106.1498 60.4985 70.3343 175.2013 62 G 3.8531 8.2094 110.0044 45.2495 0.0000 173.7988 63 Q 4.4284 7.5734 119.1710 56.1241 30.2966 174.6206 64 Y 4.7427 8.9064 120.2142 56.0059 40.3396 175.1549 65 L 4.3675 8.9366 126.4446 55.3731 43.5053 175.5581 66 A 4.9832 8.6616 125.9421 50.7537 23.1844 174.3952 67 M 5.3661 8.6420 120.1514 53.7932 34.4833 175.7970 68 D 5.2513 9.5715 126.7387 52.5915 41.0170 176.9589 69 T 3.9780 8.5743 112.9192 64.7634 67.2479 174.0366 70 D 4.8149 8.5522 118.9400 53.9803 41.2562 176.9352 71 G 3.3845 8.7124 107.8885 45.1616 0.0000 172.9294 72 L 4.8371 8.3477 120.4632 53.1796 43.3943 176.1983 73 L 5.0459 8.5647 123.6133 55.0533 42.7641 175.5938 74 Y 5.0115 9.1496 120.1156 55.8685 42.1800 173.5737 75 G 4.2578 8.8487 108.0827 45.1429 0.0000 173.1666 76 S 5.0912 9.0285 120.9464 56.7419 64.0858 175.3049 77 Q 4.2606 9.0146 125.4986 58.0786 28.9890 176.3785 78 T 4.6334 7.4635 106.1456 58.4791 71.7596 171.6168 79 P 3.4874 0.0000 0.0000 62.2863 32.0775 175.1917 80 N 4.9654 7.9554 117.9044 51.0658 40.6786 174.4987 81 E 3.9481 8.6995 114.7161 59.4278 29.7586 178.2036 82 E 4.1168 8.6839 117.7695 57.5069 29.6838 177.3838 83 C 4.9035 7.7438 115.2958 58.9874 29.2155 173.4230 84 L 4.7557 7.2235 120.8912 53.7341 42.8910 175.8148 85 F 5.2392 9.0622 121.4530 55.5778 43.3568 174.2668 86 L 4.8523 9.2876 123.0681 53.9938 42.7042 175.4280 87 E 4.5267 8.8457 126.6421 55.1394 30.3274 175.5823 88 R 4.8316 8.5847 125.2745 54.0515 34.8352 174.5853 89 L 4.7637 8.6403 123.8316 55.2332 43.0965 175.7898 90 E 4.7336 9.2209 124.7681 55.1883 32.8664 174.7832 91 E 3.9855 10.1643 123.6463 57.8074 27.9175 175.0010 92 N 4.4799 8.4120 110.1239 54.1171 36.5715 173.8610 93 H 4.7438 7.7995 118.4204 57.2873 37.7586 173.5737 94 Y 4.6940 8.0302 116.7725 57.3667 40.0536 174.0281 95 N 5.5412 9.5297 118.7748 52.0384 41.0378 174.5550 96 T 5.3022 8.8449 112.8628 60.1505 72.8883 172.6759 97 Y 4.9997 8.6975 119.2719 56.6298 41.4361 174.1945 98 I 4.5803 8.6253 126.1413 59.1892 39.5227 175.5421 99 S 3.9751 8.9202 122.5435 58.5176 62.4128 174.0652 100 K 3.9925 8.7561 129.2783 59.3324 32.3229 178.6578 101 K 3.7547 7.9500 118.4198 59.1230 32.2887 176.7982 102 H 4.5043 7.9274 114.6429 55.0232 29.4098 176.2001 103 A 3.9361 7.6512 125.7621 55.3665 18.2612 180.7103 104 E 3.6669 7.8422 114.9280 58.5802 29.7334 177.3745 105 K 4.1468 7.5564 115.9077 55.6132 32.7651 175.8632 106 N 3.9747 7.6783 115.6416 53.9967 36.4194 174.6398 107 W 5.1461 7.7273 117.6005 55.7640 31.0736 177.3155 108 F 5.4573 9.2044 123.8075 55.4172 41.2825 175.5345 109 V 3.9847 8.9519 121.6048 62.9412 32.3381 175.2588 110 G 4.4277 8.7395 113.3995 44.9704 0.0000 171.0773 111 L 5.2507 8.5133 121.4014 52.5366 45.0904 177.1038 112 K 4.1483 8.8897 123.2180 55.2730 33.0467 178.3121 113 K 3.9149 8.4490 119.6102 59.3397 31.9417 177.8806 114 N 4.5808 8.0874 113.9493 52.6058 37.6864 175.8769 115 G 3.5535 8.1975 108.2826 45.3359 0.0000 173.4882 116 S 4.8314 7.9973 114.7675 56.6220 64.6601 173.8798 117 V 4.2494 8.0029 122.2560 62.9701 32.1069 175.5103 118 K 4.4028 8.6182 126.0366 55.6018 33.3628 176.6950 119 R 4.0535 8.4621 123.5775 55.8515 31.2567 177.0435 120 G 3.3308 8.6828 116.3436 48.2800 0.0000 174.1168 121 P 4.2000 0.0000 0.0000 64.2101 31.3580 177.4399 122 R 4.2846 7.8368 116.1796 56.4574 30.4275 176.3296 123 T 5.0629 7.5228 108.1937 59.9025 70.6743 173.2861 124 H 4.7738 7.8531 115.2084 54.9549 30.5501 173.0290 125 Y 3.9436 8.7532 118.2903 59.9051 38.0873 177.0399 126 G 4.0784 9.0153 111.3677 45.5505 0.0000 174.0572 127 Q 4.2094 7.3999 118.4104 55.3120 29.8229 177.1247 128 K 3.8551 8.2889 118.7146 58.6408 32.8537 179.5045 129 A 3.9960 8.0108 121.1795 53.9799 18.3699 178.4740 130 I 4.4055 7.1775 106.0558 60.5483 38.4955 175.2878 131 L 4.3825 7.2361 122.9493 53.9310 42.7110 175.7762 132 F 5.4464 9.3568 122.3023 55.5834 43.4910 174.1234 133 L 5.3019 9.2875 121.2589 52.3725 44.8521 174.0695 134 P 5.1298 0.0000 0.0000 62.5314 32.0366 175.3730 135 L 4.7176 9.0145 126.1219 52.2161 43.5524 174.9089 136 P 4.5780 0.0000 0.0000 62.7042 32.2821 176.6392 137 V 3.7211 8.2015 120.7835 63.2473 31.5211 175.8455 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 1C H 8.44 4.69 0.00 3.06 3.34 0.00 5.85 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.54 4.56 0.00 3.18 3.26 0.00 5.64 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 1E H 7.67 5.09 0.00 3.21 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.89 4.67 0.00 3.33 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.38 4.94 0.00 2.88 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 2 N 8.56 4.64 0.00 2.95 2.78 0.00 0.00 6.86 6.74 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 3 L 8.06 4.83 0.00 1.46 1.40 0.57 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.55 0.00 2.16 2.13 0.00 3.69 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 1.97 1.92 0.00 5 P 0.00 4.26 0.00 2.17 2.19 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 6 G 7.88 3.77 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 0.00 0.00 0.00 7 N 7.99 4.47 0.00 2.56 2.62 0.00 0.00 5.81 7.55 0.00 0.00 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 Y 7.82 4.90 0.00 3.03 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 9 K 8.75 4.12 0.00 1.79 1.90 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.53 7.81 10 K 7.56 4.74 0.00 1.80 1.75 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.40 7.81 11 P 0.00 4.72 0.00 2.08 2.08 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 12 V 9.31 4.75 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 0.84 0.00 0.00 1.03 0.00 0.00 13 L 9.01 5.08 0.00 1.67 1.58 0.49 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.60 4.95 0.00 1.54 1.55 0.30 0.86 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 15 Y 9.21 4.81 0.00 3.32 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 16 C 8.50 3.79 0.00 2.52 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.10 3.95 0.00 3.93 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.06 4.23 0.00 2.54 2.59 0.00 0.00 6.71 7.98 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 19 G 7.55 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 20 G 7.76 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 H 7.39 4.63 0.00 3.03 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.92 5.30 0.00 3.10 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.94 4.60 0.00 1.80 1.49 0.90 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.31 4.93 0.00 1.92 2.04 0.00 3.29 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 25 I 8.21 4.73 1.83 0.00 0.00 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 1.17 0.74 0.88 0.00 0.00 26 L 8.77 4.10 0.00 1.67 1.51 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.15 0.00 1.99 2.11 0.00 3.51 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 28 D 7.97 4.54 0.00 2.79 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 29 G 8.52 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 0.00 0.00 0.00 0.00 30 T 8.24 4.31 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 1.22 0.00 0.00 31 V 8.07 4.83 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 0.89 0.00 0.00 0.93 0.00 0.00 32 D 8.52 4.60 0.00 2.87 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 33 G 8.56 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 34 T 8.80 4.99 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 1.36 0.00 0.00 35 R 8.83 4.29 0.00 1.87 1.98 0.00 3.20 0.00 0.00 3.07 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 36 D 8.19 4.59 0.00 2.84 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 37 R 8.61 3.58 0.00 1.90 1.92 0.00 3.32 0.00 0.00 3.00 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.53 0.00 38 S 8.22 4.38 0.00 3.99 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 39 D 7.77 4.36 0.00 2.78 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 40 Q 8.44 4.31 0.00 1.85 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 41 H 9.14 4.84 0.00 3.32 3.47 0.00 5.78 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 42 I 7.38 4.54 1.90 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.00 1.03 0.00 0.00 43 Q 7.77 4.25 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 44 L 9.06 4.95 0.00 1.55 1.41 0.80 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.19 4.77 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 46 L 8.65 5.21 0.00 1.74 1.48 0.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.40 4.46 0.00 3.85 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 48 A 8.21 4.56 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 49 E 8.52 4.29 0.00 1.63 1.75 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 1.53 1.47 0.00 50 S 7.38 4.56 0.00 3.97 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 51 V 8.36 3.78 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 0.96 0.00 0.00 1.02 0.00 0.00 52 G 9.19 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 0.00 0.00 0.00 53 E 8.53 5.26 0.00 1.81 1.76 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 2.23 2.28 0.00 54 V 9.08 4.89 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 0.67 0.00 0.00 1.25 0.00 0.00 55 Y 8.54 5.42 0.00 3.00 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 56 I 8.52 4.42 1.70 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 0.91 0.62 0.64 0.00 0.00 57 K 8.70 4.74 0.00 1.28 1.47 0.00 1.40 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.00 0.76 7.81 58 S 8.84 4.57 0.00 3.84 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 59 T 8.51 3.90 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 60 E 8.35 4.08 0.00 1.98 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 2.17 2.37 0.00 61 T 8.05 4.38 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 1.24 0.00 0.00 62 G 8.21 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 63 Q 7.57 4.43 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.74 0.00 0.00 0.00 0.00 0.00 2.51 2.34 0.00 64 Y 8.91 4.74 0.00 2.78 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 65 L 8.94 4.37 0.00 1.59 1.46 0.81 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.66 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.64 5.37 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.72 0.00 68 D 9.57 5.25 0.00 2.92 2.88 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 69 T 8.57 3.98 4.33 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 1.26 0.00 0.00 70 D 8.55 4.81 0.00 2.70 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 71 G 8.71 3.38 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 0.00 72 L 8.35 4.84 0.00 1.97 1.63 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.56 5.05 0.00 1.57 1.62 0.91 0.98 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 74 Y 9.15 5.01 0.00 2.95 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 75 G 8.85 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 0.00 0.00 0.00 0.00 76 S 9.03 5.09 0.00 3.73 3.68 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 77 Q 9.01 4.26 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 78 T 7.46 4.63 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 1.20 0.00 0.00 79 P 0.00 3.49 0.00 1.48 0.49 0.00 3.45 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 80 N 7.96 4.97 0.00 2.88 2.89 0.00 0.00 6.01 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 81 E 8.70 3.95 0.00 2.12 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 0.00 2.34 2.29 0.00 82 E 8.68 4.12 0.00 2.30 2.34 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 2.40 2.34 0.00 83 C 7.74 4.90 0.00 3.11 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.22 4.76 0.00 1.61 1.46 0.83 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 85 F 9.06 5.24 0.00 3.21 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 9.29 4.85 0.00 1.56 1.64 0.93 1.04 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 87 E 8.85 4.53 0.00 2.14 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 2.17 1.88 0.00 88 R 8.58 4.83 0.00 1.79 1.82 0.00 3.16 0.00 0.00 2.92 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 89 L 8.64 4.76 0.00 1.52 1.61 0.93 0.78 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 90 E 9.22 4.73 0.00 2.22 1.87 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 2.30 2.44 0.00 91 E 10.16 3.99 0.00 2.42 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 2.32 2.35 0.00 92 N 8.41 4.48 0.00 2.84 2.89 0.00 0.00 6.90 8.16 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 93 H 7.80 4.74 0.00 3.03 2.93 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.03 4.69 0.00 3.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 9.53 5.54 0.00 2.91 2.57 0.00 0.00 6.92 7.09 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 96 T 8.84 5.30 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 1.39 0.00 0.00 97 Y 8.70 5.00 0.00 2.88 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 98 I 8.63 4.58 1.70 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.57 0.57 0.00 0.00 99 S 8.92 3.98 0.00 4.05 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 0.00 100 K 8.76 3.99 0.00 1.73 1.70 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.32 7.81 101 K 7.95 3.75 0.00 1.72 1.65 0.00 1.50 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.24 0.94 7.81 102 H 7.93 4.50 0.00 3.02 2.21 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.65 3.94 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 0.00 104 E 7.84 3.67 0.00 1.52 1.77 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 2.17 2.16 0.00 105 K 7.56 4.15 0.00 0.96 1.47 0.00 1.49 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.00 7.81 106 N 7.68 3.97 0.00 3.05 3.08 0.00 0.00 6.88 7.00 0.00 0.00 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 W 7.73 5.15 0.00 3.30 3.03 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 0.00 108 F 9.20 5.46 0.00 2.87 3.03 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 0.00 109 V 8.95 3.98 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 0.65 0.00 0.00 0.56 0.00 0.00 110 G 8.74 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.51 5.25 0.00 1.48 1.44 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.89 4.15 0.00 1.95 1.67 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.45 7.81 113 K 8.45 3.91 0.00 1.70 1.85 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.44 7.81 114 N 8.09 4.58 0.00 2.78 2.88 0.00 0.00 6.19 7.00 0.00 0.00 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 G 8.20 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.00 4.83 0.00 3.99 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 0.00 117 V 8.00 4.25 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 0.81 0.00 0.00 0.94 0.00 0.00 118 K 8.62 4.40 0.00 1.65 1.67 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.33 7.81 119 R 8.46 4.05 0.00 1.79 1.61 0.00 3.21 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 120 G 8.68 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 0.00 0.00 0.00 121 P 0.00 4.20 0.00 1.91 2.16 0.00 2.96 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 122 R 7.84 4.28 0.00 1.81 1.92 0.00 3.29 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 123 T 7.52 5.06 4.33 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 1.27 0.00 0.00 124 H 7.85 4.77 0.00 3.45 3.53 0.00 5.67 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 0.00 125 Y 8.75 3.94 0.00 3.15 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 0.00 126 G 9.02 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 0.00 127 Q 7.40 4.21 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.74 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 128 K 8.29 3.86 0.00 1.76 1.65 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.28 7.81 129 A 8.01 4.00 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 0.00 130 I 7.18 4.41 1.63 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.98 0.52 0.00 0.00 131 L 7.24 4.38 0.00 0.98 0.51 0.38 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.36 5.45 0.00 3.42 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 0.00 133 L 9.29 5.30 0.00 1.86 1.67 1.13 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.13 0.00 2.17 2.25 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 135 L 9.01 4.72 0.00 1.69 1.66 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.58 0.00 1.93 1.99 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 137 V 8.20 3.72 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 0.69 0.00 0.00 0.96 0.00 0.00