NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 4.0534 8.0549 114.0532 60.5332 32.9534 174.9732 5 P 4.3725 0.0000 0.0000 60.4859 32.2150 174.0106 6 P 4.2874 0.0000 0.0000 62.9380 32.4808 176.7672 7 G 4.0386 8.5350 109.7787 46.0080 0.0000 171.9617 8 D 5.4085 8.6844 119.6757 53.3885 43.2317 174.7056 9 I 4.8214 8.1004 113.9511 58.9336 40.9049 174.2353 10 N 5.0516 8.5068 120.5969 51.6684 40.9913 173.9649 11 T 5.5129 8.2833 112.9448 59.1584 72.6166 172.9907 12 Q 4.8835 8.2284 121.2843 53.2692 32.2454 173.5875 13 P 4.6239 0.0000 0.0000 62.8563 31.9586 176.2158 14 S 4.7822 8.2927 112.1252 59.0815 63.7151 174.7220 15 Q 4.6694 7.5526 115.8532 54.7436 30.8221 174.7035 16 K 4.3149 7.4012 116.0361 56.3865 35.0993 173.8538 17 I 4.5312 8.2207 120.5363 59.0322 41.3020 173.9400 18 V 4.5233 8.2337 127.0991 61.0052 34.2139 174.7041 19 F 4.7047 8.8954 126.7247 55.6731 40.6671 174.5620 20 N 5.1278 8.7666 121.5158 52.7515 38.9305 175.6960 21 A 2.9423 8.6397 125.9727 50.8859 19.2521 175.3324 22 P 4.1104 0.0000 0.0000 61.7544 32.8456 175.8952 23 Y 4.8561 7.6304 116.4888 57.8859 38.0712 176.2683 24 D 4.9247 7.9262 115.4427 54.4337 40.9490 177.1502 25 D 4.7567 7.6326 118.8250 52.8812 45.7772 173.9219 26 K 5.1963 8.4345 120.4371 55.0513 32.6642 175.9642 27 H 4.7258 8.2693 124.7380 54.9309 31.4630 174.2759 28 T 4.7554 7.8267 114.6613 62.4386 71.1834 173.8898 29 Y 4.5556 8.6439 124.6105 57.4527 40.0668 174.5727 30 H 5.4992 8.8900 116.9256 54.2907 32.8273 173.2485 31 I 4.8518 9.0854 121.1847 59.5391 41.5498 174.0595 32 K 4.8255 8.7356 127.8405 54.9385 34.1858 174.8116 33 I 4.5409 8.3857 128.3697 59.7176 39.7302 174.7970 34 T 4.9300 8.2796 122.8344 61.5860 72.7274 172.6478 35 N 4.7183 8.3755 123.0783 52.7343 39.6647 174.9860 36 A 4.4763 8.6516 128.2044 52.1483 20.1307 177.1255 37 G 3.9698 8.2472 104.9840 44.7707 0.0000 173.8948 38 G 4.2318 8.4274 106.2740 44.8396 0.0000 173.1821 39 R 4.6195 7.7973 117.0823 53.5363 34.2261 175.0428 40 R 4.3518 8.6654 122.2005 57.4015 31.1721 174.8852 41 I 5.1624 9.0628 117.2684 59.4155 42.0596 173.7494 42 G 5.0855 9.2762 109.6575 44.4219 0.0000 172.2811 43 W 6.2958 8.5938 119.6733 55.0406 32.6806 173.7596 44 A 4.5499 9.2232 118.9589 51.1363 22.5236 175.3045 45 I 5.7885 8.8936 125.6523 59.3522 39.7179 176.0553 46 K 4.8750 8.7883 129.1023 53.6571 35.7631 172.9814 47 T 5.1822 8.5094 113.4371 59.9536 71.5857 173.9366 48 T 4.4093 7.9395 109.0447 61.6690 69.7051 175.2111 49 N 4.7398 8.5150 124.1382 52.9145 39.8616 175.3443 50 M 4.0988 8.6030 122.0951 57.4056 31.8713 176.8250 51 R 4.0869 8.0668 117.2695 58.5944 30.6968 177.3361 52 R 4.4228 7.9882 115.4152 57.7578 31.5786 176.3007 53 L 5.6965 8.1438 117.4621 53.1949 43.7749 176.1966 54 S 4.6675 8.3117 114.1036 57.4986 66.0132 173.4994 55 V 5.1265 8.2351 122.5113 60.8531 34.5973 174.5685 56 D 4.6108 8.2490 123.4296 52.7004 43.8662 172.9183 57 P 4.8218 0.0000 0.0000 62.3518 32.2511 174.5978 58 P 4.6597 0.0000 0.0000 62.7963 31.8599 174.6381 59 C 3.3622 6.2480 112.4486 56.9700 31.5151 172.1528 60 G 3.6384 5.3800 105.8593 46.2649 0.0000 171.2906 61 V 5.2978 8.1327 118.7413 61.1472 34.7443 175.2536 62 L 4.9152 9.2133 126.3636 53.2348 45.6140 176.2175 63 D 4.9443 9.1791 124.7481 53.5098 41.5526 174.5207 64 P 4.3875 0.0000 0.0000 63.7070 31.7887 178.4392 65 K 4.0906 8.7078 120.1244 56.6388 31.1528 176.3201 66 E 4.1703 7.7178 121.3722 56.0761 30.6012 176.2484 67 K 4.6930 8.4416 125.7423 55.2167 35.2653 175.9253 68 V 4.3656 8.1356 119.3444 60.8084 34.8211 172.6655 69 L 4.8727 8.5764 127.7064 54.3423 43.2576 175.1384 70 M 5.1257 9.2863 122.4624 53.6530 36.0195 173.6236 71 A 4.9095 8.6477 120.3011 50.1761 21.9201 175.3234 72 V 4.5258 8.9361 123.5817 62.2469 33.7700 174.8971 73 S 4.9540 8.7513 123.3918 56.9352 65.6575 172.3702 74 C 4.9420 8.3861 126.0893 57.7407 33.0484 173.1268 75 D 4.9745 8.5431 126.0890 53.8027 41.6364 176.2496 76 T 4.3272 7.4221 116.2483 64.8601 69.2222 174.0324 77 F 4.8035 7.9599 117.2885 55.9863 41.1839 173.8166 78 N 4.3046 9.0570 121.7021 53.3024 38.9152 175.9615 79 A 4.1578 8.7738 126.1197 54.2943 18.7796 177.7312 80 A 4.6904 7.7748 115.5615 52.4713 20.6497 177.6075 81 T 4.0472 8.1029 111.9738 65.5556 68.7705 174.3202 82 E 4.7411 7.6416 119.1320 54.0257 32.6706 175.7966 83 R 4.0842 8.3963 121.3126 56.2953 30.6272 176.6142 84 L 4.3632 8.4421 120.6265 54.4827 42.8602 176.2749 85 N 4.7419 8.2665 118.5216 54.2505 39.8161 175.2194 86 N 4.9755 8.0795 112.3533 52.3873 39.1054 179.3569 87 D 4.9940 7.7349 118.7554 54.9869 43.2693 175.3090 88 R 4.6376 8.2516 116.0119 56.1659 33.7286 173.3928 89 I 4.7747 8.3826 119.0915 60.1595 40.8855 174.7954 90 T 4.9027 8.9190 125.0951 62.2613 70.5351 174.2266 91 I 4.9819 8.7460 127.7842 59.9999 39.1263 174.3303 92 E 5.3818 9.2932 127.9577 55.0428 31.7312 175.8212 93 W 6.2236 8.8665 119.7314 55.9983 32.5382 173.0509 94 T 4.2867 8.4570 112.2051 61.8506 69.8004 171.7346 95 N 5.2453 8.8698 123.3238 53.2317 39.6315 174.8397 96 T 3.3635 7.9207 112.8225 59.9037 70.2081 172.6621 97 P 3.9130 0.0000 0.0000 62.7501 32.6573 173.8258 98 D 4.4554 8.6864 124.0871 54.6389 40.4928 176.4910 99 G 3.7391 8.4731 117.7158 46.4753 0.0000 172.0438 100 A 4.2847 7.7758 121.4404 50.6381 19.7949 177.6324 101 A 4.3617 8.2419 122.2263 51.9475 20.3015 177.3172 102 K 4.6388 8.3443 116.6186 55.9321 31.6445 176.6566 103 Q 4.5264 7.7459 118.7520 53.7960 32.1683 174.0410 104 F 4.1803 8.9573 127.5692 58.4478 39.9902 174.2221 105 R 3.6888 5.8400 127.7072 54.2036 32.8045 177.2207 106 R 3.3581 7.7242 121.1932 58.4097 30.0155 175.0687 107 E 3.9326 7.6313 115.7304 60.0606 29.1297 179.0095 108 W 4.6273 7.1372 117.6139 59.7599 29.1434 177.8182 109 F 4.6506 8.1932 115.8102 58.6692 38.8587 176.4485 110 Q 4.4312 8.0200 115.4191 55.7908 29.4551 175.9757 111 G 3.8723 7.7670 106.8292 44.4439 0.0000 172.8018 112 D 4.5484 8.6337 119.6087 55.0106 40.4926 176.5408 113 G 3.9408 7.3461 115.0642 46.2542 0.0000 170.8424 114 M 4.4320 8.5048 122.8327 53.6476 34.1547 175.3422 115 V 3.9758 8.0980 126.6013 61.5267 32.9781 174.7835 116 R 4.1870 8.2420 131.0385 55.1629 31.8568 175.6102 117 R 5.2524 8.0635 124.7646 54.9512 33.5009 173.5789 118 K 4.6979 9.1301 121.9927 54.9464 35.4693 175.0863 119 N 5.1965 8.9545 124.5415 52.3447 40.6686 174.9436 120 L 4.6289 8.3283 120.3851 52.2805 45.1823 174.4979 121 P 4.5263 0.0000 0.0000 62.5263 32.7646 175.6770 122 I 3.9814 7.6152 124.1698 60.2403 38.3073 174.8334 123 E 4.2807 8.4966 128.2601 54.6142 31.9135 174.4029 124 Y 5.0145 8.4929 125.3441 56.8211 38.1428 174.4080 125 N 4.6790 9.0020 123.4532 52.4539 39.4217 175.0123 126 L 4.2967 8.4525 124.8215 54.9201 41.8523 177.3622 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 V 8.05 4.05 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 0.89 0.00 0.00 0.92 0.00 0.00 5 P 0.00 4.37 0.00 2.08 1.92 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 6 P 0.00 4.29 0.00 1.82 1.89 0.00 3.81 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 1.67 1.86 0.00 7 G 8.54 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.68 5.41 0.00 2.88 2.61 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 9 I 8.10 4.82 1.49 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.42 -0.16 0.00 0.00 10 N 8.51 5.05 0.00 2.57 2.67 0.00 0.00 6.87 7.16 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 11 T 8.28 5.51 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 1.02 0.00 0.00 12 Q 8.23 4.88 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 13 P 0.00 4.62 0.00 2.34 2.05 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 1.96 1.90 0.00 14 S 8.29 4.78 0.00 3.97 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 0.00 15 Q 7.55 4.67 0.00 1.87 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.92 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 16 K 7.40 4.31 0.00 1.68 1.66 0.00 1.48 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.15 1.25 7.81 17 I 8.22 4.53 1.76 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.43 0.41 0.00 0.00 18 V 8.23 4.52 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.85 0.00 0.00 19 F 8.90 4.70 0.00 2.90 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 20 N 8.77 5.13 0.00 2.86 2.80 0.00 0.00 6.99 7.23 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 21 A 8.64 2.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.11 0.00 2.08 1.93 0.00 3.32 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 23 Y 7.63 4.86 0.00 2.34 2.55 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 24 D 7.93 4.92 0.00 2.51 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 25 D 7.63 4.76 0.00 2.34 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 26 K 8.43 5.20 0.00 1.73 1.69 0.00 1.72 0.00 0.00 2.39 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.40 7.81 27 H 8.27 4.73 0.00 2.98 3.01 0.00 5.61 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.83 4.76 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 1.20 0.00 0.00 29 Y 8.64 4.56 0.00 3.16 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 H 8.89 5.50 0.00 2.99 3.20 0.00 5.84 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 31 I 9.09 4.85 1.83 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 1.13 0.85 0.91 0.00 0.00 32 K 8.74 4.83 0.00 1.80 1.59 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.34 7.81 33 I 8.39 4.54 1.22 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.31 0.39 0.00 0.00 34 T 8.28 4.93 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 35 N 8.38 4.72 0.00 2.74 2.82 0.00 0.00 7.05 7.58 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 36 A 8.65 4.48 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.25 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 38 G 8.43 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 39 R 7.80 4.62 0.00 2.10 1.88 0.00 3.36 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.17 0.00 40 R 8.67 4.35 0.00 1.91 1.81 0.00 3.09 0.00 0.00 3.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 41 I 9.06 5.16 2.43 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.02 1.15 0.00 0.00 42 G 9.28 5.09 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 0.00 0.00 0.00 43 W 8.59 6.30 0.00 3.54 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 44 A 9.22 4.55 0.82 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 0.00 0.00 45 I 8.89 5.79 2.04 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 1.35 1.70 1.06 0.00 0.00 46 K 8.79 4.87 0.00 1.40 1.62 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 0.96 7.81 47 T 8.51 5.18 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 1.27 0.00 0.00 48 T 7.94 4.41 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 49 N 8.52 4.74 0.00 2.84 2.68 0.00 0.00 7.30 7.73 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 50 M 8.60 4.10 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.13 0.00 51 R 8.07 4.09 0.00 1.78 2.04 0.00 3.14 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 52 R 7.99 4.42 0.00 1.91 1.89 0.00 2.77 0.00 0.00 2.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 53 L 8.14 5.70 0.00 1.74 1.66 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.31 4.67 0.00 3.88 3.93 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 55 V 8.24 5.13 2.16 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 1.31 0.00 0.00 1.00 0.00 0.00 56 D 8.25 4.61 0.00 2.75 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 0.00 0.00 0.00 0.00 57 P 0.00 4.82 0.00 2.41 2.10 0.00 3.94 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.13 0.00 58 P 0.00 4.66 0.00 2.19 2.32 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 59 C 6.25 3.36 0.00 1.30 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 60 G 5.38 3.64 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 0.00 0.00 0.00 61 V 8.13 5.30 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 1.03 0.00 0.00 1.26 0.00 0.00 62 L 9.21 4.92 0.00 1.84 1.60 1.19 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 63 D 9.18 4.94 0.00 2.78 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 64 P 0.00 4.39 0.00 2.19 2.20 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 65 K 8.71 4.09 0.00 1.94 2.00 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.36 7.81 66 E 7.72 4.17 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 67 K 8.44 4.69 0.00 1.63 1.66 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.39 7.81 68 V 8.14 4.37 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 0.25 0.00 0.00 1.00 0.00 0.00 69 L 8.58 4.87 0.00 1.65 1.62 0.92 0.92 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 70 M 9.29 5.13 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.33 0.00 71 A 8.65 4.91 1.15 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 0.00 0.00 72 V 8.94 4.53 2.30 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 1.14 0.00 0.00 1.04 0.00 0.00 73 S 8.75 4.95 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 74 C 8.39 4.94 0.00 2.58 2.83 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 75 D 8.54 4.97 0.00 2.77 2.67 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 76 T 7.42 4.33 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 1.21 0.00 0.00 77 F 7.96 4.80 0.00 3.25 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 78 N 9.06 4.30 0.00 2.82 2.83 0.00 0.00 7.02 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 79 A 8.77 4.16 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 80 A 7.77 4.69 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.10 4.05 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 1.24 0.00 0.00 82 E 7.64 4.74 0.00 1.91 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 2.24 2.47 0.00 83 R 8.40 4.08 0.00 1.74 1.83 0.00 3.13 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 84 L 8.44 4.36 0.00 1.66 1.75 1.04 0.48 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 85 N 8.27 4.74 0.00 2.66 2.82 0.00 0.00 6.74 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 86 N 8.08 4.98 0.00 2.74 2.63 0.00 0.00 6.72 8.06 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 87 D 7.73 4.99 0.00 2.65 2.61 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 88 R 8.25 4.64 0.00 1.91 1.95 0.00 2.72 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 89 I 8.38 4.77 1.85 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 1.27 1.17 0.94 0.00 0.00 90 T 8.92 4.90 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 1.33 0.00 0.00 91 I 8.75 4.98 2.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 0.97 0.00 0.00 92 E 9.29 5.38 0.00 2.46 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 2.45 2.52 0.00 93 W 8.87 6.22 0.00 3.75 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.46 4.29 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 95 N 8.87 5.25 0.00 2.62 2.69 0.00 0.00 6.96 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 96 T 7.92 3.36 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 97 P 0.00 3.91 0.00 1.97 1.99 0.00 2.20 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 98 D 8.69 4.46 0.00 2.60 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.47 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 0.00 100 A 7.78 4.28 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 0.00 101 A 8.24 4.36 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 0.00 102 K 8.34 4.64 0.00 1.77 1.81 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.49 7.81 103 Q 7.75 4.53 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 104 F 8.96 4.18 0.00 2.78 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 0.00 105 R 5.84 3.69 0.00 0.67 1.13 0.00 3.27 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 106 R 7.72 3.36 0.00 1.73 1.95 0.00 3.26 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.23 0.00 107 E 7.63 3.93 0.00 1.69 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 2.29 2.32 0.00 108 W 7.14 4.63 0.00 3.45 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 0.00 109 F 8.19 4.65 0.00 3.07 3.17 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 0.00 110 Q 8.02 4.43 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 111 G 7.77 3.87 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 0.00 0.00 0.00 112 D 8.63 4.55 0.00 2.68 2.67 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 0.00 113 G 7.35 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 0.00 114 M 8.50 4.43 0.00 1.82 1.86 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 115 V 8.10 3.98 1.81 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 0.32 0.00 0.00 0.35 0.00 0.00 116 R 8.24 4.19 0.00 1.08 0.66 0.00 2.85 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.16 0.00 117 R 8.06 5.25 0.00 1.59 1.63 0.00 3.26 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.15 0.00 118 K 9.13 4.70 0.00 2.16 1.91 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.49 7.81 119 N 8.95 5.20 0.00 2.66 2.72 0.00 0.00 6.91 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 0.00 120 L 8.33 4.63 0.00 1.49 1.47 0.87 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.53 0.00 1.96 1.89 0.00 3.68 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 2.05 2.07 0.00 122 I 7.62 3.98 1.37 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 0.98 0.54 -0.76 0.00 0.00 123 E 8.50 4.28 0.00 1.77 1.60 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 2.15 2.17 0.00 124 Y 8.49 5.01 0.00 3.01 3.10 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 0.00 125 N 9.00 4.68 0.00 2.93 2.85 0.00 0.00 7.08 7.12 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 0.00 126 L 8.45 4.30 0.00 1.76 1.65 1.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00