NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2526 8.3001 120.3291 56.2448 32.8699 172.8707 2 A 3.8001 8.9943 129.9240 51.8571 17.4086 175.2057 3 T 4.7119 7.2965 110.6951 62.1360 74.2792 171.1477 4 K 4.5241 8.4065 122.8781 54.8166 35.2404 174.5112 5 I 4.6357 8.5098 127.6388 58.8379 40.3637 174.6646 6 D 4.8561 8.3555 128.1507 53.6400 41.6919 178.2137 7 K 3.7505 8.0782 119.6126 59.3592 32.1016 176.6353 8 E 3.8464 8.1738 120.2096 59.6051 29.2607 178.1489 9 A 3.9360 8.5435 120.9905 54.9164 17.8583 178.9397 10 C 3.9212 7.7091 113.8257 63.2346 28.1659 176.1096 11 R 3.9809 8.5196 119.6934 59.9136 29.4069 177.7794 12 A 3.9248 7.8459 119.3377 55.4609 18.2226 179.3038 13 A 4.1939 7.8164 118.5831 55.1453 18.7601 178.2256 14 Y 4.0914 9.0710 116.8345 62.1598 38.9468 178.1525 15 N 3.9679 8.1220 116.8552 55.7811 38.7055 177.5088 16 L 4.0075 7.5655 120.4384 57.6077 41.9638 178.5171 17 V 3.7863 8.5180 117.5420 64.3154 31.5022 175.8783 18 R 4.6949 7.6053 116.2296 56.9067 30.6980 175.2872 19 D 4.7829 8.7801 117.6850 54.5250 41.9788 175.4398 20 D 4.8093 8.5747 119.5001 54.3936 40.7612 177.3285 21 G 3.7985 7.4261 106.5833 45.5274 0.0000 175.5122 22 S 4.0603 8.3914 114.3813 61.1815 63.5978 177.3208 23 A 3.8632 8.1031 119.3939 52.0440 17.0297 176.7061 24 V 3.5437 7.0451 115.3717 61.2603 30.5934 175.6017 25 I 3.9891 8.2387 128.0250 63.8757 38.3298 174.6672 26 W 6.1601 6.9921 113.6852 54.6839 31.6611 174.0780 27 V 4.9685 8.9426 112.3577 59.9508 35.6201 174.7652 28 T 5.0549 9.2379 113.8944 58.6947 70.7517 172.8138 29 F 5.6695 7.2703 118.0625 55.1273 41.7764 173.7303 30 R 4.4999 8.3862 115.2733 54.2519 32.9781 174.5782 31 Y 4.4183 8.1555 118.7199 58.8894 38.4569 175.0833 32 D 4.6953 9.3495 126.0883 52.4549 40.4727 178.3156 33 G 3.9844 8.4462 117.9557 46.9973 0.0000 172.7866 34 A 4.8362 8.7552 125.9288 51.4859 19.4983 176.4181 35 T 5.1077 7.7532 114.3929 63.8223 73.8692 173.5385 36 I 4.6428 8.4149 125.1269 60.1896 38.4078 175.2378 37 V 4.7585 8.6639 120.0678 58.7231 36.1930 173.4169 38 P 4.4287 0.0000 0.0000 61.3087 32.0238 176.1400 39 G 4.1694 9.0252 106.7662 47.2784 0.0000 171.5304 40 D 5.1169 7.8657 118.2683 53.6567 46.1976 173.4877 41 Q 4.4007 8.1809 115.3282 57.1618 30.8758 173.4834 42 G 2.9186 7.0374 101.3298 45.6095 0.0000 174.2139 43 A 4.6435 8.5703 124.8113 51.8573 20.3194 175.3579 44 D 4.7025 7.1920 114.4251 52.3393 45.2812 175.8787 45 Y 4.5307 8.9905 120.1116 61.4922 38.8362 177.1779 46 Q 3.8976 8.6027 118.5819 59.4730 28.6579 179.1799 47 H 4.1853 8.1613 118.0089 59.2926 29.9427 177.0619 48 F 4.0384 8.7424 116.8446 60.2947 36.9983 177.8416 49 I 2.8838 6.4451 119.5424 63.7238 36.6811 177.1926 50 Q 4.3356 7.6157 116.8320 56.5386 28.8737 175.8185 51 Q 4.5476 7.3151 117.3258 56.3125 31.2910 176.0492 52 C 3.6039 7.7806 113.5114 58.0124 30.3515 173.7345 53 T 4.4493 7.5546 112.2508 60.9145 69.9314 173.8229 54 D 4.7525 9.2390 125.9651 54.9052 39.4556 176.8316 55 D 5.0336 8.1163 118.9480 53.9726 41.5302 175.4859 56 V 4.8646 8.1719 119.0622 60.3364 35.5428 173.8419 57 R 5.6932 8.4974 116.5455 53.5569 32.3046 174.1030 58 L 3.8806 8.1198 120.1422 55.4182 43.3258 172.9055 59 F 5.1967 7.0483 118.1018 56.0923 41.4457 175.0273 60 A 4.7827 9.7477 122.3694 50.4179 22.9559 175.6499 61 F 5.2893 8.9309 123.0581 56.5413 41.2654 173.3794 62 V 5.2210 8.4982 124.5617 58.5672 35.0300 174.4986 63 R 3.9016 8.1070 122.7266 55.2646 30.4767 175.5513 64 F 4.8460 8.2467 124.8729 56.1160 41.5888 175.8802 65 T 4.2887 8.5429 117.5810 63.9613 69.0868 174.8748 66 T 4.3404 8.5419 120.1311 62.7839 70.7232 174.7515 67 G 4.0262 7.9999 108.6147 45.9130 0.0000 171.9372 68 D 4.1037 7.1214 122.4125 54.4205 47.3800 176.0105 69 A 4.0262 7.6979 132.1126 52.7877 18.1343 178.1830 70 M 4.0584 8.6076 119.1176 57.7594 31.4658 176.8356 71 S 4.0268 8.1870 116.6314 59.7211 62.2644 174.1586 72 K 3.7912 9.1198 122.2439 56.2140 30.4104 176.1667 73 R 3.8361 7.7073 114.4445 54.9595 27.5718 175.4422 74 S 5.4594 7.0329 119.2141 58.3536 66.1463 177.2998 75 K 4.7997 9.0881 125.7865 55.0297 35.3461 174.8318 76 F 5.2318 8.7970 120.8041 55.8232 42.4100 173.9264 77 A 5.6444 9.0834 123.7418 50.0157 23.3249 174.2518 78 L 4.3185 8.4567 120.2944 53.1775 44.8573 175.1875 79 I 5.6170 9.1264 124.8858 58.8543 41.6238 174.3514 80 T 4.6971 8.6305 121.5153 61.6988 71.3581 173.2357 81 W 4.7754 9.1407 135.0000 56.0627 32.8338 174.5387 82 I 4.1066 7.0629 129.7917 58.9679 36.4679 176.1427 83 G 3.8995 7.9010 113.4377 45.0304 0.0000 170.3231 84 E 4.6418 8.9586 121.9605 54.5487 29.1661 176.6910 85 D 4.4370 7.7125 112.2372 54.9959 42.8919 174.6218 86 V 4.1080 7.5449 117.3782 60.7550 32.8042 175.2518 87 S 4.3897 8.2714 118.1136 57.9420 63.7816 174.9948 88 G 3.7561 8.3877 106.0127 47.0531 0.0000 175.0969 89 L 4.0382 7.8948 121.6232 57.6796 41.5456 178.8102 90 Q 3.7405 7.9369 117.9995 58.9866 28.2957 178.9824 91 R 3.7396 7.4066 118.8354 59.7279 29.9033 178.4223 92 A 4.0556 7.7047 119.6946 54.4820 18.2608 179.6611 93 K 3.9030 7.6323 118.1664 59.9315 32.3674 178.6024 94 T 4.5667 7.4954 117.9801 66.1292 68.1716 176.1681 95 G 3.9652 7.4607 104.6422 48.4175 0.0000 175.4735 96 T 4.0736 7.5898 117.2566 66.1540 68.5081 176.7926 97 D 4.5212 8.9261 121.3943 57.2051 40.8421 178.8240 98 K 3.6918 9.1689 120.3657 60.3459 32.4043 179.0436 99 T 4.0120 7.6755 115.2712 65.8883 68.1575 176.8825 100 L 3.9686 7.9667 121.3279 57.8106 41.9386 179.5666 101 V 3.6502 7.5890 118.4845 64.5693 31.0479 178.0703 102 K 3.7650 7.4415 119.8336 59.3404 32.3774 178.4599 103 E 4.1322 8.1008 118.2573 58.5275 29.0537 177.6683 104 V 4.3268 7.1411 118.2653 62.8831 31.7635 175.5053 105 V 4.2828 7.2861 118.1168 60.0184 32.2254 176.4394 106 Q 4.7627 8.8420 121.4434 56.4487 29.4619 174.8258 107 N 4.9890 9.5485 116.6980 52.2409 39.8135 173.7817 108 F 5.1489 8.7330 113.0751 56.4136 40.5927 171.5940 109 A 4.2742 8.0538 119.0940 53.3436 20.5574 177.0410 110 K 3.8788 6.9156 113.7496 55.3110 35.6304 173.7811 111 E 4.9356 8.5268 124.8837 54.8285 32.2629 174.4649 112 F 5.1373 9.4381 121.0788 55.8458 43.8566 173.8731 113 V 4.9106 8.7466 119.1887 61.5136 34.0604 174.4299 114 I 4.8997 8.4916 124.5038 60.0747 41.8893 176.0847 115 S 4.3673 8.5062 115.7188 58.1696 65.7915 173.4125 116 D 4.8268 7.6104 119.0918 52.6789 44.2393 175.8924 117 R 4.0987 8.9163 123.7250 59.2425 30.3785 178.7530 118 K 4.1415 7.8332 115.0691 58.6414 32.0553 177.4198 119 E 3.6353 7.6608 116.4324 56.5658 29.4691 176.5628 120 L 4.4970 7.5394 118.6194 54.6511 41.9321 177.2285 121 E 4.4473 7.8242 119.0536 55.8208 31.5280 177.5524 122 E 3.6292 8.6155 120.8511 59.6091 29.5003 178.9561 123 D 4.5242 8.0408 119.4931 54.8106 38.8887 177.8967 124 F 4.2223 7.7379 122.3155 61.2566 39.6979 177.2845 125 I 2.8904 7.0912 118.5859 63.2644 36.7372 178.5336 126 R 3.5654 7.8803 120.2994 59.4159 29.8422 178.4879 127 S 4.1082 7.1931 109.9271 60.4698 62.6270 175.2567 128 E 3.8091 7.0975 121.0666 59.0767 29.0033 178.5617 129 L 4.1447 7.4899 118.8575 57.8984 41.6315 179.3786 130 K 3.8488 7.6615 116.7893 60.0475 31.9511 178.4930 131 K 3.9943 7.8472 118.5656 55.4896 33.2952 176.8028 132 A 3.7571 7.9235 121.3956 52.2795 17.0176 178.3038 133 G 4.1602 7.6208 107.7875 43.1190 0.0000 173.1355 134 G 3.8350 8.1153 105.6217 46.5574 0.0000 172.2321 135 A 4.7442 8.5711 124.4965 51.6697 20.2551 176.5690 136 N 4.5416 8.2782 113.9880 54.6550 37.5110 175.9511 137 Y 4.0258 8.1955 122.2317 61.1394 38.7688 177.4861 138 D 4.7058 8.2674 114.9356 54.3444 39.6582 176.0374 139 A 4.4450 9.2053 122.8976 51.5098 18.9450 177.0816 140 Q 3.1822 8.3896 114.5664 57.3329 26.9263 175.1533 141 S 3.7379 8.1199 112.8198 57.4526 62.6191 170.8289 142 E 4.2304 8.2851 117.5633 56.5528 29.4791 175.0648 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 M 8.30 4.25 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 2 A 8.99 3.80 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 3 T 7.30 4.71 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 1.33 0.00 0.00 4 K 8.41 4.52 0.00 1.92 1.64 0.00 1.49 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.40 7.81 5 I 8.51 4.64 1.89 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 1.14 0.84 0.89 0.00 0.00 6 D 8.36 4.86 0.00 2.76 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 7 K 8.08 3.75 0.00 1.92 1.97 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.47 7.81 8 E 8.17 3.85 0.00 2.05 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 2.35 2.36 0.00 9 A 8.54 3.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 C 7.71 3.92 0.00 2.86 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 11 R 8.52 3.98 0.00 1.85 2.19 0.00 3.14 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 12 A 7.85 3.92 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 13 A 7.82 4.19 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 14 Y 9.07 4.09 0.00 2.81 2.94 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 15 N 8.12 3.97 0.00 2.54 2.52 0.00 0.00 5.44 5.92 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 16 L 7.57 4.01 0.00 1.84 1.72 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.52 3.79 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 1.19 0.00 0.00 1.14 0.00 0.00 18 R 7.61 4.69 0.00 1.76 1.93 0.00 3.32 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 19 D 8.78 4.78 0.00 2.72 2.57 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 20 D 8.57 4.81 0.00 2.64 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 21 G 7.43 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 22 S 8.39 4.06 0.00 3.89 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 23 A 8.10 3.86 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 24 V 7.05 3.54 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 0.68 0.00 0.00 0.86 0.00 0.00 25 I 8.24 3.99 1.88 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.35 0.70 0.00 0.00 26 W 6.99 6.16 0.00 3.51 3.07 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 0.00 27 V 8.94 4.97 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 1.02 0.00 0.00 1.25 0.00 0.00 28 T 9.24 5.05 4.11 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 0.97 0.00 0.00 29 F 7.27 5.67 0.00 3.14 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 30 R 8.39 4.50 0.00 1.75 1.87 0.00 3.12 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 31 Y 8.16 4.42 0.00 3.27 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 32 D 9.35 4.70 0.00 2.87 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 33 G 8.45 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 0.00 0.00 0.00 34 A 8.76 4.84 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 35 T 7.75 5.11 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 36 I 8.41 4.64 1.93 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.42 1.07 0.00 0.00 37 V 8.66 4.76 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 0.98 0.00 0.00 1.07 0.00 0.00 38 P 0.00 4.43 0.00 2.11 2.09 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 39 G 9.03 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.87 5.12 0.00 2.68 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.18 4.40 0.00 1.69 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.36 0.00 0.00 0.00 0.00 0.00 2.15 2.36 0.00 42 G 7.04 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 0.00 0.00 0.00 43 A 8.57 4.64 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.19 4.70 0.00 2.79 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 45 Y 8.99 4.53 0.00 3.25 3.29 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 46 Q 8.60 3.90 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.97 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 47 H 8.16 4.19 0.00 3.29 3.51 0.00 5.64 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 48 F 8.74 4.04 0.00 2.63 3.07 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 0.00 49 I 6.45 2.88 1.60 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.10 0.61 0.00 0.00 50 Q 7.62 4.34 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 51 Q 7.32 4.55 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.14 0.00 0.00 0.00 0.00 0.00 2.34 2.65 0.00 52 C 7.78 3.60 0.00 2.46 2.84 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 53 T 7.55 4.45 4.34 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 1.26 0.00 0.00 54 D 9.24 4.75 0.00 2.95 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 55 D 8.12 5.03 0.00 2.72 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 56 V 8.17 4.86 2.21 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 1.10 0.00 0.00 1.01 0.00 0.00 57 R 8.50 5.69 0.00 1.80 1.84 0.00 2.67 0.00 0.00 3.91 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 58 L 8.12 3.88 0.00 1.56 1.62 0.69 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 59 F 7.05 5.20 0.00 2.72 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 60 A 9.75 4.78 0.91 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 0.00 0.00 0.00 0.00 0.00 61 F 8.93 5.29 0.00 3.28 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 62 V 8.50 5.22 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 1.10 0.00 0.00 -0.27 0.00 0.00 63 R 8.11 3.90 0.00 0.76 1.49 0.00 3.31 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.53 0.00 64 F 8.25 4.85 0.00 3.07 2.86 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 0.00 0.00 0.00 65 T 8.54 4.29 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 66 T 8.54 4.34 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 1.24 0.00 0.00 67 G 8.00 4.03 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 0.00 0.00 0.00 68 D 7.12 4.10 0.00 2.79 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 69 A 7.70 4.03 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 70 M 8.61 4.06 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 71 S 8.19 4.03 0.00 3.96 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 72 K 9.12 3.79 0.00 1.94 1.97 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.53 7.81 73 R 7.71 3.84 0.00 1.92 1.93 0.00 3.32 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 74 S 7.03 5.46 0.00 4.08 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 75 K 9.09 4.80 0.00 1.85 1.80 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.20 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.56 7.81 76 F 8.80 5.23 0.00 3.26 3.44 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 77 A 9.08 5.64 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.46 4.32 0.00 0.51 1.14 0.45 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 79 I 9.13 5.62 1.91 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 2.03 0.97 0.00 0.00 80 T 8.63 4.70 4.35 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 1.36 0.00 0.00 81 W 9.14 4.78 0.00 3.18 3.04 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 82 I 7.06 4.11 1.57 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.92 0.75 0.00 0.00 83 G 7.90 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 0.00 0.00 0.00 84 E 8.96 4.64 0.00 1.67 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 0.00 2.16 2.20 0.00 85 D 7.71 4.44 0.00 2.73 2.57 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 86 V 7.54 4.11 2.04 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 0.90 0.00 0.00 0.93 0.00 0.00 87 S 8.27 4.39 0.00 4.00 3.86 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 0.00 0.00 0.00 88 G 8.39 3.76 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 0.00 0.00 0.00 89 L 7.89 4.04 0.00 1.67 1.61 0.91 0.89 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 90 Q 7.94 3.74 0.00 1.90 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.30 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 91 R 7.41 3.74 0.00 1.91 1.93 0.00 3.19 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 92 A 7.70 4.06 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 93 K 7.63 3.90 0.00 1.72 1.51 0.00 1.62 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.95 7.81 94 T 7.50 4.57 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 1.44 0.00 0.00 95 G 7.46 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 96 T 7.59 4.07 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 1.23 0.00 0.00 97 D 8.93 4.52 0.00 3.05 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 98 K 9.17 3.69 0.00 2.11 2.63 0.00 1.22 0.00 0.00 1.74 0.00 0.00 3.21 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.80 7.81 99 T 7.68 4.01 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 1.21 0.00 0.00 100 L 7.97 3.97 0.00 1.78 1.71 1.00 0.78 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 0.00 101 V 7.59 3.65 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 0.57 0.00 0.00 0.82 0.00 0.00 102 K 7.44 3.76 0.00 1.62 2.01 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.40 7.81 103 E 8.10 4.13 0.00 2.16 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 2.33 2.53 0.00 104 V 7.14 4.33 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 0.74 0.00 0.00 0.93 0.00 0.00 105 V 7.29 4.28 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 0.73 0.00 0.00 -0.55 0.00 0.00 106 Q 8.84 4.76 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.42 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 107 N 9.55 4.99 0.00 1.44 2.18 0.00 0.00 6.06 5.12 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 0.00 108 F 8.73 5.15 0.00 3.73 3.59 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 0.00 109 A 8.05 4.27 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 6.92 3.88 0.00 1.48 1.14 0.00 0.61 0.00 0.00 1.37 0.00 0.00 2.63 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.07 1.17 7.81 111 E 8.53 4.94 0.00 2.09 1.80 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 2.32 2.18 0.00 112 F 9.44 5.14 0.00 3.01 2.86 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 0.00 0.00 0.00 113 V 8.75 4.91 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.08 0.00 0.00 114 I 8.49 4.90 2.24 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 1.34 1.02 1.10 0.00 0.00 115 S 8.51 4.37 0.00 3.65 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 0.00 116 D 7.61 4.83 0.00 2.58 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 0.00 117 R 8.92 4.10 0.00 1.95 2.02 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 118 K 7.83 4.14 0.00 1.80 1.81 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.47 7.81 119 E 7.66 3.64 0.00 1.96 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.10 0.00 120 L 7.54 4.50 0.00 1.54 0.27 0.43 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.82 4.45 0.00 2.06 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 2.49 2.41 0.00 122 E 8.62 3.63 0.00 2.04 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 2.30 2.32 0.00 123 D 8.04 4.52 0.00 2.94 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 0.00 124 F 7.74 4.22 0.00 3.06 3.26 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 0.00 125 I 7.09 2.89 0.86 0.00 0.00 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 1.04 1.37 0.36 0.00 0.00 126 R 7.88 3.57 0.00 1.78 1.75 0.00 3.03 0.00 0.00 3.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 127 S 7.19 4.11 0.00 3.93 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 7.10 3.81 0.00 1.21 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 129 L 7.49 4.14 0.00 1.67 1.74 1.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.66 3.85 0.00 1.70 1.88 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.47 7.81 131 K 7.85 3.99 0.00 1.96 1.80 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.43 7.81 132 A 7.92 3.76 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 0.00 133 G 7.62 4.16 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 0.00 0.00 0.00 134 G 8.12 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 0.00 0.00 0.00 135 A 8.57 4.74 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 0.00 136 N 8.28 4.54 0.00 2.88 3.10 0.00 0.00 5.74 7.57 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 0.00 137 Y 8.20 4.03 0.00 3.09 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 0.00 138 D 8.27 4.71 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 9.21 4.45 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 0.00 140 Q 8.39 3.18 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 5.94 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 141 S 8.12 3.74 0.00 3.88 3.82 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 0.00 142 E 8.29 4.23 0.00 2.03 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 0.00 2.15 2.27 0.00