NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5219 8.3049 120.6086 55.5517 32.8726 173.3227 2 E 4.0791 9.5150 125.9982 55.2966 30.4981 175.2962 3 H 4.5774 9.0961 122.9589 54.5413 28.8445 173.9367 4 V 4.3215 7.8837 120.9494 60.6926 34.7466 174.3715 5 A 4.5771 8.4483 129.6313 50.3628 19.9944 176.1436 6 F 3.0343 8.8141 124.7501 59.8936 39.4768 175.6045 7 G 3.5815 7.7543 115.8850 44.8456 0.0000 173.6652 8 S 4.1002 7.3402 115.4556 59.0510 63.8773 174.6943 9 E 4.0870 8.8512 123.6673 59.8005 29.6584 178.9592 10 D 5.0991 7.7487 117.5619 54.4688 41.7826 178.7186 11 I 3.5682 7.6361 121.6099 64.2204 37.6946 176.5441 12 E 4.1418 8.1197 117.0037 59.3355 29.5629 178.5454 13 N 4.5416 8.0932 117.6717 56.4821 38.1936 177.4827 14 T 3.8823 7.8099 116.6469 66.5337 68.1665 175.9718 15 L 4.1908 7.9087 118.8750 55.9839 41.5621 178.8674 16 A 4.2540 7.6136 121.4470 54.5755 18.4332 178.6644 17 K 4.1165 7.6660 114.7556 58.8642 33.2672 177.3425 18 M 5.2961 7.2050 117.8981 54.1739 33.2156 174.5127 19 D 5.1907 8.1769 119.6607 52.1092 44.4211 176.6651 20 D 5.1096 8.3704 120.6109 56.5946 39.3583 178.2935 21 G 3.8152 8.1235 106.7743 47.8310 0.0000 175.5135 22 Q 4.1001 8.0835 120.5328 58.0739 28.5705 178.8984 23 L 4.0226 8.0213 120.4067 57.6858 41.4331 178.8067 24 D 4.4437 8.0910 117.5117 56.2823 41.0145 177.0170 25 G 3.9637 7.8198 108.1569 45.1873 0.0000 173.5448 26 L 4.1246 7.1204 119.2461 53.3148 42.4461 177.1815 27 A 4.1461 7.8988 123.2695 53.5819 18.8083 177.1777 28 F 5.0956 6.6735 109.3921 54.2451 41.7548 174.9672 29 G 3.9860 9.4457 107.1143 46.1964 0.0000 172.4785 30 A 5.5302 9.5188 125.6394 50.2689 22.7399 174.8640 31 I 4.9361 9.0989 123.3481 59.4666 41.0982 174.1815 32 Q 4.4316 8.8451 128.4955 54.3190 30.6471 174.2661 33 L 5.3251 8.6515 126.7909 53.0036 45.4990 176.5098 34 D 5.4208 8.1820 121.0776 51.4725 41.2863 177.2668 35 G 4.0692 8.6790 106.2017 47.3493 0.0000 173.9549 36 D 4.8055 8.5922 118.0991 54.1694 41.4670 177.0935 37 G 4.1476 8.5894 108.4686 45.0928 0.0000 173.5030 38 N 4.8643 8.6277 118.0765 52.9168 39.3980 174.1660 39 I 4.3073 8.4264 123.3556 61.2932 37.7432 176.2472 40 L 4.3230 9.2818 127.8782 56.0866 43.1792 177.1769 41 Q 4.7454 7.6916 115.5605 54.5521 33.5327 174.5486 42 Y 4.6553 8.4894 122.6189 57.2502 40.7784 173.7613 43 N 4.9901 8.7380 125.7793 51.6478 39.9297 176.1619 44 A 4.0258 9.2184 120.2585 55.4584 18.1600 179.7183 45 A 4.0992 7.9451 118.6784 55.2991 18.1515 179.4068 46 Q 4.0128 8.3306 117.7314 59.2808 29.1532 178.4039 47 G 3.9821 7.9982 106.8185 47.8637 0.0000 175.1326 48 D 4.5945 7.8734 120.0175 57.1192 40.8388 178.8722 49 I 4.0353 7.4162 119.7242 64.0350 37.5217 177.6809 50 T 4.5309 8.1449 107.7678 61.2372 69.5360 175.8631 51 G 3.9742 8.6414 109.7787 45.5095 0.0000 173.8854 52 R 4.0773 7.7480 118.7328 55.5313 30.9372 175.4871 53 D 4.6244 8.4255 120.8228 52.7182 41.1111 175.0181 54 P 4.2796 0.0000 0.0000 65.8585 31.2818 178.9991 55 K 3.8419 7.9714 116.0916 59.2472 32.1012 179.1124 56 Q 3.8357 8.1397 116.5989 57.4285 29.0050 176.9736 57 V 4.0907 7.0048 110.1540 61.2575 33.2594 175.9563 58 I 3.9350 6.8446 120.9973 62.9885 37.1008 175.7443 59 G 4.0605 8.8827 114.2727 45.4928 0.0000 174.1561 60 K 4.2119 8.2818 119.4229 55.5291 33.1004 175.4134 61 N 4.9488 8.7414 120.0638 52.7104 39.6431 175.8342 62 F 3.9044 8.9680 128.8809 61.2379 39.6435 177.1783 63 F 3.8425 7.6624 117.5331 59.4114 39.0780 176.4490 64 K 4.0934 8.1993 120.6128 57.8140 32.6755 176.6715 65 D 4.6053 8.1582 116.7627 55.8253 42.1264 177.7113 66 V 3.7789 7.4737 115.9334 64.2647 32.7039 175.8864 67 A 4.2625 7.6072 121.6527 49.2660 18.4369 174.6655 68 P 4.1384 0.0000 0.0000 64.6607 31.9336 179.1614 69 C 4.2825 7.6207 112.6215 60.0257 29.9445 174.0177 70 T 4.2045 7.4933 110.4112 61.8583 69.0057 174.5168 71 D 5.1913 7.6041 123.1561 53.2402 39.1851 174.5258 72 S 4.7191 7.8015 116.5866 55.9985 65.6029 173.4270 73 P 4.2840 0.0000 0.0000 65.1707 31.2403 178.6573 74 E 4.0133 8.2524 116.5151 57.9618 29.4954 175.7224 75 F 4.4838 7.5697 118.2676 59.0533 42.2750 175.7972 76 Y 4.1886 9.0179 120.5768 60.7965 38.6617 178.9729 77 G 3.4412 8.3557 106.6977 47.7432 0.0000 175.8210 78 K 3.9542 7.5749 120.9429 59.0226 32.0021 179.2916 79 F 4.1780 8.2483 121.3208 61.1513 39.4911 177.4213 80 K 3.6640 8.1917 118.6375 59.6214 32.2601 178.8150 81 E 3.9303 7.8917 120.6240 58.9224 29.4566 178.9702 82 G 3.9588 7.6915 105.6444 46.7228 0.0000 175.9818 83 V 3.7331 7.2169 120.8766 65.1213 31.5015 177.7566 84 A 4.0640 7.5270 119.4726 54.8842 18.3144 179.2012 85 S 4.3700 8.1165 112.2531 58.7663 63.2993 175.8085 86 G 4.0505 8.5619 109.3458 45.1741 0.0000 172.8976 87 N 5.0564 7.6299 116.5204 50.7388 40.3385 173.1361 88 L 4.6485 8.3519 122.7514 54.3044 45.6895 173.9260 89 N 5.6469 8.6969 124.8660 53.1244 40.1850 172.4190 90 T 4.8650 9.2914 118.2634 60.0089 71.7019 171.5598 91 M 5.5033 8.7394 126.6363 53.9005 35.0710 174.1733 92 F 5.0549 8.7998 119.4367 56.1571 41.9436 172.7572 93 E 5.0305 8.8901 118.8277 55.9781 31.0091 174.9886 94 Y 4.9328 8.8171 122.0113 57.0783 43.1528 173.1505 95 T 5.0163 7.9135 119.7352 61.8449 71.0724 173.6567 96 F 5.2678 9.1722 125.9853 56.0065 40.5129 176.1073 97 D 4.8647 8.7614 121.1964 52.9838 40.3814 174.0991 98 Y 4.4380 8.1324 121.8416 57.7838 39.1286 175.2103 99 Q 3.7781 8.6140 124.8600 56.4000 26.4276 172.8507 100 M 4.8007 7.3070 113.0537 53.7255 34.3025 174.6505 101 T 3.8802 8.3732 116.7313 63.0296 68.9569 172.4358 102 P 4.5344 0.0000 0.0000 63.8802 32.1380 175.7049 103 T 4.5809 9.1171 121.4229 61.3819 72.0810 173.2690 104 K 4.5653 8.6295 128.5562 56.3438 33.7074 176.0137 105 V 4.6439 8.7727 119.5915 59.6452 37.0879 173.7491 106 K 4.8375 8.6923 123.2110 54.8389 34.1214 174.8652 107 V 4.8996 8.8334 127.6396 61.2793 34.3587 173.5989 108 H 5.2625 9.6161 127.6052 54.8676 32.4074 171.9196 109 M 5.1657 9.1441 126.7096 53.5922 34.2641 175.2875 110 K 5.8380 8.9083 123.7843 54.2146 36.4273 175.0683 111 K 4.3400 8.9798 127.6661 57.0464 32.8034 176.4352 112 A 4.5557 8.2163 129.3370 51.4407 19.7100 177.2937 113 L 3.9833 8.7239 119.2404 58.2839 42.4537 177.7731 114 S 4.4249 7.9607 110.5974 58.0351 63.5562 174.1688 115 G 4.1525 7.8471 103.9990 46.5640 0.0000 176.1258 116 D 4.7252 8.7486 123.1123 52.6279 38.9669 173.4730 117 S 4.8853 7.1342 115.3310 56.5679 67.6040 174.1820 118 Y 4.8996 8.6473 118.2816 56.1881 42.2957 174.2546 119 W 4.9416 9.2211 123.7829 55.3458 31.5028 175.4741 120 V 4.5615 8.9971 124.4955 61.2703 33.3873 174.0225 121 F 5.7886 9.0781 127.6291 55.9049 41.6884 175.1730 122 V 5.6656 9.5511 122.3342 60.1218 34.8740 174.2683 123 K 4.9368 8.2260 125.0220 55.0049 36.4327 175.5174 124 R 4.3673 8.3826 119.6402 56.0258 31.1707 177.3282 125 V 3.9309 7.6769 113.1949 61.6677 32.4614 175.6605 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 4.52 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.59 0.00 2 E 9.51 4.08 0.00 1.91 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 2.28 2.60 0.00 3 H 9.10 4.58 0.00 2.98 3.29 0.00 5.84 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.88 4.32 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 0.80 0.00 0.00 0.88 0.00 0.00 5 A 8.45 4.58 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 6 F 8.81 3.03 0.00 2.53 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 7 G 7.75 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.34 4.10 0.00 3.77 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 9 E 8.85 4.09 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 10 D 7.75 5.10 0.00 2.69 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 11 I 7.64 3.57 1.72 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.01 0.89 0.00 0.00 12 E 8.12 4.14 0.00 2.36 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 2.34 2.43 0.00 13 N 8.09 4.54 0.00 3.03 2.91 0.00 0.00 6.89 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 14 T 7.81 3.88 4.30 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 1.16 0.00 0.00 15 L 7.91 4.19 0.00 1.68 1.51 0.74 0.24 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 16 A 7.61 4.25 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.67 4.12 0.00 1.92 1.97 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.80 1.42 7.81 18 M 7.20 5.30 0.00 2.07 2.07 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 2.75 2.45 0.00 19 D 8.18 5.19 0.00 2.72 2.60 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 20 D 8.37 5.11 0.00 2.85 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.12 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 0.00 0.00 0.00 22 Q 8.08 4.10 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 23 L 8.02 4.02 0.00 2.01 1.76 1.26 0.89 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 24 D 8.09 4.44 0.00 2.90 2.73 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 25 G 7.82 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 0.00 0.00 0.00 26 L 7.12 4.12 0.00 1.29 0.63 0.59 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.90 4.15 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 28 F 6.67 5.10 0.00 3.31 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 29 G 9.45 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.52 5.53 1.44 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 31 I 9.10 4.94 1.61 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.70 0.71 0.00 0.00 32 Q 8.85 4.43 0.00 1.38 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 1.72 1.16 0.00 33 L 8.65 5.33 0.00 1.59 1.44 0.24 0.38 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 34 D 8.18 5.42 0.00 2.96 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 35 G 8.68 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 0.00 0.00 0.00 0.00 36 D 8.59 4.81 0.00 2.87 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 37 G 8.59 4.15 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 0.00 38 N 8.63 4.86 0.00 3.10 2.74 0.00 0.00 6.97 7.15 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 39 I 8.43 4.31 2.01 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 1.20 0.79 1.02 0.00 0.00 40 L 9.28 4.32 0.00 1.48 1.65 0.83 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.69 4.75 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 42 Y 8.49 4.66 0.00 2.95 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 43 N 8.74 4.99 0.00 2.99 3.00 0.00 0.00 6.52 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 44 A 9.22 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 45 A 7.95 4.10 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 46 Q 8.33 4.01 0.00 2.07 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.26 2.17 0.00 47 G 8.00 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 48 D 7.87 4.59 0.00 2.90 2.79 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 0.00 0.00 0.00 0.00 49 I 7.42 4.04 2.15 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.70 1.05 0.00 0.00 50 T 8.14 4.53 4.40 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 1.49 0.00 0.00 51 G 8.64 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 52 R 7.75 4.08 0.00 2.06 1.66 0.00 3.37 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 53 D 8.43 4.62 0.00 2.69 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 54 P 0.00 4.28 0.00 2.28 2.49 0.00 3.69 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 55 K 7.97 3.84 0.00 1.86 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.42 7.81 56 Q 8.14 3.84 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 57 V 7.00 4.09 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 0.50 0.00 0.00 0.25 0.00 0.00 58 I 6.84 3.93 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.75 1.02 0.00 0.00 59 G 8.88 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.28 4.21 0.00 1.78 1.68 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.40 7.81 61 N 8.74 4.95 0.00 2.73 2.74 0.00 0.00 7.16 7.70 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 62 F 8.97 3.90 0.00 2.69 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 0.00 0.00 0.00 63 F 7.66 3.84 0.00 2.70 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 64 K 8.20 4.09 0.00 1.69 1.77 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.36 7.81 65 D 8.16 4.61 0.00 2.77 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 66 V 7.47 3.78 1.88 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 0.72 0.00 0.00 0.84 0.00 0.00 67 A 7.61 4.26 -0.14 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 0.00 0.00 68 P 0.00 4.14 0.00 1.84 1.92 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.55 0.00 69 C 7.62 4.28 0.00 3.20 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.49 4.20 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 0.23 0.00 0.00 71 D 7.60 5.19 0.00 2.74 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 72 S 7.80 4.72 0.00 4.03 3.91 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 73 P 0.00 4.28 0.00 2.22 2.06 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 74 E 8.25 4.01 0.00 2.30 2.20 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 2.44 2.41 0.00 75 F 7.57 4.48 0.00 2.76 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 9.02 4.19 0.00 3.05 2.98 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 77 G 8.36 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 0.00 0.00 0.00 78 K 7.57 3.95 0.00 1.89 1.79 0.00 1.37 0.00 0.00 0.96 0.00 0.00 2.67 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.31 1.46 7.81 79 F 8.25 4.18 0.00 3.34 3.31 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 80 K 8.19 3.66 0.00 1.75 1.70 0.00 0.96 0.00 0.00 1.20 0.00 0.00 2.71 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.17 1.37 7.81 81 E 7.89 3.93 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 82 G 7.69 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 0.00 0.00 0.00 83 V 7.22 3.73 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 1.09 0.00 0.00 -0.76 0.00 0.00 84 A 7.53 4.06 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 85 S 8.12 4.37 0.00 3.88 3.91 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 86 G 8.56 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 87 N 7.63 5.06 0.00 2.92 2.90 0.00 0.00 5.60 6.67 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 88 L 8.35 4.65 0.00 1.78 1.66 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.70 5.65 0.00 2.78 2.72 0.00 0.00 6.88 7.70 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 90 T 9.29 4.86 4.31 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 1.36 0.00 0.00 91 M 8.74 5.50 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 92 F 8.80 5.05 0.00 3.19 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.89 5.03 0.00 1.97 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 2.27 2.34 0.00 94 Y 8.82 4.93 0.00 3.35 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 95 T 7.91 5.02 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 1.25 0.00 0.00 96 F 9.17 5.27 0.00 2.97 2.97 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 97 D 8.76 4.86 0.00 2.76 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 8.13 4.44 0.00 2.94 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 99 Q 8.61 3.78 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 100 M 7.31 4.80 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.79 0.00 101 T 8.37 3.88 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 1.23 0.00 0.00 102 P 0.00 4.53 0.00 1.95 2.07 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 103 T 9.12 4.58 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 1.21 0.00 0.00 104 K 8.63 4.57 0.00 1.82 1.64 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.46 7.81 105 V 8.77 4.64 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 0.45 0.00 0.00 0.27 0.00 0.00 106 K 8.69 4.84 0.00 1.69 1.43 0.00 1.56 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.39 7.81 107 V 8.83 4.90 0.89 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 0.72 0.00 0.00 0.99 0.00 0.00 108 H 9.62 5.26 0.00 2.73 2.93 0.00 5.62 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.14 5.17 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 110 K 8.91 5.84 0.00 1.76 1.72 0.00 1.97 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.50 7.81 111 K 8.98 4.34 0.00 1.93 1.76 0.00 2.05 0.00 0.00 1.71 0.00 0.00 2.69 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.21 1.39 7.81 112 A 8.22 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.72 3.98 0.00 1.71 1.74 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.96 4.42 0.00 3.84 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 0.00 115 G 7.85 4.15 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 0.00 116 D 8.75 4.73 0.00 2.80 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 0.00 117 S 7.13 4.89 0.00 3.61 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 0.00 118 Y 8.65 4.90 0.00 3.16 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 W 9.22 4.94 0.00 3.01 1.74 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 0.00 120 V 9.00 4.56 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 1.15 0.00 0.00 0.76 0.00 0.00 121 F 9.08 5.79 0.00 2.82 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 0.00 122 V 9.55 5.67 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 1.18 0.00 0.00 1.23 0.00 0.00 123 K 8.23 4.94 0.00 1.53 1.35 0.00 1.11 0.00 0.00 0.63 0.00 0.00 2.28 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.91 7.81 124 R 8.38 4.37 0.00 1.66 1.84 0.00 3.13 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 125 V 7.68 3.93 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 0.55 0.00 0.00 0.83 0.00 0.00