NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4120 8.2893 120.3486 55.3561 32.9791 174.7401 2 N 4.6492 8.5707 124.1241 51.5068 38.8902 173.0280 3 I 4.6018 8.7899 121.0535 59.5914 41.9408 176.2689 4 I 4.3743 8.3317 123.8873 59.6122 38.5211 175.1592 5 K 4.4470 8.6083 124.8158 54.3970 34.0870 176.2377 6 A 4.5546 8.3860 126.4273 50.8225 21.1155 175.0241 7 N 5.0642 8.1708 116.6960 51.9449 41.4938 175.5665 8 V 3.9082 8.1905 114.3416 62.6187 32.2750 176.6900 9 A 4.2884 8.1886 123.7800 52.0210 18.6950 178.0814 10 A 4.6406 8.3112 123.0940 51.2517 21.5040 174.0166 11 P 4.7082 0.0000 0.0000 64.8395 32.1978 178.8809 12 D 4.6917 8.0742 115.4511 54.3478 40.5225 175.8037 13 A 4.6102 7.6314 124.6080 51.8577 20.1804 178.2150 14 R 4.8380 9.6462 120.5481 55.0910 32.7434 175.9397 15 V 4.9492 8.8926 124.2347 60.0078 34.9042 173.9402 16 A 4.8570 8.4842 128.3596 50.0863 21.5819 175.2341 17 I 4.7953 8.7528 123.4718 59.5900 39.4213 174.6867 18 T 4.8847 8.6043 117.8696 60.0095 70.7784 173.4258 19 I 5.0597 8.3328 126.6579 58.2012 40.4322 174.5440 20 A 5.0306 8.4395 128.0733 51.3726 19.0552 177.9305 21 R 4.4595 9.3524 119.6650 58.3938 30.2862 176.9689 22 F 4.6010 8.2526 121.3923 59.9070 39.7006 174.3159 23 N 4.6338 9.8585 123.8074 54.5680 35.6045 176.1327 24 Q 4.1608 8.3186 120.5009 59.4818 28.0821 177.8741 25 F 3.6441 8.4985 121.4489 61.1438 39.4070 176.3943 26 I 4.2318 8.2561 118.6096 63.6441 37.2015 177.7471 27 N 4.3756 8.2181 116.6699 56.2758 38.2824 176.9361 28 D 4.4983 8.9436 121.4214 57.6612 40.9913 178.8639 29 S 4.0887 7.9685 112.9584 61.0096 62.3609 175.4856 30 L 4.0497 7.8006 123.3025 58.5103 41.6697 178.3817 31 L 3.8694 8.5047 120.6049 57.7806 41.9892 178.7306 32 D 4.5064 8.4002 118.6963 57.2466 40.8808 179.7675 33 G 3.5865 8.0715 105.8541 47.7614 0.0000 175.3449 34 A 3.9300 7.8104 123.3524 54.6875 18.4605 179.3268 35 V 3.4534 7.9450 116.8590 66.3435 31.5700 177.2842 36 D 4.3064 8.1953 117.1591 57.7262 40.9523 177.8040 37 A 3.9281 8.2848 120.9652 55.8200 18.2935 179.0266 38 L 3.8636 8.4590 116.6196 59.2986 41.8253 179.8271 39 T 4.2452 8.3211 110.9619 64.0614 68.6022 176.2835 40 R 3.8603 8.2187 123.8326 58.3115 30.6663 178.0951 41 I 4.0547 8.0041 117.2661 63.6094 37.7435 177.1332 42 G 3.7452 7.9379 106.5620 45.2640 0.0000 173.9543 43 Q 3.8254 8.2908 119.9366 56.5196 27.8086 172.8018 44 V 3.8716 7.5670 116.9226 61.8677 32.2100 175.1858 45 K 4.3936 8.5770 128.8763 56.2288 32.5209 176.6823 46 D 4.6666 8.8180 124.1697 54.0683 39.0471 176.2170 47 D 4.7869 7.9723 117.3110 53.7863 40.2778 176.3271 48 N 4.7043 8.5093 117.8078 53.6483 39.3046 174.0703 49 I 4.9450 7.5857 120.2830 60.2190 38.4352 175.1788 50 T 4.7166 8.8834 117.4529 59.6988 71.9097 173.0185 51 V 4.5917 8.4079 123.6100 61.0552 34.1520 174.5419 52 V 4.3001 9.0167 129.1540 60.7835 33.7283 174.5451 53 W 4.8693 8.9722 129.1449 56.5761 29.4916 176.5324 54 V 4.3481 8.6625 119.2228 59.1748 33.4834 174.9032 55 P 4.3137 0.0000 0.0000 65.2106 31.3318 176.8936 56 G 4.5414 7.9721 108.3904 42.6907 0.0000 174.0655 57 A 4.0415 8.4911 120.6601 54.9012 18.0644 179.2541 58 Y 4.1934 8.1762 117.1391 60.7672 39.2165 177.5033 59 E 4.1232 8.1826 118.9936 57.8656 29.6341 178.4577 60 L 3.9092 7.6070 119.8877 58.0524 41.6081 177.2035 61 P 4.1822 0.0000 0.0000 64.8857 31.2419 177.9440 62 L 3.8851 7.7505 118.0106 58.4711 42.1962 179.0286 63 A 3.9871 7.7877 120.0030 55.7211 18.2751 179.8541 64 T 3.8277 8.1436 108.1029 64.4853 68.7103 176.2057 65 E 3.8425 8.9761 122.8582 59.1661 29.6085 178.2558 66 A 4.0116 7.9609 120.6292 55.6422 18.1844 179.6511 67 L 4.0764 7.6062 114.8556 57.8640 41.9314 179.4652 68 A 4.2290 8.3579 120.9873 55.1188 18.2131 179.8122 69 K 3.9396 8.2457 116.3270 59.6166 32.1443 178.9316 70 S 4.2025 8.1513 113.0416 59.5335 61.7548 175.8656 71 G 3.9483 8.4609 110.4850 46.2461 0.0000 176.0341 72 K 3.9139 7.6989 120.3407 56.2969 31.8628 182.1458 73 Y 5.1316 6.9364 114.0868 56.8518 40.5576 175.4767 74 D 4.7248 9.2831 122.1060 56.1668 41.8828 176.4695 75 A 4.5369 7.3875 117.2442 51.2152 22.5474 175.0878 76 V 4.7344 8.2837 119.9812 61.0274 34.5642 174.5274 77 V 4.3390 8.8171 128.3255 61.6220 33.3041 174.1631 78 A 4.9513 8.6334 130.1296 49.6226 21.0509 175.2131 79 L 5.3222 7.9404 123.1675 52.4798 44.6231 176.3710 80 G 4.2951 7.6973 108.6373 46.0218 0.0000 171.8070 81 T 5.0801 8.5143 115.8467 61.5282 72.1446 174.4007 82 V 4.2229 9.0732 124.9719 61.3994 34.2591 173.8588 83 I 4.7921 8.2060 128.8203 59.4598 38.7253 175.9894 84 R 3.6310 8.4930 127.9925 56.6591 30.2395 176.3120 85 G 4.4161 8.3577 116.3748 44.2912 0.0000 172.9613 86 G 3.6334 8.7869 107.6872 47.5320 0.0000 173.3687 87 T 4.5084 7.6017 108.4531 59.7674 71.4302 173.5495 88 A 4.4848 8.3600 121.3051 52.7293 18.8846 178.6751 89 H 4.2846 8.3368 120.1630 60.2416 29.8816 176.9048 90 F 4.0302 8.4799 122.0378 61.5630 38.9885 176.6260 91 E 3.6034 7.9758 118.4161 59.5373 29.3844 178.3633 92 Y 4.3359 7.3753 115.8283 60.6675 38.2519 177.5890 93 V 3.6908 7.6601 119.2368 65.8567 31.6257 177.8340 94 A 4.0852 7.8302 120.2030 55.1269 18.0600 179.6968 95 G 3.6064 8.0923 104.7155 47.8038 0.0000 176.1056 96 G 3.8416 8.5794 108.3071 45.8835 0.0000 174.8139 97 A 4.2609 7.8471 122.6275 54.3374 19.6744 179.1282 98 S 4.1501 8.2340 111.7821 61.8545 62.3711 176.2594 99 N 4.4307 8.5670 119.4983 55.9851 38.3321 177.3440 100 G 3.7386 7.7209 106.5031 48.1391 0.0000 175.4409 101 L 3.9984 8.0607 121.6092 57.2344 41.8629 179.6751 102 A 3.9871 7.9800 120.5638 55.0147 18.2724 179.5986 103 S 3.9589 8.2918 111.7866 61.5353 62.4738 176.1780 104 V 3.5541 7.7416 120.7266 66.2467 31.1468 177.7389 105 A 4.3210 7.8429 121.2675 54.8155 18.0149 179.4248 106 Q 3.9169 7.6865 116.4592 59.2064 29.1404 177.8843 107 D 4.5147 8.0461 119.4516 57.1462 41.2185 178.5588 108 S 4.3366 8.2810 112.9848 58.8217 63.4057 175.5372 109 G 3.8799 8.0336 109.3295 45.6691 0.0000 173.6259 110 V 3.9878 7.6368 121.0738 61.5341 33.0007 173.6202 111 P 4.5024 0.0000 0.0000 62.6554 32.5199 175.1644 112 V 4.8323 8.3857 123.4793 61.0251 33.9959 174.2478 113 A 4.4299 8.8227 130.3166 51.0056 20.3452 176.3021 114 F 4.6857 9.0086 126.7463 56.2131 38.3657 175.8685 115 G 3.9669 8.0986 118.0134 44.9291 0.0000 170.9171 116 V 4.5788 6.1143 117.5478 60.5789 33.9102 176.0480 117 L 4.2709 8.7273 129.3817 55.1007 42.7772 176.6591 118 T 5.4844 8.7077 112.5857 58.8414 68.8012 172.5686 119 T 4.5958 8.1436 120.9026 61.0501 72.0843 175.1037 120 E 4.1081 9.7754 120.6040 57.2967 30.5248 177.2545 121 S 4.7026 7.5780 112.0015 55.5523 67.6056 174.8162 122 I 3.6692 8.2432 123.2923 64.3311 36.6319 177.8982 123 E 3.9096 8.2207 118.8706 59.8498 29.5262 178.7301 124 Q 4.2805 8.0840 117.2933 58.8097 28.8659 178.5748 125 A 4.0092 7.8310 121.5830 55.4021 18.3344 179.7087 126 I 3.7541 7.8936 118.1911 64.6785 37.1241 178.5415 127 E 4.5341 8.0190 120.3867 58.1706 29.2881 178.4762 128 R 4.5311 7.9014 115.4494 55.7107 30.5307 176.7542 129 A 4.8189 7.2531 122.0367 52.6347 19.5659 177.1055 130 G 4.4608 8.0801 107.6557 48.2101 0.0000 175.3241 131 T 4.6075 7.5021 115.3500 60.0751 68.9015 175.8004 132 K 3.7923 9.2258 117.0786 59.3721 31.7763 177.7393 133 A 4.5453 7.7877 119.2173 52.0936 19.9441 179.0194 134 G 3.7310 8.1159 110.3277 47.3731 0.0000 173.8890 135 N 5.2865 8.2583 118.4077 51.0157 41.1634 175.6181 136 K 4.0324 8.9260 129.1882 59.2489 32.0341 178.9970 137 G 4.1112 8.2460 107.5681 47.4083 0.0000 175.5323 138 A 4.0341 7.8588 123.1251 54.2755 18.5069 179.2416 139 E 3.8651 8.5840 118.1746 59.3583 29.7425 178.9100 140 A 4.0608 8.7087 122.4479 54.3958 18.4582 179.3771 141 A 3.9049 8.2069 119.5189 55.3214 18.3905 179.8907 142 L 3.9205 7.9986 117.6023 58.2373 41.2920 179.9379 143 T 3.8473 8.0999 109.3447 64.6458 68.4234 176.0063 144 A 3.9896 7.9715 123.8395 55.0221 18.4784 179.0871 145 L 3.8809 7.8788 116.5669 58.2029 41.8615 179.3568 146 E 4.1877 8.3908 120.3190 59.0334 29.4405 178.9215 147 M 4.0367 8.0458 118.3303 58.4154 31.9627 178.3796 148 I 3.6833 7.7766 120.0272 64.9300 37.3033 178.1352 149 N 4.3257 8.0200 116.2855 56.1816 38.1393 177.6034 150 V 3.5795 7.9896 119.1645 66.2032 31.7722 177.8208 151 L 4.0725 8.4821 119.0328 57.6440 41.3389 179.2777 152 K 3.9015 8.1642 119.0913 59.5188 32.2116 177.0856 153 A 4.4694 8.0345 120.0967 51.7714 19.3498 177.2553 154 I 3.8856 7.9148 121.1038 63.1882 37.7315 173.9720 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 8.29 4.41 0.00 1.99 2.07 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 2.48 2.54 0.00 2 N 8.57 4.65 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.79 4.60 1.87 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 1.41 0.82 0.91 0.00 0.00 4 I 8.33 4.37 1.87 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 1.41 0.60 0.91 0.00 0.00 5 K 8.61 4.45 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.55 1.24 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 0.00 0.00 7 N 8.17 5.06 0.00 2.73 2.64 0.00 0.00 6.87 7.71 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 8 V 8.19 3.91 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.19 4.29 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 10 A 8.31 4.64 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.71 0.00 2.23 2.38 0.00 3.86 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 2.07 1.94 0.00 12 D 8.07 4.69 0.00 2.69 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 13 A 7.63 4.61 1.33 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 14 R 9.65 4.84 0.00 1.43 1.78 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.89 4.95 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 0.96 0.00 0.00 0.95 0.00 0.00 16 A 8.48 4.86 0.34 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 17 I 8.75 4.80 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.89 0.74 0.00 0.00 18 T 8.60 4.88 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 1.09 0.00 0.00 19 I 8.33 5.06 0.72 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.18 0.40 0.00 0.00 20 A 8.44 5.03 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 21 R 9.35 4.46 0.00 2.08 2.52 0.00 2.87 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 22 F 8.25 4.60 0.00 3.14 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 23 N 9.86 4.63 0.00 2.96 2.98 0.00 0.00 6.88 8.09 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 24 Q 8.32 4.16 0.00 2.53 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.50 3.64 0.00 3.13 3.19 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 26 I 8.26 4.23 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.87 0.95 0.00 0.00 27 N 8.22 4.38 0.00 2.88 2.92 0.00 0.00 7.10 8.08 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 28 D 8.94 4.50 0.00 2.64 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 29 S 7.97 4.09 0.00 3.82 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 30 L 7.80 4.05 0.00 1.93 1.62 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.50 3.87 0.00 1.77 1.79 0.77 1.04 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 32 D 8.40 4.51 0.00 2.88 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 33 G 8.07 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 0.00 0.00 0.00 34 A 7.81 3.93 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 V 7.95 3.45 2.07 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 0.98 0.00 0.00 0.91 0.00 0.00 36 D 8.20 4.31 0.00 2.84 2.89 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 37 A 8.28 3.93 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 38 L 8.46 3.86 0.00 1.86 1.73 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.32 4.25 4.24 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 1.26 0.00 0.00 40 R 8.22 3.86 0.00 1.80 2.23 0.00 3.24 0.00 0.00 3.45 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 41 I 8.00 4.05 2.10 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 1.23 0.96 0.91 0.00 0.00 42 G 7.94 3.75 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 0.00 0.00 0.00 43 Q 8.29 3.83 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 V 7.57 3.87 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 0.88 0.00 0.00 1.03 0.00 0.00 45 K 8.58 4.39 0.00 1.80 1.68 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.82 4.67 0.00 2.83 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 47 D 7.97 4.79 0.00 2.78 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 48 N 8.51 4.70 0.00 2.87 2.99 0.00 0.00 6.90 7.27 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 49 I 7.59 4.94 1.88 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 1.40 0.53 0.89 0.00 0.00 50 T 8.88 4.72 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 1.51 0.00 0.00 51 V 8.41 4.59 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 0.48 0.00 0.00 0.83 0.00 0.00 52 V 9.02 4.30 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 0.93 0.00 0.00 0.86 0.00 0.00 53 W 8.97 4.87 0.00 3.21 3.21 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 0.00 0.00 0.00 0.00 54 V 8.66 4.35 2.14 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 0.76 0.00 0.00 1.07 0.00 0.00 55 P 0.00 4.31 0.00 2.19 2.32 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 56 G 7.97 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.49 4.04 1.33 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 58 Y 8.18 4.19 0.00 2.92 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 59 E 8.18 4.12 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 60 L 7.61 3.91 0.00 1.76 1.70 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.18 0.00 2.03 1.87 0.00 3.66 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 2.07 2.09 0.00 62 L 7.75 3.89 0.00 1.63 1.67 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.79 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.14 3.83 4.19 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 1.22 0.00 0.00 65 E 8.98 3.84 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 66 A 7.96 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 4.08 0.00 1.76 1.67 0.63 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.36 4.23 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 69 K 8.25 3.94 0.00 1.86 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.60 7.81 70 S 8.15 4.20 0.00 3.91 4.22 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 71 G 8.46 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.70 3.91 0.00 1.83 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.94 5.13 0.00 3.13 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 74 D 9.28 4.72 0.00 2.56 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 75 A 7.39 4.54 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 76 V 8.28 4.73 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 0.92 0.00 0.00 0.85 0.00 0.00 77 V 8.82 4.34 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 0.88 0.00 0.00 0.88 0.00 0.00 78 A 8.63 4.95 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 79 L 7.94 5.32 0.00 1.49 1.39 0.80 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.70 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 0.00 0.00 0.00 0.00 81 T 8.51 5.08 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 1.19 0.00 0.00 82 V 9.07 4.22 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 0.91 0.00 0.00 0.87 0.00 0.00 83 I 8.21 4.79 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.70 0.84 0.00 0.00 84 R 8.49 3.63 0.00 0.67 1.40 0.00 3.06 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.18 0.00 85 G 8.36 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.79 3.63 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 0.00 0.00 0.00 87 T 7.60 4.51 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 1.25 0.00 0.00 88 A 8.36 4.48 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 89 H 8.34 4.28 0.00 3.28 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.48 4.03 0.00 3.11 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 91 E 7.98 3.60 0.00 1.93 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 2.00 2.18 0.00 92 Y 7.38 4.34 0.00 2.99 2.89 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 93 V 7.66 3.69 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 1.05 0.00 0.00 0.74 0.00 0.00 94 A 7.83 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.09 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.58 3.84 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 0.00 97 A 7.85 4.26 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.23 4.15 0.00 3.71 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 99 N 8.57 4.43 0.00 2.79 2.83 0.00 0.00 6.95 7.91 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 0.00 100 G 7.72 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 0.00 101 L 8.06 4.00 0.00 1.89 1.82 1.02 0.99 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 0.00 102 A 7.98 3.99 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 0.00 103 S 8.29 3.96 0.00 3.97 4.02 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 0.00 104 V 7.74 3.55 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 1.02 0.00 0.00 0.95 0.00 0.00 105 A 7.84 4.32 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.69 3.92 0.00 2.09 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.05 4.51 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.28 4.34 0.00 4.03 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 0.00 109 G 8.03 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.64 3.99 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 1.01 0.00 0.00 1.01 0.00 0.00 111 P 0.00 4.50 0.00 2.12 1.96 0.00 3.78 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 2.12 2.09 0.00 112 V 8.39 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 0.81 0.00 0.00 0.97 0.00 0.00 113 A 8.82 4.43 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 9.01 4.69 0.00 3.02 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 0.00 115 G 8.10 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 0.00 116 V 6.11 4.58 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 -0.03 0.00 0.00 117 L 8.73 4.27 0.00 1.62 1.58 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.71 5.48 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 119 T 8.14 4.60 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 120 E 9.78 4.11 0.00 1.96 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 2.30 2.30 0.00 121 S 7.58 4.70 0.00 3.95 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 0.00 122 I 8.24 3.67 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 0.86 0.00 0.00 123 E 8.22 3.91 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 124 Q 8.08 4.28 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.83 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.89 3.75 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.00 0.99 0.00 0.00 127 E 8.02 4.53 0.00 2.23 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 2.34 2.40 0.00 128 R 7.90 4.53 0.00 1.89 1.94 0.00 3.11 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.25 4.82 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 0.00 130 G 8.08 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.50 4.61 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 1.23 0.00 0.00 132 K 9.23 3.79 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.79 4.55 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 0.00 134 G 8.12 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 0.00 0.00 0.00 135 N 8.26 5.29 0.00 2.70 2.66 0.00 0.00 6.94 6.75 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 0.00 136 K 8.93 4.03 0.00 1.82 1.82 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.25 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 0.00 0.00 0.00 0.00 138 A 7.86 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.58 3.87 0.00 2.02 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 0.00 2.31 2.33 0.00 140 A 8.71 4.06 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 0.00 141 A 8.21 3.90 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.00 3.92 0.00 1.99 1.72 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.10 3.85 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 1.24 0.00 0.00 144 A 7.97 3.99 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 0.00 145 L 7.88 3.88 0.00 1.87 1.90 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.39 4.19 0.00 2.01 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 2.32 2.24 0.00 147 M 8.05 4.04 0.00 2.09 2.36 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.89 0.00 148 I 7.78 3.68 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.82 0.92 0.00 0.00 149 N 8.02 4.33 0.00 2.96 2.86 0.00 0.00 6.74 7.97 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 0.00 150 V 7.99 3.58 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 0.83 0.00 0.00 0.98 0.00 0.00 151 L 8.48 4.07 0.00 1.93 1.68 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.16 3.90 0.00 1.84 2.08 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.51 7.81 153 A 8.03 4.47 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.91 3.89 1.87 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 1.16 0.73 0.91 0.00 0.00