NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4946 8.1693 120.6406 55.0767 43.1240 175.7789 8 H 4.8252 8.4391 115.5523 53.3148 31.5456 171.4150 9 K 4.4853 9.2282 122.5540 56.1937 33.9209 177.2949 10 E 4.9439 9.0346 123.1992 53.6896 33.5424 173.7520 11 P 5.0045 0.0000 0.0000 63.2525 32.4931 174.8749 12 A 4.9015 8.4374 121.9792 51.5462 23.0514 175.5476 13 T 4.6369 8.5532 115.0360 61.3132 72.2835 173.9340 14 L 4.1907 8.7287 128.2777 55.9858 42.3277 175.5810 15 I 4.3539 8.6554 126.7623 62.2423 38.6991 175.9251 16 K 4.5488 7.5951 120.5961 55.3017 35.6334 173.8406 17 A 4.5872 8.6867 130.6289 51.8942 19.5437 176.8108 18 I 4.1994 8.5749 124.5665 62.9540 38.0332 175.2019 19 D 4.5803 7.4281 117.0513 52.7416 41.1853 175.3100 20 G 3.7420 8.9372 107.1750 48.5902 0.0000 173.7982 21 D 5.0308 8.8069 117.0712 52.9638 41.1830 175.6574 22 T 5.1784 7.9577 115.3643 62.3334 72.2073 173.3844 23 V 4.8229 8.8581 118.7382 59.5179 36.7269 174.2707 24 K 5.0471 9.2279 126.1615 55.3846 33.4556 175.3908 25 L 5.3016 9.3727 127.1848 53.0895 46.2187 175.1173 26 M 4.9189 8.9616 121.1941 54.7453 33.7240 174.3160 27 Y 4.8977 9.1747 127.7977 56.1654 42.2678 175.3151 28 K 3.6007 9.1895 127.4452 57.4705 29.5866 176.0750 29 G 3.9676 8.0393 103.4032 45.8449 0.0000 172.9766 30 Q 4.7564 7.6455 118.7678 53.2999 31.2801 172.9766 31 P 5.0707 0.0000 0.0000 62.8594 32.4319 175.4865 32 M 4.8716 9.6579 122.8784 54.5509 36.4046 173.4463 33 T 4.9224 8.5075 121.4539 62.8098 70.6197 173.5685 34 F 5.0286 9.8865 125.6451 55.6136 42.4264 174.2076 35 R 5.0298 8.7983 123.3300 54.3686 32.0235 175.1976 36 L 4.3538 8.8296 127.8097 54.4782 42.0501 177.4067 37 L 3.9120 8.8892 124.8963 56.0216 42.2696 178.0957 38 L 3.8738 8.8055 119.9143 55.2612 39.6196 174.1604 39 V 5.0132 7.4542 110.9103 59.5399 35.6287 174.9852 40 D 4.9837 8.9949 122.8886 52.9609 43.4377 175.5637 41 T 4.7280 8.4390 113.8096 59.2876 70.6404 173.2622 42 P 4.5265 0.0000 0.0000 62.7184 32.3530 175.6739 43 E 4.5560 10.3477 121.2126 55.4867 30.9047 177.1092 44 T 4.5083 8.2389 109.6397 61.3755 69.5158 174.9883 45 K 4.0403 7.4069 122.0811 57.0515 32.8475 175.9362 46 H 3.7424 8.1670 115.6168 56.2178 30.9401 174.1413 47 P 4.0883 0.0000 0.0000 65.3756 31.2799 176.9802 48 K 4.2821 9.0863 120.3455 57.8230 30.8860 174.6923 49 K 4.5232 9.0251 129.7634 52.1478 30.8957 179.0084 50 G 3.8942 8.2183 111.0073 44.8112 0.0000 175.9185 51 V 4.2674 8.0455 129.1544 61.0714 32.0219 174.6656 52 E 4.3244 9.2831 128.8003 55.2694 31.2791 176.3307 53 K 4.0065 8.2815 122.5899 58.2013 32.4278 176.6589 54 Y 3.9885 8.1486 123.3255 59.1807 36.0664 170.9361 55 G 3.8014 7.9108 107.3938 47.6992 0.0000 174.0344 56 P 4.3270 0.0000 0.0000 64.8543 30.9370 178.6087 57 E 4.0256 8.2352 116.8096 59.4440 29.4659 179.1416 58 A 4.0588 8.5156 121.2117 55.2973 18.4364 179.9398 59 S 4.2083 8.2965 113.5614 61.6407 62.8156 176.7856 60 A 4.0487 8.3380 123.6879 54.7381 18.0365 179.4425 61 F 3.9298 8.3880 119.3443 61.8072 39.5258 177.4198 62 T 3.9209 8.1311 115.2864 66.5068 68.2859 176.3157 63 K 3.8551 8.1630 121.3423 59.5580 32.2423 178.7657 64 K 3.8391 8.2643 118.8861 59.7659 31.7947 178.8827 65 M 3.8232 7.6490 116.9578 58.6574 32.3343 177.8289 66 L 4.1911 7.9254 118.7910 57.4415 41.7821 179.1061 67 E 4.0847 8.5739 118.0440 58.4891 29.3981 177.9865 68 N 4.7185 7.7182 114.0953 52.0076 39.3086 174.7977 69 A 4.5957 7.0602 123.6115 51.3887 19.7696 178.5286 70 K 4.1841 9.2243 121.7964 58.7075 32.5340 178.1439 71 K 4.7095 8.7284 117.4577 55.1202 36.1971 175.1836 72 I 5.0133 8.3907 123.4150 59.6979 39.9275 174.3050 73 E 5.2115 9.0965 124.9838 54.6647 33.6479 175.0607 74 V 4.6031 9.1012 116.7634 59.5261 34.7494 174.6562 75 E 4.8026 9.1974 125.2964 54.2834 31.8973 175.0962 76 F 4.6452 8.8450 125.9117 57.7795 39.9565 175.7986 77 D 5.0073 8.5120 121.3318 53.6692 43.1292 175.7977 78 K 4.3868 9.1313 116.9839 57.1669 33.0629 177.3691 79 G 4.1868 8.3522 110.4716 44.1924 0.0000 173.5970 80 Q 4.1082 8.5749 118.5868 56.8010 29.2234 176.3642 81 R 4.7579 8.4214 117.1657 56.5169 31.8335 175.7040 82 T 5.2026 7.6367 108.5668 59.9857 72.2747 173.6082 83 D 4.9164 8.7233 124.1111 51.8901 42.1734 176.8671 84 K 3.9797 8.6583 116.4984 59.1953 32.5162 176.8867 85 Y 4.2616 8.3739 116.8169 57.7938 38.0787 176.4120 86 G 3.9229 8.3191 108.5321 45.1943 0.0000 173.6255 87 R 4.4284 7.9551 119.0683 54.7310 31.8354 176.3623 88 G 3.4498 8.4001 111.0430 46.2458 0.0000 172.4230 89 L 5.2893 8.8341 123.3346 53.1180 43.5717 175.5708 90 A 4.3899 8.4010 124.9357 51.2138 23.8263 173.8308 91 Y 4.9642 8.6793 117.1673 56.9986 39.6996 175.3365 92 L 5.0078 8.8964 124.6637 53.3255 44.3918 175.1076 93 Y 5.0806 9.0961 120.5409 56.0459 41.4184 174.3868 94 A 4.9488 9.3472 126.1135 50.2602 21.3803 176.2675 95 D 4.3750 9.9319 124.9312 55.8918 39.1088 175.4162 96 G 3.9779 8.5030 104.4439 45.4407 0.0000 173.6399 97 K 4.5059 8.0704 120.5547 54.4245 33.9231 175.2906 98 M 3.8133 8.4628 123.1793 55.2325 32.8891 176.8119 99 V 3.6530 8.7076 127.9191 66.2318 31.5668 177.6736 100 N 4.3661 7.9513 115.7631 56.2179 38.3674 176.8774 101 E 3.9260 8.0611 120.0265 59.1017 30.0055 178.1915 102 A 4.0374 8.0062 120.9100 55.4676 18.4235 179.6366 103 L 3.5063 7.9799 117.1759 57.7858 41.6607 180.0202 104 V 3.7645 7.5230 118.3033 66.0157 31.2957 178.0552 105 R 3.9501 8.6734 118.5101 59.0368 29.9134 177.4628 106 Q 4.3624 7.6564 115.1077 55.0043 29.0305 176.2291 107 G 3.9079 7.9605 108.6065 46.4109 0.0000 174.9857 108 L 4.3598 7.5363 116.7428 54.0117 41.9660 176.0828 109 A 4.6854 7.2472 118.4833 50.9027 22.0486 176.1859 110 K 4.7872 8.4756 119.7913 54.8962 34.7161 176.3041 111 V 4.2663 8.9978 124.1429 62.5308 31.7768 175.9503 112 A 4.2919 8.9397 130.5603 51.8261 19.4246 176.3702 113 Y 3.7569 8.5309 120.2969 57.7478 38.9646 175.9988 114 V 3.8854 7.3783 126.9555 62.1811 32.8651 175.2945 115 Y 4.6117 7.9917 121.2933 55.7292 39.7200 174.5387 116 K 4.1001 8.5384 123.5154 56.3985 32.6986 174.8494 117 P 4.8069 0.0000 0.0000 63.0877 32.0520 176.7959 118 N 4.8283 8.1125 117.9870 52.6027 37.0257 175.2132 119 N 5.1423 7.7073 112.0712 53.1329 39.2078 177.3378 120 T 3.8536 8.5887 118.2387 67.5227 68.7255 174.8598 121 H 4.8805 8.0436 116.2976 55.7723 29.1812 176.7776 122 E 4.0006 8.2848 123.8155 59.4445 29.2610 178.8560 123 Q 3.9103 7.9902 117.5766 59.1573 29.0677 177.5656 124 H 3.9816 8.3134 118.7586 59.6642 29.6962 176.9960 125 L 4.0508 8.0115 120.3801 57.8119 41.4326 179.7865 126 R 3.9044 7.9657 118.1872 59.0025 29.9393 179.1952 127 K 3.9174 8.3987 118.8097 59.6807 31.9916 179.6348 128 S 4.1160 7.9238 115.0326 61.2597 62.6775 176.3758 129 E 3.8929 8.4668 122.3322 59.1130 29.3971 178.6670 130 A 3.7325 7.8991 120.8109 55.0373 18.4076 179.3966 131 Q 3.7739 7.9600 117.7687 59.3266 29.1985 178.2169 132 A 3.9972 8.1976 122.1105 55.1481 18.3145 179.8438 133 K 3.3659 7.5544 116.8417 59.2344 31.8000 179.3547 134 K 3.8265 7.6541 118.6531 59.2720 32.1351 177.6534 135 E 4.2872 7.9997 115.5743 55.0499 30.3441 176.1245 136 K 4.2935 7.5573 117.4057 56.0182 30.6176 175.1744 137 L 4.3571 8.1220 117.9563 55.2500 44.4773 178.4315 138 N 3.7068 9.3917 118.9578 54.3568 38.0211 176.1931 139 I 3.1875 5.4200 126.8059 64.1308 38.0725 176.9067 140 W 4.9253 8.3060 119.6916 56.5238 29.0644 176.4024 141 S 4.4223 7.8318 119.3922 58.4261 61.7746 173.6966 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 7 L 8.17 4.49 0.00 1.73 1.79 1.07 0.81 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 8 H 8.44 4.83 0.00 3.28 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.23 4.49 0.00 1.54 1.64 0.00 1.41 0.00 0.00 1.09 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.24 7.81 10 E 9.03 4.94 0.00 2.11 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 2.33 2.09 0.00 11 P 0.00 5.00 0.00 2.09 2.06 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 12 A 8.44 4.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.55 4.64 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 14 L 8.73 4.19 0.00 1.63 1.58 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.66 4.35 1.97 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 1.15 0.76 0.94 0.00 0.00 16 K 7.60 4.55 0.00 1.81 1.62 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.45 7.81 17 A 8.69 4.59 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 18 I 8.57 4.20 2.02 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 1.38 0.92 0.91 0.00 0.00 19 D 7.43 4.58 0.00 2.82 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.94 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 21 D 8.81 5.03 0.00 2.75 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 22 T 7.96 5.18 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 1.26 0.00 0.00 23 V 8.86 4.82 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 0.82 0.00 0.00 0.96 0.00 0.00 24 K 9.23 5.05 0.00 1.88 1.84 0.00 1.50 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.52 7.81 25 L 9.37 5.30 0.00 1.69 1.54 0.27 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.96 4.92 0.00 2.17 1.99 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 2.55 0.00 27 Y 9.17 4.90 0.00 3.21 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 28 K 9.19 3.60 0.00 1.41 1.63 0.00 0.61 0.00 0.00 1.13 0.00 0.00 2.73 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.05 1.23 7.81 29 G 8.04 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 30 Q 7.65 4.76 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 31 P 0.00 5.07 0.00 1.98 2.03 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 32 M 9.66 4.87 0.00 2.25 1.96 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.01 0.00 33 T 8.51 4.92 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 34 F 9.89 5.03 0.00 2.95 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 35 R 8.80 5.03 0.00 1.92 1.79 0.00 3.34 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 36 L 8.83 4.35 0.00 1.56 1.62 0.98 0.91 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 37 L 8.89 3.91 0.00 1.15 1.25 0.36 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.81 3.87 0.00 2.03 1.89 1.08 1.02 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 39 V 7.45 5.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.96 0.00 0.00 40 D 8.99 4.98 0.00 2.66 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.44 4.73 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 42 P 0.00 4.53 0.00 2.30 2.01 0.00 3.57 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 2.22 2.07 0.00 43 E 10.35 4.56 0.00 2.26 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 2.27 2.27 0.00 44 T 8.24 4.51 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 1.22 0.00 0.00 45 K 7.41 4.04 0.00 1.76 1.70 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.34 7.81 46 H 8.17 3.74 0.00 3.16 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.09 0.00 2.08 2.08 0.00 3.14 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.04 0.00 48 K 9.09 4.28 0.00 1.71 1.79 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.61 7.81 49 K 9.03 4.52 0.00 2.02 1.87 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.18 1.06 7.81 50 G 8.22 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.05 4.27 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 0.81 0.00 0.00 0.92 0.00 0.00 52 E 9.28 4.32 0.00 1.90 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 2.31 2.52 0.00 53 K 8.28 4.01 0.00 1.71 1.72 0.00 1.53 0.00 0.00 0.94 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.21 1.29 7.81 54 Y 8.15 3.99 0.00 3.21 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 55 G 7.91 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 56 P 0.00 4.33 0.00 2.16 2.11 0.00 3.58 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 2.08 2.16 0.00 57 E 8.24 4.03 0.00 2.40 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 58 A 8.52 4.06 1.42 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 59 S 8.30 4.21 0.00 3.92 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 60 A 8.34 4.05 1.40 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 0.00 0.00 0.00 61 F 8.39 3.93 0.00 3.30 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.13 3.92 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 1.28 0.00 0.00 63 K 8.16 3.86 0.00 1.84 2.12 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.62 7.81 64 K 8.26 3.84 0.00 1.82 1.72 0.00 1.60 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81 65 M 7.65 3.82 0.00 1.85 1.72 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 66 L 7.93 4.19 0.00 1.72 1.66 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.57 4.08 0.00 2.09 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 2.33 2.34 0.00 68 N 7.72 4.72 0.00 2.76 2.79 0.00 0.00 6.95 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.06 4.60 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 70 K 9.22 4.18 0.00 1.96 1.87 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.37 7.81 71 K 8.73 4.71 0.00 1.75 1.84 0.00 1.26 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.52 7.81 72 I 8.39 5.01 2.01 0.00 0.00 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 1.33 0.61 0.91 0.00 0.00 73 E 9.10 5.21 0.00 1.89 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 74 V 9.10 4.60 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 -0.04 0.00 0.00 0.73 0.00 0.00 75 E 9.20 4.80 0.00 2.22 2.32 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 2.47 2.38 0.00 76 F 8.84 4.65 0.00 3.06 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 77 D 8.51 5.01 0.00 2.67 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 78 K 9.13 4.39 0.00 1.79 1.88 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.23 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.44 7.81 79 G 8.35 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 0.00 0.00 0.00 0.00 80 Q 8.57 4.11 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 81 R 8.42 4.76 0.00 1.53 1.50 0.00 2.52 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 82 T 7.64 5.20 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 1.14 0.00 0.00 83 D 8.72 4.92 0.00 2.83 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 84 K 8.66 3.98 0.00 1.61 1.78 0.00 1.37 0.00 0.00 1.35 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.78 0.39 7.81 85 Y 8.37 4.26 0.00 3.11 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 86 G 8.32 3.92 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 87 R 7.96 4.43 0.00 2.04 1.81 0.00 3.13 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 88 G 8.40 3.45 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 0.00 89 L 8.83 5.29 0.00 1.54 1.60 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.40 4.39 0.93 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 0.00 0.00 91 Y 8.68 4.96 0.00 3.04 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 92 L 8.90 5.01 0.00 1.55 1.47 0.59 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 9.10 5.08 0.00 2.79 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 94 A 9.35 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 95 D 9.93 4.37 0.00 2.78 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 96 G 8.50 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 97 K 8.07 4.51 0.00 1.98 1.75 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.43 7.81 98 M 8.46 3.81 0.00 1.87 1.62 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.39 0.00 99 V 8.71 3.65 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.92 0.00 0.00 100 N 7.95 4.37 0.00 2.90 2.92 0.00 0.00 6.79 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.06 3.93 0.00 1.98 1.93 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 2.39 2.43 0.00 102 A 8.01 4.04 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 0.00 0.00 0.00 0.00 0.00 103 L 7.98 3.51 0.00 1.84 1.63 1.00 0.65 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 0.00 104 V 7.52 3.76 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 1.07 0.00 0.00 1.06 0.00 0.00 105 R 8.67 3.95 0.00 1.91 2.06 0.00 3.33 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 106 Q 7.66 4.36 0.00 1.68 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.15 0.00 0.00 0.00 0.00 0.00 2.36 2.15 0.00 107 G 7.96 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 0.00 0.00 0.00 108 L 7.54 4.36 0.00 1.47 1.52 0.54 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.25 4.69 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 0.00 110 K 8.48 4.79 0.00 1.76 1.81 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.50 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.60 1.19 7.81 111 V 9.00 4.27 2.13 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 0.77 0.00 0.00 0.97 0.00 0.00 112 A 8.94 4.29 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 0.00 113 Y 8.53 3.76 0.00 2.82 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 0.00 114 V 7.38 3.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.91 0.00 0.00 115 Y 7.99 4.61 0.00 3.09 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 0.00 116 K 8.54 4.10 0.00 1.78 1.83 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.49 7.81 117 P 0.00 4.81 0.00 2.21 2.15 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 118 N 8.11 4.83 0.00 2.97 2.88 0.00 0.00 6.61 8.02 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 0.00 119 N 7.71 5.14 0.00 2.90 2.96 0.00 0.00 6.09 7.22 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 0.00 120 T 8.59 3.85 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 1.15 0.00 0.00 121 H 8.04 4.88 0.00 2.98 3.09 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.28 4.00 0.00 2.14 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 2.30 2.35 0.00 123 Q 7.99 3.91 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.61 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 124 H 8.31 3.98 0.00 3.23 3.46 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.01 4.05 0.00 1.79 1.74 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 126 R 7.97 3.90 0.00 2.09 1.94 0.00 3.11 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 127 K 8.40 3.92 0.00 1.79 1.78 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.58 7.81 128 S 7.92 4.12 0.00 3.87 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 0.00 129 E 8.47 3.89 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.54 0.00 130 A 7.90 3.73 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.96 3.77 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 132 A 8.20 4.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.55 3.37 0.00 1.49 1.42 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.36 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.62 0.21 7.81 134 K 7.65 3.83 0.00 1.85 1.92 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.42 7.81 135 E 8.00 4.29 0.00 1.98 1.96 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 2.29 2.51 0.00 136 K 7.56 4.29 0.00 1.90 1.96 0.00 1.90 0.00 0.00 1.99 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.52 7.81 137 L 8.12 4.36 0.00 1.80 1.67 1.03 0.67 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 0.00 138 N 9.39 3.71 0.00 2.48 1.58 0.00 0.00 7.15 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 0.00 139 I 5.42 3.19 1.35 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.00 -0.79 0.00 0.00 140 W 8.31 4.93 0.00 3.52 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 0.00 141 S 7.83 4.42 0.00 4.05 4.01 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