NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3873 8.5298 119.6740 55.6164 33.2171 174.5382 2 N 4.5860 7.2783 120.5798 49.7354 41.5029 173.6174 3 I 3.5639 9.1566 120.4906 64.2719 38.1548 178.8073 4 F 3.9212 8.1623 118.0242 60.6462 38.9885 177.4129 5 E 3.9770 8.7726 118.3817 59.2821 29.1514 179.1808 6 M 3.6024 8.0084 118.5823 58.6724 32.3272 178.4387 7 L 3.9615 8.0605 119.2701 57.5260 41.6728 179.4640 8 R 3.6760 8.3819 119.1989 59.2827 29.7317 178.7040 9 I 3.7171 7.5366 118.7527 64.6459 37.2676 177.9609 10 D 4.5766 8.1571 118.2560 56.5537 40.7592 177.7221 11 E 4.5260 8.5328 117.7624 55.7533 31.0012 177.1257 12 G 3.7549 8.4217 108.2525 44.3908 0.0000 171.6961 13 L 4.8788 8.0354 119.5801 53.4517 44.2879 175.7733 14 R 4.6588 8.8028 124.8471 54.5857 33.7584 176.0099 15 L 4.5622 8.7636 121.7059 54.9106 43.0515 176.0040 16 K 5.1314 7.8345 117.8678 53.9754 35.3194 176.0675 17 I 4.1933 8.2890 124.3147 62.5732 37.6552 174.9333 18 Y 5.0934 9.0042 123.5013 55.5176 42.1593 173.7501 19 K 4.8112 8.7089 119.4870 55.2226 33.6979 177.4681 20 D 4.8705 8.7618 125.0341 52.8478 41.1302 176.7569 21 T 3.8595 8.5095 107.9811 64.6391 68.8294 174.6577 22 E 4.0640 8.3083 119.5105 55.9261 29.7192 176.6583 23 G 3.6654 8.1313 107.3501 45.4692 0.0000 172.7724 24 Y 4.8195 7.9752 117.6514 55.9848 40.3452 174.9457 25 Y 4.7502 8.3124 121.1074 58.8528 39.1213 175.3073 26 T 5.0630 8.8744 119.6179 62.4915 73.8499 172.3086 27 I 4.7830 8.7730 122.2089 60.2523 42.2485 175.9347 28 G 4.0080 9.4852 114.1985 47.1956 0.0000 176.6181 29 I 5.0878 7.7632 117.9155 59.3061 35.5204 175.0312 30 G 4.0279 8.3139 109.1777 46.6504 0.0000 171.3820 31 H 4.4032 8.4437 121.2051 54.1357 29.1886 174.2153 32 L 4.1811 8.0939 129.6327 55.3121 42.5278 176.5072 33 L 4.2666 8.7232 126.8797 56.8073 42.2883 176.7938 34 T 4.1740 7.2154 107.9938 61.6858 69.6439 172.6563 35 K 3.6877 8.2739 123.6919 55.9733 32.6945 177.2709 36 S 4.2265 7.9701 115.3220 57.8685 62.6442 172.0980 37 P 4.5997 0.0000 0.0000 63.3745 31.7650 176.0878 38 S 4.6654 8.2043 115.4412 57.1894 63.7155 174.3064 39 L 3.1437 8.5386 130.6172 58.0824 41.8208 178.6853 40 N 4.2596 8.0448 115.9113 55.9672 38.5392 177.0876 41 A 3.9503 8.1633 122.1908 54.9779 18.3752 179.5099 42 A 3.9321 7.9861 119.3255 55.2780 18.3409 180.0560 43 K 3.8550 8.2237 117.3252 59.4915 32.0569 179.5595 44 S 4.0530 8.2466 113.5954 61.3733 62.2575 175.9975 45 E 3.9564 8.2867 121.3277 59.3237 29.1449 179.1306 46 L 3.9494 8.1740 120.4936 58.2701 42.0874 178.8068 47 D 4.6006 8.2714 120.3524 56.7220 40.5332 178.5968 48 K 3.8756 8.0045 118.9060 59.5342 32.2487 178.4119 49 A 4.1274 7.9646 120.1856 54.9078 18.3940 179.0818 50 I 4.0817 7.9635 117.0777 61.5426 37.5005 177.1154 51 G 3.9111 9.8090 107.5460 45.2542 0.0000 172.8977 52 R 4.4417 7.3541 113.8754 54.5214 31.9516 173.7699 53 N 4.9230 8.5659 117.9547 53.4157 37.9467 174.2457 54 T 4.1631 9.3069 117.6646 61.4328 70.1364 174.8114 55 N 4.4035 9.2490 119.4129 54.4030 37.5067 174.4166 56 G 3.9815 8.7935 105.1050 44.8538 0.0000 173.1454 57 V 5.1370 7.1827 118.6226 60.9166 34.3384 174.4439 58 I 4.9522 8.6722 120.1716 59.1653 41.0757 174.7144 59 T 4.3329 9.0150 113.2559 60.6127 70.3634 175.9154 60 K 3.9019 8.7577 122.6619 59.9555 32.0827 178.5070 61 D 4.3712 8.0752 118.5481 57.4134 40.7768 178.4998 62 E 3.9681 8.3619 118.9204 59.2707 29.4914 179.0877 63 A 4.0718 8.4065 121.2421 55.4738 18.3788 179.6196 64 E 4.2396 8.6236 117.1263 59.0675 29.5016 179.5478 65 K 3.9790 8.2510 120.1341 59.5896 32.3008 178.8436 66 L 4.0620 8.0207 119.3139 57.7621 41.3877 179.3922 67 F 4.7002 8.4807 120.6541 61.4593 39.3836 176.8487 68 N 4.5071 8.6210 116.3376 56.6655 38.3137 177.3383 69 Q 4.0605 8.2529 119.2266 59.2312 28.8248 178.7768 70 D 4.3737 8.6926 120.3497 57.0987 40.8611 179.0736 71 V 3.6141 8.2223 119.2666 65.9173 31.4300 177.3735 72 D 4.3201 8.2122 117.6151 57.5727 40.9475 178.2576 73 A 3.9668 8.3783 121.1326 55.0209 18.2692 179.5084 74 A 3.8813 8.1645 119.3598 55.1860 18.4337 180.0413 75 V 3.2839 7.7622 116.7144 66.2920 31.6548 178.5975 76 R 3.9719 8.3851 118.2733 58.9685 29.5899 179.3376 77 G 3.5489 8.1327 105.4225 47.5952 0.0000 175.5280 78 I 3.7888 7.7656 122.2657 64.3010 36.9735 178.5594 79 L 4.0822 7.6997 117.5749 56.9000 41.5279 178.8084 80 R 4.2840 7.7117 116.3490 55.6091 30.6578 175.4691 81 N 4.7373 7.4888 118.9952 51.7288 39.9462 175.5683 82 A 4.0193 8.6150 127.5679 54.5922 18.5426 178.8936 83 K 4.1783 8.3791 116.7524 58.7948 32.7148 178.7363 84 L 4.2651 7.9867 118.5642 56.8869 41.8815 178.7363 85 K 3.9141 8.2970 120.2660 59.2224 31.9257 176.9734 86 P 4.3570 0.0000 0.0000 65.8021 31.4622 178.2654 87 V 3.7301 7.7465 117.4631 65.9564 31.6532 176.8934 88 Y 4.1150 8.2956 119.5723 61.2261 38.3840 178.1398 89 D 4.4538 8.5190 118.6261 57.2157 40.9826 178.5033 90 S 4.3214 7.8087 112.7985 59.2127 63.5418 174.3101 91 L 4.6209 6.8754 122.6245 53.2384 43.0334 176.5005 92 D 4.5479 8.2622 120.7866 53.0137 41.6281 177.2369 93 A 3.8637 8.3380 121.4067 55.1425 18.4059 180.2162 94 V 3.0769 7.5335 116.3422 66.1261 31.6785 178.4607 95 R 3.6321 8.1369 117.7731 58.8354 29.7400 179.2054 96 R 3.8325 8.1311 118.3274 59.1103 29.9137 178.6999 97 A 3.9852 7.7749 119.7803 55.2303 18.3611 179.4320 98 A 3.6403 7.3787 118.7116 55.1408 18.2231 179.6836 99 L 4.1604 7.9511 118.7828 58.3274 42.1884 179.1721 100 I 3.7356 8.0881 120.0072 64.2669 37.0280 177.7385 101 N 4.2765 8.4063 118.0918 57.1804 38.7231 176.7847 102 M 3.9197 7.9943 119.9301 58.3720 31.8834 179.0108 103 V 3.5156 7.8967 118.4312 65.7318 31.4466 177.7154 104 F 3.9718 8.4793 120.1734 61.4245 39.2602 176.6329 105 Q 4.3525 8.2757 118.2390 58.3589 29.1189 176.1823 106 M 4.5536 8.3103 113.5440 54.1410 32.6370 176.7097 107 G 4.0471 8.3306 105.0657 45.9965 0.0000 174.4228 108 E 3.8474 8.6500 119.5285 59.5575 29.4650 179.2026 109 T 3.9630 7.9669 115.3137 66.5814 68.3268 176.4275 110 G 3.7942 8.0516 105.7712 48.1314 0.0000 175.3837 111 V 3.5969 7.9074 120.7614 65.2736 31.3186 177.8878 112 A 4.1481 8.1365 119.6971 54.4521 18.2672 179.1153 113 G 3.7603 7.7544 102.7247 45.3858 0.0000 173.9645 114 F 4.2745 8.1921 121.8718 57.1961 40.0168 176.0647 *116 N 4.6584 8.7100 121.8859 53.5573 40.6208 177.0179 117 S 4.1602 8.1050 113.6799 61.6106 62.8655 176.5348 118 L 3.9323 8.2440 121.9285 57.7021 41.3489 179.6167 119 R 3.8423 7.8766 118.1758 59.7516 30.1608 178.3728 120 M 4.0227 8.0472 118.5087 58.2071 31.8676 178.8069 121 L 3.9738 8.2176 119.6972 57.8001 41.5829 179.2664 122 Q 3.9712 8.0783 118.6941 59.0684 29.0657 177.7096 123 Q 3.9978 7.8915 116.8538 55.5133 29.1009 175.8917 124 K 2.0000 7.1249 118.3000 57.0695 30.1368 177.6003 125 R 4.1131 6.8845 118.8798 54.6280 28.0043 176.3036 126 W 4.5119 7.6004 122.8834 59.7759 29.6107 177.4984 127 D 4.4977 8.2135 118.4825 57.3523 40.3790 178.4897 128 E 3.9681 8.1948 118.5031 59.2919 29.4841 179.0135 129 A 4.0106 8.4076 120.9135 55.0937 17.9787 179.5486 130 A 4.0585 8.2168 119.2847 55.3479 18.2669 180.0036 131 V 3.5180 7.5880 115.6915 66.2191 32.0050 177.5083 132 N 4.4806 8.2740 116.7900 56.5787 38.5787 176.9269 133 L 4.3985 8.3460 119.9456 57.6789 41.8210 178.8792 134 A 3.7951 7.5744 118.6863 53.1958 19.6027 178.2560 135 K 4.3124 7.4538 119.3243 54.3163 30.9391 176.8148 136 S 4.7006 7.4550 114.7097 55.8090 67.5607 175.1008 137 R 3.9487 8.7770 123.4659 59.4796 29.7530 178.2612 138 W 4.5669 8.6672 127.6456 61.0419 30.4776 177.0388 139 Y 3.3948 8.4008 118.8718 60.7234 38.0500 177.7893 140 N 4.3379 8.1154 115.9634 56.4580 38.7129 177.0476 141 Q 4.2831 8.3958 119.0246 57.2228 30.4945 176.5243 142 T 4.5429 7.7692 109.6841 58.4260 68.6630 172.5161 143 P 3.6142 0.0000 0.0000 65.9063 31.9081 178.4957 144 N 4.2318 7.7689 115.8230 55.8411 38.5215 177.2829 145 R 3.8304 7.7383 119.4615 59.2966 30.3507 178.2005 146 A 3.5085 7.8426 120.8928 54.8796 18.1301 179.5955 147 K 3.9816 8.2160 117.3466 59.7768 32.1364 179.7358 148 R 3.8042 7.8364 117.9890 59.1933 29.9687 179.3157 149 V 3.7318 8.1024 118.0373 66.1897 31.5720 178.1833 150 I 4.1515 8.6161 119.9693 64.8606 36.9459 178.5489 151 T 4.0017 8.5281 117.0452 66.8029 68.0966 176.8701 152 T 3.8685 7.8353 117.7109 66.7137 68.2580 176.7825 153 F 4.1537 7.8693 118.3609 60.4639 38.9461 177.4640 154 R 4.1862 8.3951 118.4812 58.8432 30.0251 177.6953 155 T 4.3360 7.8794 107.3609 60.4062 69.9736 175.2975 156 G 3.5216 7.8096 109.2040 46.0486 0.0000 172.8229 157 T 4.4426 7.3407 108.2960 59.3124 71.7226 173.2831 158 W 4.9890 8.3705 118.4109 56.9164 29.2492 178.4942 159 D 4.3913 8.2098 122.2650 57.4177 40.2931 178.5092 160 A 4.0958 8.1122 119.8431 53.8753 18.9247 177.1801 161 Y 4.4326 8.2657 112.7793 57.3682 38.9071 175.5833 162 K 4.2993 7.7493 122.2867 57.2187 32.8135 176.5611 163 N 4.4051 8.8725 120.9433 53.6410 36.2336 174.3835 164 L 4.2979 7.6555 123.3640 54.8398 41.8791 176.2300 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 8.53 4.39 0.00 0.51 1.42 0.00 0.00 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.15 0.00 2 N 7.28 4.59 0.00 3.08 2.80 0.00 0.00 5.74 6.70 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 3 I 9.16 3.56 1.84 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 1.45 1.03 0.65 0.00 0.00 4 F 8.16 3.92 0.00 3.29 3.12 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 0.00 0.00 0.00 5 E 8.77 3.98 0.00 1.77 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 0.00 2.30 2.43 0.00 6 M 8.01 3.60 0.00 2.00 1.66 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 2.22 0.00 7 L 8.06 3.96 0.00 1.85 1.44 0.37 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.38 3.68 0.00 1.95 2.16 0.00 3.00 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 9 I 7.54 3.72 2.21 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.76 1.04 0.00 0.00 10 D 8.16 4.58 0.00 2.74 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 11 E 8.53 4.53 0.00 1.89 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 2.36 2.46 0.00 12 G 8.42 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 13 L 8.04 4.88 0.00 1.46 1.46 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.80 4.66 0.00 1.42 1.59 0.00 2.65 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.24 0.00 15 L 8.76 4.56 0.00 1.62 1.90 0.98 1.11 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 16 K 7.83 5.13 0.00 1.66 1.74 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.46 7.81 17 I 8.29 4.19 1.88 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 1.29 0.65 0.94 0.00 0.00 18 Y 9.00 5.09 0.00 3.05 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 19 K 8.71 4.81 0.00 1.64 1.55 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.83 1.34 7.81 20 D 8.76 4.87 0.00 2.89 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 21 T 8.51 3.86 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 1.27 0.00 0.00 22 E 8.31 4.06 0.00 1.75 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 2.27 2.30 0.00 23 G 8.13 3.67 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 0.00 0.00 0.00 24 Y 7.98 4.82 0.00 3.14 2.88 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 25 Y 8.31 4.75 0.00 3.02 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.87 5.06 3.33 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 1.13 0.00 0.00 27 I 8.77 4.78 1.92 0.00 0.00 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 1.27 1.60 0.98 0.00 0.00 28 G 9.49 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 0.00 0.00 0.00 29 I 7.76 5.09 1.25 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.63 0.03 0.00 0.00 30 G 8.31 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 31 H 8.44 4.40 0.00 3.35 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.09 4.18 0.00 1.54 1.41 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.72 4.27 0.00 1.86 1.71 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.22 4.17 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 1.35 0.00 0.00 35 K 8.27 3.69 0.00 1.45 1.16 0.00 1.53 0.00 0.00 1.16 0.00 0.00 2.51 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.30 0.92 7.81 36 S 7.97 4.23 0.00 3.83 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 37 P 0.00 4.60 0.00 2.29 2.19 0.00 3.86 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 38 S 8.20 4.67 0.00 3.96 3.81 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 39 L 8.54 3.14 0.00 1.55 1.53 0.30 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.04 4.26 0.00 2.74 2.82 0.00 0.00 7.05 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 41 A 8.16 3.95 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 42 A 7.99 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.22 3.86 0.00 1.87 1.82 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.33 7.81 44 S 8.25 4.05 0.00 3.87 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 45 E 8.29 3.96 0.00 2.20 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 2.53 2.57 0.00 46 L 8.17 3.95 0.00 1.74 1.83 0.94 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.27 4.60 0.00 2.84 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 48 K 8.00 3.88 0.00 1.75 2.10 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 49 A 7.96 4.13 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 50 I 7.96 4.08 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 1.61 0.88 0.92 0.00 0.00 51 G 9.81 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 52 R 7.35 4.44 0.00 1.96 1.99 0.00 2.96 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 53 N 8.57 4.92 0.00 2.70 2.80 0.00 0.00 6.95 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 54 T 9.31 4.16 4.44 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 1.28 0.00 0.00 55 N 9.25 4.40 0.00 2.75 2.83 0.00 0.00 7.17 7.98 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 56 G 8.79 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 57 V 7.18 5.14 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 0.89 0.00 0.00 0.95 0.00 0.00 58 I 8.67 4.95 2.01 0.00 0.00 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 1.48 0.88 0.93 0.00 0.00 59 T 9.01 4.33 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 60 K 8.76 3.90 0.00 1.85 1.86 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.55 7.81 61 D 8.08 4.37 0.00 2.77 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 62 E 8.36 3.97 0.00 2.20 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 2.34 0.00 63 A 8.41 4.07 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 64 E 8.62 4.24 0.00 2.22 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 2.47 2.51 0.00 65 K 8.25 3.98 0.00 1.94 1.99 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.51 7.81 66 L 8.02 4.06 0.00 1.96 1.68 0.82 0.95 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 67 F 8.48 4.70 0.00 3.26 3.38 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 68 N 8.62 4.51 0.00 3.00 2.92 0.00 0.00 7.06 8.17 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 69 Q 8.25 4.06 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 70 D 8.69 4.37 0.00 3.17 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 71 V 8.22 3.61 1.70 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 0.46 0.00 0.00 0.14 0.00 0.00 72 D 8.21 4.32 0.00 2.99 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 73 A 8.38 3.97 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 74 A 8.16 3.88 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 75 V 7.76 3.28 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 0.98 0.00 0.00 0.90 0.00 0.00 76 R 8.39 3.97 0.00 1.80 1.93 0.00 3.30 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 77 G 8.13 3.55 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 0.00 78 I 7.77 3.79 1.66 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.53 0.58 0.00 0.00 79 L 7.70 4.08 0.00 1.53 1.68 0.86 0.73 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 80 R 7.71 4.28 0.00 1.81 1.95 0.00 3.12 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 81 N 7.49 4.74 0.00 2.99 2.77 0.00 0.00 6.95 8.27 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 82 A 8.62 4.02 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 83 K 8.38 4.18 0.00 1.85 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.62 7.81 84 L 7.99 4.27 0.00 1.82 1.71 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.30 3.91 0.00 1.98 1.84 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.51 7.81 86 P 0.00 4.36 0.00 2.28 2.20 0.00 3.83 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 87 V 7.75 3.73 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 1.07 0.00 0.00 1.08 0.00 0.00 88 Y 8.30 4.11 0.00 3.14 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 89 D 8.52 4.45 0.00 2.85 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 90 S 7.81 4.32 0.00 4.09 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 91 L 6.88 4.62 0.00 1.68 1.59 1.10 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.26 4.55 0.00 2.85 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 93 A 8.34 3.86 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 94 V 7.53 3.08 1.76 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 -0.22 0.00 0.00 0.58 0.00 0.00 95 R 8.14 3.63 0.00 1.86 2.03 0.00 2.68 0.00 0.00 2.64 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 96 R 8.13 3.83 0.00 1.83 1.78 0.00 2.83 0.00 0.00 2.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.41 0.00 97 A 7.77 3.99 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 98 A 7.38 3.64 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.95 4.16 0.00 2.12 2.05 1.03 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.09 3.74 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.76 0.88 0.00 0.00 101 N 8.41 4.28 0.00 2.86 3.03 0.00 0.00 7.25 8.41 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 0.00 102 M 7.99 3.92 0.00 1.62 2.06 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 1.95 0.00 103 V 7.90 3.52 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 1.05 0.00 0.00 0.95 0.00 0.00 104 F 8.48 3.97 0.00 3.15 3.25 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 0.00 105 Q 8.28 4.35 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.48 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 106 M 8.31 4.55 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 107 G 8.33 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 0.00 108 E 8.65 3.85 0.00 2.01 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 2.36 2.37 0.00 109 T 7.97 3.96 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 0.00 110 G 8.05 3.79 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 120 M 8.05 4.02 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.53 0.00 121 L 8.22 3.97 0.00 1.79 1.80 0.23 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 8.08 3.97 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 123 Q 7.89 4.00 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 124 K 7.12 2.00 0.00 1.45 1.03 0.00 1.66 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.02 1.16 7.81 125 R 6.88 4.11 0.00 1.70 1.90 0.00 3.03 0.00 0.00 3.24 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 126 W 7.60 4.51 0.00 3.36 3.25 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 0.00 127 D 8.21 4.50 0.00 2.82 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 0.00 128 E 8.19 3.97 0.00 2.12 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 2.37 0.00 129 A 8.41 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 0.00 130 A 8.22 4.06 1.52 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 0.00 0.00 131 V 7.59 3.52 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 0.81 0.00 0.00 0.94 0.00 0.00 132 N 8.27 4.48 0.00 2.90 2.95 0.00 0.00 7.25 6.01 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 0.00 133 L 8.35 4.40 0.00 2.01 2.22 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.57 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.45 4.31 0.00 1.92 1.77 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.47 7.81 136 S 7.46 4.70 0.00 4.30 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.78 3.95 0.00 1.97 2.11 0.00 3.27 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 138 W 8.67 4.57 0.00 3.68 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.40 3.39 0.00 3.02 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 0.00 140 N 8.12 4.34 0.00 2.92 2.91 0.00 0.00 7.15 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.40 4.28 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.21 0.00 0.00 0.00 0.00 0.00 2.68 2.56 0.00 142 T 7.77 4.54 4.18 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 0.00 0.00 1.24 0.00 0.00 143 P 0.00 3.61 0.00 1.86 1.78 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.70 0.00 144 N 7.77 4.23 0.00 2.68 2.81 0.00 0.00 6.78 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 0.00 145 R 7.74 3.83 0.00 1.89 1.92 0.00 3.34 0.00 0.00 3.66 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.97 0.00 146 A 7.84 3.51 0.08 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 0.00 0.00 147 K 8.22 3.98 0.00 1.90 1.87 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.59 7.81 148 R 7.84 3.80 0.00 1.97 1.48 0.00 2.21 0.00 0.00 2.73 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.60 0.00 149 V 8.10 3.73 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 1.27 0.00 0.00 1.29 0.00 0.00 150 I 8.62 4.15 2.09 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.97 1.11 0.00 0.00 151 T 8.53 4.00 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 1.22 0.00 0.00 152 T 7.84 3.87 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 0.72 0.00 0.00 153 F 7.87 4.15 0.00 3.26 3.06 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 0.00 154 R 8.40 4.19 0.00 1.95 2.12 0.00 3.29 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 155 T 7.88 4.34 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 1.22 0.00 0.00 156 G 7.81 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 7.34 4.44 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 1.19 0.00 0.00 158 W 8.37 4.99 0.00 3.46 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 0.00 159 D 8.21 4.39 0.00 2.79 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 0.00 160 A 8.11 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 Y 8.27 4.43 0.00 3.30 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 0.00 162 K 7.75 4.30 0.00 1.74 1.75 0.00 1.93 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.43 7.81 163 N 8.87 4.41 0.00 2.94 2.96 0.00 0.00 6.91 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 L 7.66 4.30 0.00 1.93 1.60 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.