NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.2991 8.1744 115.2445 60.9946 68.3885 174.2491 5 S 4.3908 5.8100 108.5822 57.3741 66.3750 172.5057 6 D 4.5797 8.8916 124.7632 53.9191 41.9869 175.5597 7 L 3.8079 7.7855 121.8156 55.1875 42.0160 176.9048 8 I 3.8887 8.3408 127.7426 60.5728 37.5251 174.4223 9 P 4.4566 0.0000 0.0000 61.9576 32.0328 176.0911 10 A 2.8439 8.3601 123.6044 51.4481 18.7756 175.9226 11 P 4.3395 0.0000 0.0000 61.1165 32.5399 174.4412 12 P 4.2938 0.0000 0.0000 62.3441 32.0969 177.4234 13 L 3.7333 8.4896 121.0422 57.8133 41.6862 179.5943 14 S 4.3351 7.9260 111.8194 60.5142 62.7918 175.0053 15 K 4.1036 7.9403 119.1743 56.4869 32.2058 176.9173 16 V 4.0842 7.4779 119.9360 59.8892 30.8923 173.3920 17 P 4.3338 0.0000 0.0000 62.5413 31.9366 175.0103 18 L 5.0169 7.9361 121.1914 52.8457 44.4504 175.8296 19 Q 4.0548 8.8303 128.4050 56.7024 29.3550 176.3570 20 Q 4.0458 8.8687 125.3557 56.1816 29.5983 175.6675 21 N 4.0634 8.6057 119.2896 54.2237 37.3176 174.4909 22 F 4.2901 8.0760 119.6368 58.9293 40.5478 174.2810 23 Q 4.2119 8.4423 128.0898 53.7087 27.9542 175.8289 24 D 4.6610 8.4780 123.7611 55.3735 39.5646 177.9215 25 N 4.7828 7.9100 114.5000 52.7643 37.5669 175.1262 26 Q 4.4077 7.7319 117.3389 56.2362 30.9182 176.2795 27 F 4.9763 7.8102 118.2658 59.3446 39.7690 174.9646 28 H 4.6256 8.1820 115.3582 56.0920 29.4373 173.9654 29 G 3.4994 9.0817 105.1825 43.7873 0.0000 171.7629 30 K 4.5990 7.7247 119.4202 55.0977 33.3382 176.9398 31 W 4.9631 8.7509 126.1706 55.0739 33.1986 173.7282 32 Y 4.7603 9.3525 121.5319 56.5888 39.8690 175.5072 33 V 4.1457 8.3058 124.2874 62.3450 30.6236 175.5539 34 V 3.9829 8.5294 129.3923 64.8553 32.9653 175.8436 35 G 3.8403 7.9429 105.7966 44.1466 0.0000 171.6706 36 L 5.3346 8.8255 124.3641 53.2435 45.7237 174.8417 37 A 5.1710 9.5887 127.4453 50.1941 22.9961 175.1158 38 G 3.8162 8.0289 107.9527 45.0144 0.0000 174.3264 39 N 4.2814 7.6580 117.0021 54.4389 37.3897 176.1407 40 R 4.4525 7.7468 116.1626 55.8721 31.2150 175.4053 41 I 4.2307 7.4935 120.9306 59.8525 38.2495 174.5313 42 L 4.9649 8.1281 124.2933 52.5617 44.5204 176.3401 43 R 4.0105 9.2171 126.5914 56.4984 30.9461 175.9528 44 D 4.5917 8.5796 125.4293 52.9073 42.9370 175.1744 45 D 4.4961 8.8709 125.8512 56.3724 41.1429 178.0162 46 Q 4.1654 8.3129 117.6932 57.9380 29.3535 176.0484 47 H 4.8781 8.1004 114.3364 52.8066 29.0944 171.2704 48 P 4.3929 0.0000 0.0000 62.8870 32.5065 176.3622 49 M 4.4442 8.3707 120.0224 54.8606 33.6893 175.0068 50 N 4.9100 8.7056 123.1456 53.1152 39.6768 174.7093 51 M 4.5155 8.9097 123.3193 55.9956 33.3795 174.5721 52 Y 5.1587 8.4199 121.0971 55.3665 42.6270 173.2769 53 A 5.2006 8.8912 119.9945 50.4168 22.9963 175.2494 54 T 4.9428 8.7111 115.4415 61.7691 72.7645 173.1405 55 I 4.7115 8.7594 126.9726 59.6779 40.2687 174.1208 56 Y 4.5898 9.2028 125.8070 56.5211 39.6405 174.8053 57 E 5.0386 8.9542 125.7778 54.0939 31.6893 175.6819 58 L 4.3723 8.9631 127.9235 55.3810 42.8344 176.8633 59 K 4.5678 9.3081 126.5663 54.8298 33.9664 177.6988 60 E 3.9538 8.9014 119.4968 59.5148 29.3935 177.4803 61 D 4.6557 8.0315 116.5576 52.9966 39.4623 177.1777 62 K 3.9658 7.9861 117.6166 56.9140 30.6415 176.1970 63 S 4.8984 8.1919 114.7647 57.7413 65.5388 172.3575 64 Y 5.4152 9.0882 117.4203 56.4082 41.1232 175.0673 65 N 4.8762 9.2900 121.2291 52.1817 40.4037 174.3781 66 V 4.1389 8.7612 125.8106 61.4636 33.2532 174.3505 67 T 4.9231 8.4139 125.8167 61.9304 70.9555 173.8104 68 S 5.0536 8.8229 122.6857 56.7028 65.7518 173.2110 69 V 4.1815 8.8139 124.9179 61.1129 33.4719 174.3300 70 I 4.8660 8.5754 128.5969 59.4952 41.2073 174.9375 71 S 5.0877 8.7419 120.6264 57.0626 62.9683 173.1218 72 S 4.7652 8.7236 122.7044 57.9739 65.9608 173.8449 73 H 4.3001 8.0807 120.7987 57.4103 28.1240 175.4814 74 K 4.5073 8.9325 126.4093 56.8563 32.1575 175.0990 75 K 4.7523 8.4503 119.1427 54.7323 35.7794 174.0080 76 C 5.3956 8.5694 117.1039 55.8083 42.2189 173.3206 77 E 4.9427 9.5187 122.0435 54.7982 32.5111 174.3426 78 Y 5.1526 8.9484 121.9183 56.3979 40.2753 175.2017 79 T 4.8463 8.6986 113.3996 60.0026 72.6766 172.8714 80 I 5.1658 8.3177 122.0002 59.7839 41.1699 174.4460 81 A 4.7940 8.8394 125.3744 50.7910 23.5006 174.9423 82 T 5.0418 8.6053 115.5264 61.9485 71.4637 173.4398 83 F 5.7418 9.2200 126.2667 56.4016 40.6181 175.0676 84 V 4.6167 9.1079 125.5726 60.8922 32.9652 173.4847 85 P 4.2694 0.0000 0.0000 63.7224 30.4519 176.6606 86 G 4.1927 8.3442 112.7780 45.5481 0.0000 174.8267 87 S 4.3710 8.7464 114.4858 60.6478 63.7126 174.2221 88 Q 4.4656 7.3087 118.9945 53.0950 32.6623 172.2982 89 P 4.2843 0.0000 0.0000 64.7484 31.5622 176.7824 90 G 3.0129 8.5441 110.8181 44.4323 0.0000 172.1094 91 E 5.0143 7.3842 119.1152 54.5796 33.1338 175.0632 92 F 5.4052 8.9557 120.5978 56.4356 44.4189 173.1295 93 T 5.3735 8.9771 109.6504 58.5538 72.5389 173.2115 94 L 4.7593 8.7878 121.6916 54.7217 42.1095 177.4264 95 G 4.1578 8.9561 110.7339 49.5386 0.0000 172.7077 96 N 5.3882 7.8740 116.0788 51.3646 41.9074 172.4373 97 I 4.2756 7.7701 110.9735 61.0115 40.2697 172.3298 *104 T 4.3672 7.9139 113.4783 63.4464 67.9684 171.8073 105 S 4.4925 7.8803 110.3976 58.0991 65.3436 174.5855 106 Y 5.2523 8.5184 128.8658 55.6668 41.7276 173.6022 107 L 4.8390 8.4832 128.6518 53.0621 45.3473 174.9146 108 V 4.4483 8.4275 125.6178 60.8804 34.4449 174.0676 109 R 4.7154 8.6807 127.8804 54.3281 33.3359 174.0874 110 V 3.6822 8.6768 127.9818 62.8301 31.7412 176.7067 111 V 4.1869 8.3851 129.0373 65.0961 32.0410 176.2904 112 S 4.8222 7.6669 112.4991 57.8473 65.5634 173.2120 113 T 4.1436 9.0801 120.4544 60.9980 70.3315 172.7915 114 D 4.6934 7.5375 125.3983 52.5017 39.9387 178.4815 115 Y 4.0328 7.7604 116.6012 59.3780 37.5758 170.1166 116 N 4.9054 8.6453 113.9917 52.9253 40.2361 173.7667 117 Q 4.6804 8.8414 118.3429 56.9903 31.0689 174.2968 118 Y 5.8610 8.0472 114.2239 55.8372 42.5471 172.8286 119 A 4.3669 8.9521 119.8884 50.6980 23.2817 175.2945 120 V 4.8816 9.0980 122.8675 61.1528 33.9684 174.7310 121 V 4.7798 8.5260 127.0518 61.0073 35.1217 173.5439 122 F 5.3054 8.8588 129.6987 56.5888 41.5882 174.2524 123 F 4.8502 8.8117 124.0720 55.4287 42.8403 174.1814 124 K 4.4460 8.0374 123.3564 54.8075 35.9113 174.1831 125 L 5.3267 8.6878 129.6819 53.4558 44.6146 175.0459 126 A 4.8123 8.6348 127.0984 50.4419 22.9398 174.6129 127 E 3.8354 8.9496 113.8293 56.9655 27.5157 174.6151 128 D 4.8131 7.6402 114.3308 52.6532 44.4611 175.5272 129 N 4.3743 8.9247 121.6745 55.8015 38.7382 175.7554 130 A 4.6848 10.0227 119.8993 51.5539 19.2057 176.4175 131 E 4.4275 7.6335 116.7582 58.6804 30.0371 176.4257 132 F 5.0191 8.4326 114.8642 56.6687 41.6681 172.3936 133 F 5.0636 8.8016 113.7507 55.4744 41.5513 173.3505 134 A 4.8419 8.9095 120.7267 51.3578 23.3271 175.1852 135 I 5.4540 9.5025 120.5104 59.8607 41.3628 175.0026 136 T 5.0240 9.1474 115.7429 59.8107 72.5855 172.8558 137 I 4.3823 7.9003 122.9902 59.4752 40.3268 174.1788 138 Y 5.1758 9.4813 129.2141 57.5502 39.6960 175.0970 139 G 4.8712 9.4892 108.9288 44.7664 0.0000 173.9856 140 R 4.3586 9.4081 121.9515 57.6912 30.7999 176.1442 141 T 4.7374 7.8390 107.3408 59.3895 71.6067 173.6774 142 K 4.0389 8.0475 118.5247 57.0636 32.2497 176.8766 143 E 4.8490 7.6762 117.1493 54.5240 33.3887 174.8495 144 L 4.8198 8.1166 119.0822 51.7620 45.8715 177.0698 145 A 4.1244 8.5416 123.0842 52.4934 20.1535 179.0874 146 S 4.0094 8.6174 117.2388 61.6999 63.0276 176.7674 147 E 3.9572 8.1605 121.5416 59.2030 29.1361 179.2866 148 L 3.9002 7.7502 118.3597 57.7445 41.7649 179.4352 149 K 4.1859 7.8242 118.5204 59.5443 31.9128 179.2453 150 E 4.0318 8.6161 119.2449 59.6188 29.3316 179.1639 151 N 4.4073 8.2029 116.3954 56.3078 38.4818 177.2838 152 F 4.3656 8.6081 122.3107 61.2097 39.4647 177.3525 153 I 3.6569 8.2643 119.7529 64.5358 36.7668 178.6243 154 R 3.9528 7.9724 117.5330 59.1167 30.2652 178.6857 155 F 4.2997 8.5950 120.7840 61.4263 39.5663 177.1739 156 S 3.8436 8.0976 115.1247 61.7389 62.5961 177.0780 157 K 4.7421 8.2531 122.3923 58.6790 31.5422 179.1770 158 S 4.2688 7.5794 112.8618 59.9457 63.1046 175.2740 159 L 4.3797 7.3495 121.0849 54.2143 41.7876 176.7618 160 G 3.8588 7.8735 107.2184 45.2212 0.0000 173.3879 161 L 4.4488 7.7046 120.4439 51.9878 42.4730 174.9505 162 P 4.8071 0.0000 0.0000 61.7829 32.6864 177.0584 163 E 4.0140 8.7782 117.9288 59.5195 29.4780 178.8219 164 N 4.6536 8.2270 113.9871 54.3761 38.0008 175.4006 165 H 5.6305 8.3159 115.8888 54.9091 29.1480 173.3940 166 I 5.0611 7.6013 119.6447 59.6730 39.9219 175.4233 167 V 4.5268 8.8977 119.4268 59.5555 36.1571 174.9689 168 F 4.9135 8.6121 121.1145 53.8016 40.3495 173.0526 169 P 4.5276 0.0000 0.0000 63.0636 32.1031 176.3329 170 V 3.8793 9.0513 124.4450 61.9494 32.6113 173.5667 171 P 4.7259 0.0000 0.0000 62.7466 31.5889 175.8159 172 I 4.6392 8.3256 116.8739 59.2410 40.4086 175.0355 173 D 4.9406 8.4421 119.3501 54.3413 41.8620 176.9677 174 Q 4.3781 7.8708 118.6286 55.9332 29.9395 178.1176 175 C 4.2654 8.8720 116.2281 58.0702 39.4075 173.9297 176 I 4.2008 7.7853 110.0653 60.5072 38.1576 175.4159 177 D 4.6747 7.9990 126.8777 54.7028 41.0175 175.9887 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 4 T 8.17 4.30 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 5 S 5.81 4.39 0.00 3.83 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 6 D 8.89 4.58 0.00 2.72 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 7 L 7.79 3.81 0.00 1.62 1.69 0.97 1.00 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 8 I 8.34 3.89 1.93 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.62 1.14 0.00 0.00 9 P 0.00 4.46 0.00 2.15 2.06 0.00 3.82 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 1.98 1.96 0.00 10 A 8.36 2.84 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.34 0.00 1.94 1.97 0.00 2.97 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 12 P 0.00 4.29 0.00 2.14 2.12 0.00 3.57 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 13 L 8.49 3.73 0.00 1.60 1.61 0.84 0.66 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 14 S 7.93 4.34 0.00 3.91 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.94 4.10 0.00 1.70 1.75 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.26 7.81 16 V 7.48 4.08 1.68 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 0.33 0.00 0.00 0.03 0.00 0.00 17 P 0.00 4.33 0.00 2.13 1.93 0.00 3.71 0.00 0.00 3.97 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 18 L 7.94 5.02 0.00 1.47 1.43 0.72 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.83 4.05 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.65 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 20 Q 8.87 4.05 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.40 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 21 N 8.61 4.06 0.00 2.79 2.83 0.00 0.00 6.97 7.02 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 22 F 8.08 4.29 0.00 3.02 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 23 Q 8.44 4.21 0.00 1.30 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.10 0.00 24 D 8.48 4.66 0.00 2.92 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 25 N 7.91 4.78 0.00 2.74 2.88 0.00 0.00 5.82 7.39 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 26 Q 7.73 4.41 0.00 1.31 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 27 F 7.81 4.98 0.00 3.21 3.39 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 28 H 8.18 4.63 0.00 3.62 3.63 0.00 5.56 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 9.08 3.50 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 0.00 30 K 7.72 4.60 0.00 1.52 1.38 0.00 1.45 0.00 0.00 1.01 0.00 0.00 2.55 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.67 1.02 7.81 31 W 8.75 4.96 0.00 2.42 2.41 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 32 Y 9.35 4.76 0.00 3.18 2.87 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 33 V 8.31 4.15 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 0.53 0.00 0.00 0.42 0.00 0.00 34 V 8.53 3.98 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 1.02 0.00 0.00 1.12 0.00 0.00 35 G 7.94 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 36 L 8.83 5.33 0.00 1.69 1.44 0.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 37 A 9.59 5.17 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.03 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 39 N 7.66 4.28 0.00 2.77 2.77 0.00 0.00 6.83 8.71 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 40 R 7.75 4.45 0.00 1.69 1.89 0.00 3.34 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 41 I 7.49 4.23 2.16 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.90 0.93 0.00 0.00 42 L 8.13 4.96 0.00 1.41 1.48 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 R 9.22 4.01 0.00 1.94 1.89 0.00 3.46 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 44 D 8.58 4.59 0.00 2.79 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.87 4.50 0.00 2.72 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 46 Q 8.31 4.17 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.22 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 47 H 8.10 4.88 0.00 3.05 3.21 0.00 5.86 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.39 0.00 2.20 2.08 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 49 M 8.37 4.44 0.00 2.17 1.98 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 2.65 2.66 0.00 50 N 8.71 4.91 0.00 2.69 2.78 0.00 0.00 6.98 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 51 M 8.91 4.52 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.62 0.00 52 Y 8.42 5.16 0.00 3.19 2.93 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 53 A 8.89 5.20 1.05 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 54 T 8.71 4.94 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 0.83 0.00 0.00 55 I 8.76 4.71 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.64 0.82 0.00 0.00 56 Y 9.20 4.59 0.00 2.55 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 0.00 0.00 0.00 0.00 57 E 8.95 5.04 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 58 L 8.96 4.37 0.00 1.85 1.67 1.02 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 59 K 9.31 4.57 0.00 1.97 1.76 0.00 1.77 0.00 0.00 2.02 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.46 7.81 60 E 8.90 3.95 0.00 2.09 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 2.30 2.27 0.00 61 D 8.03 4.66 0.00 2.82 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 62 K 7.99 3.97 0.00 2.01 2.08 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.37 7.81 63 S 8.19 4.90 0.00 4.25 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 64 Y 9.09 5.42 0.00 3.07 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 65 N 9.29 4.88 0.00 2.83 2.76 0.00 0.00 6.42 8.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.76 4.14 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 0.04 0.00 0.00 -0.05 0.00 0.00 67 T 8.41 4.92 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 1.23 0.00 0.00 68 S 8.82 5.05 0.00 3.67 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 69 V 8.81 4.18 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 0.50 0.00 0.00 0.43 0.00 0.00 70 I 8.58 4.87 1.77 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.58 0.81 0.00 0.00 71 S 8.74 5.09 0.00 3.90 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 72 S 8.72 4.77 0.00 3.98 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 73 H 8.08 4.30 0.00 3.24 2.49 0.00 5.87 0.00 0.00 0.00 0.00 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.93 4.51 0.00 1.75 1.83 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.46 7.81 75 K 8.45 4.75 0.00 1.75 1.69 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 76 C 8.57 5.40 0.00 3.06 3.15 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 77 E 9.52 4.94 0.00 1.81 1.82 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 2.24 2.27 0.00 78 Y 8.95 5.15 0.00 2.73 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 79 T 8.70 4.85 4.21 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 1.19 0.00 0.00 80 I 8.32 5.17 1.87 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 1.28 0.69 0.88 0.00 0.00 81 A 8.84 4.79 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 82 T 8.61 5.04 4.37 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 1.41 0.00 0.00 83 F 9.22 5.74 0.00 3.08 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 84 V 9.11 4.62 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 1.15 0.00 0.00 1.09 0.00 0.00 85 P 0.00 4.27 0.00 1.99 1.96 0.00 3.85 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.44 0.00 86 G 8.34 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 87 S 8.75 4.37 0.00 3.93 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 88 Q 7.31 4.47 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 89 P 0.00 4.28 0.00 2.10 2.14 0.00 3.61 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 2.04 2.09 0.00 90 G 8.54 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 0.00 0.00 0.00 91 E 7.38 5.01 0.00 1.70 1.58 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 1.97 2.11 0.00 92 F 8.96 5.41 0.00 2.80 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 93 T 8.98 5.37 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 1.27 0.00 0.00 94 L 8.79 4.76 0.00 1.71 1.75 0.76 1.19 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 95 G 8.96 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 7.87 5.39 0.00 2.70 2.78 0.00 0.00 6.68 7.45 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 97 I 7.77 4.28 1.90 0.00 0.00 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 1.33 0.38 0.96 0.00 0.00 *104 T 7.91 4.37 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 105 S 7.88 4.49 0.00 3.91 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 0.00 106 Y 8.52 5.25 0.00 2.99 2.80 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 0.00 107 L 8.48 4.84 0.00 1.66 1.33 0.82 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.43 4.45 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 0.73 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8.84 4.68 0.00 2.24 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 118 Y 8.05 5.86 0.00 3.34 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 0.00 119 A 8.95 4.37 0.44 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 0.00 120 V 9.10 4.88 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 1.07 0.00 0.00 1.11 0.00 0.00 121 V 8.53 4.78 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.99 0.00 0.00 122 F 8.86 5.31 0.00 3.12 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 0.00 123 F 8.81 4.85 0.00 2.83 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 0.00 124 K 8.04 4.45 0.00 1.43 1.43 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.29 7.81 125 L 8.69 5.33 0.00 1.87 1.24 1.12 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.91 4.84 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 0.00 135 I 9.50 5.45 2.13 0.00 0.00 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 1.72 0.98 1.47 0.00 0.00 136 T 9.15 5.02 3.79 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 1.17 0.00 0.00 137 I 7.90 4.38 1.19 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 1.22 1.55 0.17 0.00 0.00 138 Y 9.48 5.18 0.00 2.55 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 0.00 139 G 9.49 4.87 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 0.00 0.00 0.00 140 R 9.41 4.36 0.00 1.66 1.84 0.00 2.52 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.43 0.00 141 T 7.84 4.74 4.20 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 0.00 0.00 1.23 0.00 0.00 142 K 8.05 4.04 0.00 1.51 1.68 0.00 1.48 0.00 0.00 1.39 0.00 0.00 2.69 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.40 0.39 7.81 143 E 7.68 4.85 0.00 1.90 1.78 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 2.20 2.19 0.00 144 L 8.12 4.82 0.00 1.60 1.53 1.04 0.94 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 0.00 145 A 8.54 4.12 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 0.00 146 S 8.62 4.01 0.00 4.00 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 0.00 147 E 8.16 3.96 0.00 2.01 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 0.00 2.39 2.40 0.00 148 L 7.75 3.90 0.00 1.77 1.57 0.82 0.75 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 0.00 149 K 7.82 4.19 0.00 1.77 1.66 0.00 1.35 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.56 1.63 7.81 150 E 8.62 4.03 0.00 2.15 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 0.00 2.55 2.50 0.00 151 N 8.20 4.41 0.00 3.02 2.90 0.00 0.00 6.70 8.11 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 0.00 152 F 8.61 4.37 0.00 3.13 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 0.00 153 I 8.26 3.66 2.18 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.04 0.98 0.00 0.00 154 R 7.97 3.95 0.00 1.99 2.04 0.00 3.19 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 155 F 8.59 4.30 0.00 3.17 3.20 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 0.00 0.00 0.00 156 S 8.10 3.84 0.00 3.80 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 0.00 157 K 8.25 4.74 0.00 1.92 1.82 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.51 7.81 158 S 7.58 4.27 0.00 3.96 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 0.00 159 L 7.35 4.38 0.00 1.69 1.67 0.78 0.61 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 0.00 160 G 7.87 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.70 4.45 0.00 1.86 1.57 0.84 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 162 P 0.00 4.81 0.00 2.25 2.21 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.02 0.00 163 E 8.78 4.01 0.00 2.08 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 0.00 2.45 2.34 0.00 164 N 8.23 4.65 0.00 2.84 3.06 0.00 0.00 6.16 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 H 8.32 5.63 0.00 3.35 3.40 0.00 5.56 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.60 5.06 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 0.84 0.00 0.00 167 V 8.90 4.53 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 0.77 0.00 0.00 0.94 0.00 0.00 168 F 8.61 4.91 0.00 2.95 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 0.00 169 P 0.00 4.53 0.00 2.15 2.30 0.00 3.78 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 2.18 0.00 170 V 9.05 3.88 2.12 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 1.04 0.00 0.00 0.97 0.00 0.00 171 P 0.00 4.73 0.00 1.95 1.92 0.00 3.68 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 172 I 8.33 4.64 1.89 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 1.46 0.71 1.00 0.00 0.00 173 D 8.44 4.94 0.00 2.69 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 0.00 174 Q 7.87 4.38 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.08 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 175 C 8.87 4.27 0.00 3.14 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 0.00 176 I 7.79 4.20 2.07 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.76 1.01 0.00 0.00 177 D 8.00 4.67 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.