NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4358 8.2233 120.4637 53.7517 43.1154 174.1323 2 F 4.9160 8.2004 118.6735 56.7514 39.7418 170.4975 3 V 3.9069 9.6076 124.2285 62.6308 33.0216 174.4926 4 L 5.3635 8.4958 126.6830 52.9222 44.9104 176.3560 5 D 4.9335 9.0334 122.9784 52.3781 40.8248 176.7205 6 N 4.8536 9.4982 113.8460 53.7814 36.6859 175.3912 7 E 4.4792 8.5278 116.1294 56.2185 30.4978 176.6273 8 G 3.9512 8.5799 107.1602 45.6591 0.0000 173.1234 9 N 4.9216 8.5589 117.2273 50.2678 40.6284 172.7064 10 P 4.7662 0.0000 0.0000 62.3929 32.2002 176.4119 11 L 3.9689 8.6452 124.0452 55.0464 42.9217 175.7955 12 E 5.1128 9.2132 122.5615 54.4329 31.7325 175.0324 13 N 4.2631 8.9271 123.7830 56.4169 38.8921 174.9400 14 G 3.9300 9.4717 115.7407 44.8046 0.0000 173.0558 15 G 3.9337 8.3096 107.6824 46.2019 0.0000 172.7076 16 T 5.2241 7.9340 116.2725 61.9531 70.7644 173.6411 17 Y 5.1438 9.1219 123.0690 56.4651 43.1276 173.6842 18 Y 4.8760 8.9578 118.6591 57.0192 40.5599 175.3143 19 I 4.3296 8.6651 124.6996 60.0450 38.4207 174.5326 20 L 4.7919 8.5592 127.6951 53.3667 43.7068 176.3192 21 S 4.5113 8.0411 116.7587 58.1991 62.5427 173.7344 22 D 4.5117 8.7739 127.2718 57.2725 41.7837 177.0306 23 I 3.7724 7.8328 121.6561 61.9290 38.3870 177.0756 24 T 4.1708 8.4887 118.2570 62.1676 68.5252 172.7025 25 A 4.2531 7.5307 121.6236 53.0075 19.7474 176.7572 26 F 5.1321 7.3042 112.3867 55.4478 42.7332 176.0087 27 G 4.1079 8.8254 112.4749 46.4823 0.0000 172.6896 28 G 4.7477 8.7532 110.3943 44.8937 0.0000 172.9065 29 I 4.8191 8.3209 120.2216 61.3827 38.7250 176.2184 30 R 4.3958 8.8440 120.8950 55.3332 32.6046 173.0705 31 A 5.2162 7.7681 118.9991 50.7919 21.8502 175.9906 32 A 4.7331 8.7836 121.1504 49.9319 23.3062 173.7150 33 P 5.2034 0.0000 0.0000 62.5057 32.5771 175.6700 34 T 4.6945 9.1754 113.6831 59.8782 72.8215 176.7559 35 G 3.6357 8.2310 114.0920 48.0082 0.0000 175.9500 36 N 4.6611 8.8099 121.1020 51.8996 37.9090 174.4388 37 E 4.0108 7.8870 117.3332 58.2282 29.8826 177.1130 38 R 4.3998 8.5400 121.7134 56.4501 31.2496 176.2770 39 C 5.1686 7.6871 113.1999 54.6268 43.5887 173.1085 40 P 4.5631 0.0000 0.0000 62.8179 28.5752 176.0971 41 L 4.6512 8.1702 119.5431 54.6673 43.8161 175.3885 42 T 4.6312 7.9513 117.4825 61.7861 70.8453 173.9769 43 V 4.1992 7.9624 126.9731 62.4193 32.5276 175.2799 44 V 4.8718 8.6464 120.5617 59.5427 36.2207 174.1244 45 Q 4.6517 8.5868 124.1714 54.4312 30.0603 175.4056 46 S 4.2904 9.0162 122.3485 58.8462 63.2681 174.8760 47 R 4.4511 8.8194 124.2107 56.7501 30.6871 175.6966 48 N 4.6955 7.9979 120.9495 52.2732 39.0802 175.7782 49 E 4.0193 8.8653 122.9863 58.7749 29.7950 174.4848 50 L 4.2908 7.7211 114.8210 55.5001 42.5241 175.9506 51 D 4.5587 8.1311 120.7891 53.3158 41.5210 176.9777 52 K 4.1226 8.5418 126.0767 57.1092 32.7381 177.8944 53 G 4.0841 8.1593 106.4052 44.3793 0.0000 172.0946 54 I 4.2582 7.7176 119.5568 59.8579 38.2761 176.7536 55 G 3.4993 8.7895 113.6335 46.8789 0.0000 172.0779 56 T 5.2618 9.3223 121.5262 61.5822 71.7874 173.3230 57 I 4.5699 9.1239 128.1580 60.8772 38.7076 174.8065 58 I 4.8406 8.6034 128.5274 59.4627 39.4339 175.0189 59 S 5.0911 8.8869 120.7725 56.6799 66.9008 172.7505 60 S 5.0346 9.2060 115.8620 54.6236 64.1185 172.6635 61 P 4.3135 0.0000 0.0000 65.4164 31.3902 176.6191 62 Y 4.3815 6.9797 116.7474 58.2790 38.6430 177.0482 63 R 4.3140 8.2612 123.8659 55.1768 28.8597 175.6072 64 I 4.5806 7.0360 111.2792 58.8341 41.4111 176.1762 65 R 3.9334 8.1244 121.0957 57.7112 31.2402 175.8353 66 F 5.4472 7.4228 115.8777 55.4312 41.6517 175.5529 67 I 4.2709 8.5488 123.7661 61.0847 38.4894 174.9978 68 A 5.3232 8.5207 126.8197 49.5468 23.0102 175.1556 69 E 4.3785 8.5986 119.3024 57.3895 29.8803 177.4419 70 G 4.0805 8.9502 111.4896 45.8509 0.0000 173.8640 71 H 4.2519 7.4398 116.4488 54.9612 29.3501 173.4244 72 P 4.3981 0.0000 0.0000 62.8029 32.3424 175.1624 73 L 5.1596 9.1237 121.7331 53.0420 46.5935 175.1413 74 S 5.1646 9.2549 115.0558 56.6611 65.6733 172.5687 75 L 4.8959 8.3242 125.7624 52.6667 44.7154 175.2911 76 K 4.9100 8.2324 123.4308 54.7509 35.7155 175.4344 77 F 5.1603 9.4256 127.0539 57.7647 39.7804 175.0599 78 D 4.8545 9.1470 123.1488 53.3397 42.7190 175.8281 79 S 4.3590 8.6226 116.4522 58.6720 63.2256 173.8978 80 F 4.9287 7.8088 117.6976 54.8182 40.7234 173.8187 81 A 4.0918 8.5837 124.8254 52.3925 18.6053 177.5774 82 V 4.5326 7.8087 115.2360 59.1385 36.0667 175.0833 83 I 3.9258 8.0906 115.3538 60.9065 38.3889 176.8133 84 M 3.9760 8.7457 120.8466 58.6023 31.8811 178.8125 85 L 3.9211 7.9676 118.6192 57.8555 42.0257 177.9613 86 C 4.6729 8.1076 114.3571 56.3627 40.4147 173.3296 87 V 3.7933 7.4860 121.4134 63.9817 31.3947 176.0325 88 G 4.0832 8.9287 115.5040 45.3316 0.0000 174.0143 89 I 3.8795 6.8475 111.5732 60.1027 38.2257 174.2732 90 P 4.5120 0.0000 0.0000 63.1565 32.0639 176.6794 91 T 4.9788 8.5230 111.1866 61.6424 70.5513 172.7776 92 E 4.8658 8.2070 123.4511 55.7412 31.2182 175.3856 93 W 4.6138 9.0563 127.7339 57.1307 29.8190 175.7961 94 S 4.9027 9.5528 119.8725 56.7540 67.3883 172.9027 95 V 4.5279 7.9493 121.1521 61.1804 33.5911 174.2209 96 V 4.3607 8.6912 128.6891 61.4321 32.8917 175.5823 97 E 3.8539 8.5199 132.4757 59.3581 29.6321 178.9770 98 D 4.7668 7.6152 117.1710 53.1404 39.1105 177.8484 99 L 4.9129 7.2886 121.7910 52.0824 45.1808 176.5437 100 P 4.2411 0.0000 0.0000 65.8580 31.0094 176.5586 101 E 4.2575 8.0934 114.8058 55.9444 29.7388 176.9215 102 G 3.7896 7.6894 107.8138 44.3577 0.0000 171.4201 103 P 4.5777 0.0000 0.0000 62.6389 32.1872 175.9579 104 A 4.8547 8.7774 126.8088 50.1919 21.9929 175.6052 105 V 4.4331 8.3411 120.8161 62.0078 32.8654 175.0879 106 K 4.8988 9.4269 128.7538 54.9151 36.4634 174.6273 107 I 4.7100 7.8307 117.2947 58.8123 40.5765 174.8438 108 G 3.7921 8.7779 110.3570 45.0648 0.0000 171.7342 109 E 4.4873 8.5276 118.5442 55.0700 30.3883 175.5168 110 N 4.9668 8.5910 123.0955 52.0458 42.3901 175.3136 111 K 4.1689 8.8504 127.0130 58.0706 31.0873 175.7515 112 D 4.8037 7.9648 116.9311 53.3513 39.5881 177.1232 113 A 4.8368 7.6878 122.5709 52.0345 19.7482 178.3951 114 M 4.2954 8.7169 125.1366 55.8567 33.2243 176.6454 115 D 4.5439 8.7814 123.8029 52.5772 41.6290 174.8649 116 G 3.9087 7.1661 108.5511 45.4838 0.0000 171.0751 117 W 5.3236 7.3984 118.1155 54.9317 33.5827 175.2052 118 F 5.3638 8.9898 119.8473 56.8339 41.2028 175.2149 119 R 5.0378 9.2817 118.5562 54.9572 34.9067 174.0210 120 L 5.3923 8.5288 120.1191 53.1972 45.3734 175.3797 121 E 4.9047 8.9016 121.0528 54.1920 33.6757 175.1163 122 R 3.7975 9.2305 125.4751 57.1386 30.0063 176.1979 123 V 3.8543 9.3424 126.5341 64.8569 32.7840 173.6662 124 S 3.9930 8.1457 117.3723 57.9431 62.7700 174.0504 *128 F 4.2885 7.8083 123.9394 57.3742 39.6944 171.9523 129 N 4.1570 8.4749 113.7538 55.0098 34.8461 174.1875 130 N 5.1899 7.2796 115.1079 52.1338 41.9217 175.4347 131 Y 5.4092 9.3567 119.1323 56.2322 43.3274 174.0595 132 K 5.1462 8.9121 118.7288 55.2259 36.1428 175.2375 133 L 5.0127 8.5757 123.8075 54.5363 44.2178 175.2418 134 V 5.0749 8.8312 123.1525 61.3761 35.6957 173.2882 135 F 5.0683 9.6714 129.1031 56.5423 42.3833 173.4378 136 C 4.9530 8.0549 122.9157 54.2242 42.6127 172.0389 137 P 4.4834 0.0000 0.0000 62.2996 32.1035 177.7308 138 Q 4.1082 8.2608 123.7985 55.9395 26.0646 176.1801 *143 D 4.6320 8.3714 123.0695 53.2862 42.5969 177.6889 144 K 4.4151 7.7424 121.4364 53.2220 30.2381 177.2697 145 C 5.0829 8.0912 120.3264 55.1006 38.2226 173.3961 146 G 4.3393 9.1109 111.3854 44.6488 0.0000 172.9846 147 D 4.9941 8.7018 123.0072 54.2435 42.7618 175.1693 148 I 4.6863 8.7844 123.1191 60.4068 38.9872 175.1356 149 G 4.5775 9.3703 115.7207 44.8452 0.0000 170.9236 150 I 5.0039 8.3445 119.2685 59.7372 40.0764 176.2406 151 S 4.4212 8.8958 119.2386 56.3764 64.7752 172.7484 152 I 4.0729 8.2893 128.2020 61.0575 37.8025 175.4264 153 D 4.4529 9.6258 128.7461 54.5823 41.4713 176.6993 154 H 4.3422 9.3762 126.3454 58.4264 29.0933 176.4656 155 D 4.7024 8.4849 119.8049 55.6133 40.7330 183.8280 156 D 4.5188 8.1843 117.6021 53.2361 40.2718 180.2182 157 G 4.1160 8.5745 105.0518 46.3592 0.0000 174.1325 158 T 3.8750 7.3289 116.5051 63.9693 69.7460 174.0791 159 R 4.4954 8.5163 125.4315 55.0406 30.3383 174.8208 160 R 4.5752 8.3444 123.3284 55.3459 32.0070 175.6427 161 L 4.6489 8.5164 123.9994 54.6562 42.8910 176.5988 162 V 5.0474 8.9171 116.7837 59.5989 36.9274 174.4023 163 V 4.6069 8.4150 122.0756 61.0152 32.2940 175.5622 164 S 4.7601 8.9108 118.6118 56.8401 65.6844 173.7645 165 K 4.2931 8.7351 121.1432 56.8074 32.4609 176.8542 166 N 4.6927 8.1272 119.7500 52.0617 39.8712 175.2826 167 K 3.9068 8.5373 120.2855 54.7887 31.8762 171.7440 168 P 4.5930 0.0000 0.0000 61.3140 32.2479 175.4534 169 L 4.2441 8.3207 122.4340 54.9616 42.8559 176.0218 170 V 4.6593 8.4190 125.6942 61.4982 33.9269 174.7085 171 V 5.0776 9.1854 120.1349 59.7611 36.6185 174.0300 172 Q 4.7764 8.7347 118.4708 54.7624 32.4539 173.8587 173 F 5.5506 8.7689 117.7896 55.8353 42.8113 174.1857 174 Q 5.0912 9.0234 122.7006 53.9116 31.7083 174.5370 175 K 3.7319 9.1311 128.2807 56.4171 33.0110 176.1057 176 L 4.2862 7.9064 128.1630 55.3866 41.5976 176.3725 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 D 8.22 4.44 0.00 2.92 2.63 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 2 F 8.20 4.92 0.00 3.01 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 3 V 9.61 3.91 1.69 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 -0.05 0.00 0.00 0.70 0.00 0.00 4 L 8.50 5.36 0.00 1.72 1.60 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 5 D 9.03 4.93 0.00 3.26 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 6 N 9.50 4.85 0.00 2.86 3.05 0.00 0.00 6.84 8.28 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 7 E 8.53 4.48 0.00 2.16 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 2.25 2.33 0.00 8 G 8.58 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 9 N 8.56 4.92 0.00 2.97 2.68 0.00 0.00 7.03 7.58 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 10 P 0.00 4.77 0.00 1.02 1.33 0.00 3.35 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.73 0.00 11 L 8.65 3.97 0.00 1.24 1.18 0.36 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 12 E 9.21 5.11 0.00 2.01 1.90 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 0.00 2.46 2.41 0.00 13 N 8.93 4.26 0.00 2.64 2.68 0.00 0.00 7.51 7.84 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 14 G 9.47 3.93 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 0.00 15 G 8.31 3.93 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 0.00 16 T 7.93 5.22 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 1.11 0.00 0.00 17 Y 9.12 5.14 0.00 2.95 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 18 Y 8.96 4.88 0.00 3.06 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 19 I 8.67 4.33 2.08 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.49 0.89 0.00 0.00 20 L 8.56 4.79 0.00 1.62 1.60 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.04 4.51 0.00 4.32 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 22 D 8.77 4.51 0.00 2.73 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 23 I 7.83 3.77 2.14 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 1.20 1.06 0.00 0.00 24 T 8.49 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 1.21 0.00 0.00 25 A 7.53 4.25 0.73 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 26 F 7.30 5.13 0.00 3.13 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 27 G 8.83 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 28 G 8.75 4.75 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 29 I 8.32 4.82 2.25 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 1.77 1.33 1.02 0.00 0.00 30 R 8.84 4.40 0.00 1.46 1.83 0.00 2.65 0.00 0.00 3.06 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 31 A 7.77 5.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.78 4.73 1.16 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 33 P 0.00 5.20 0.00 2.07 2.24 0.00 3.45 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 34 T 9.18 4.69 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 35 G 8.23 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 0.00 0.00 0.00 36 N 8.81 4.66 0.00 2.75 2.72 0.00 0.00 6.52 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 37 E 7.89 4.01 0.00 2.25 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 2.27 0.00 38 R 8.54 4.40 0.00 1.74 1.93 0.00 3.23 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 39 C 7.69 5.17 0.00 2.98 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 40 P 0.00 4.56 0.00 2.27 2.10 0.00 3.73 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 2.23 2.19 0.00 41 L 8.17 4.65 0.00 1.89 1.83 0.94 0.75 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 42 T 7.95 4.63 4.35 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 1.15 0.00 0.00 43 V 7.96 4.20 1.71 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 0.04 0.00 0.00 0.09 0.00 0.00 44 V 8.65 4.87 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 0.58 0.00 0.00 0.90 0.00 0.00 45 Q 8.59 4.65 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 46 S 9.02 4.29 0.00 4.03 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 0.00 47 R 8.82 4.45 0.00 1.88 2.04 0.00 3.32 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 48 N 8.00 4.70 0.00 2.71 2.71 0.00 0.00 7.19 8.51 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 49 E 8.87 4.02 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.92 0.00 50 L 7.72 4.29 0.00 1.60 1.71 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.13 4.56 0.00 2.90 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 52 K 8.54 4.12 0.00 1.40 0.97 0.00 0.81 0.00 0.00 1.51 0.00 0.00 2.68 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.17 1.19 7.81 53 G 8.16 4.08 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 0.00 54 I 7.72 4.26 0.99 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 0.72 0.21 0.79 0.00 0.00 55 G 8.79 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 56 T 9.32 5.26 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 0.81 0.00 0.00 57 I 9.12 4.57 1.94 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 1.22 0.57 0.94 0.00 0.00 58 I 8.60 4.84 1.70 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.72 0.64 0.00 0.00 59 S 8.89 5.09 0.00 3.88 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 60 S 9.21 5.03 0.00 3.63 3.56 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 61 P 0.00 4.31 0.00 2.09 2.06 0.00 3.26 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.57 0.00 62 Y 6.98 4.38 0.00 2.67 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 63 R 8.26 4.31 0.00 2.01 1.86 0.00 3.26 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.18 0.00 64 I 7.04 4.58 1.88 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 1.25 0.70 0.93 0.00 0.00 65 R 8.12 3.93 0.00 1.58 1.03 0.00 3.24 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.22 0.00 66 F 7.42 5.45 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.55 4.27 1.71 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.65 0.77 0.00 0.00 68 A 8.52 5.32 1.18 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 0.00 0.00 0.00 69 E 8.60 4.38 0.00 1.94 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 0.00 2.49 2.55 0.00 70 G 8.95 4.08 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 0.00 71 H 7.44 4.25 0.00 3.20 3.01 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.40 0.00 0.49 1.42 0.00 2.40 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.87 0.00 73 L 9.12 5.16 0.00 1.65 1.51 0.83 0.67 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 74 S 9.25 5.16 0.00 4.12 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 75 L 8.32 4.90 0.00 0.27 0.13 -0.66 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.23 4.91 0.00 1.75 1.57 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.48 7.81 77 F 9.43 5.16 0.00 3.22 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 78 D 9.15 4.85 0.00 2.78 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 79 S 8.62 4.36 0.00 3.94 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 0.00 80 F 7.81 4.93 0.00 3.06 2.90 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 0.00 0.00 0.00 0.00 81 A 8.58 4.09 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 82 V 7.81 4.53 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 0.40 0.00 0.00 0.80 0.00 0.00 83 I 8.09 3.93 1.86 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 0.78 0.91 0.00 0.00 84 M 8.75 3.98 0.00 2.05 2.16 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 2.68 2.48 0.00 85 L 7.97 3.92 0.00 1.57 1.71 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.11 4.67 0.00 3.10 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 87 V 7.49 3.79 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 0.70 0.00 0.00 0.96 0.00 0.00 88 G 8.93 4.08 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 0.00 89 I 6.85 3.88 1.91 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 1.52 0.66 0.92 0.00 0.00 90 P 0.00 4.51 0.00 2.26 2.05 0.00 3.50 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 2.14 2.10 0.00 91 T 8.52 4.98 4.72 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 1.49 0.00 0.00 92 E 8.21 4.87 0.00 2.15 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 2.43 2.59 0.00 93 W 9.06 4.61 0.00 2.99 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 94 S 9.55 4.90 0.00 3.79 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 95 V 7.95 4.53 1.03 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 0.68 0.00 0.00 -0.31 0.00 0.00 96 V 8.69 4.36 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 0.84 0.00 0.00 0.89 0.00 0.00 97 E 8.52 3.85 0.00 2.12 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 2.31 2.25 0.00 98 D 7.62 4.77 0.00 2.74 2.50 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 99 L 7.29 4.91 0.00 1.82 1.66 1.00 0.93 0.00 0.00 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0.00 0.00 0.00 1.23 1.37 1.01 0.00 0.00 108 G 8.78 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 0.00 0.00 0.00 0.00 109 E 8.53 4.49 0.00 1.98 1.91 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 2.27 2.33 0.00 110 N 8.59 4.97 0.00 2.61 2.66 0.00 0.00 7.05 7.61 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 0.00 111 K 8.85 4.17 0.00 1.68 1.81 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.00 7.81 112 D 7.96 4.80 0.00 2.60 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.69 4.84 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 0.00 114 M 8.72 4.30 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.49 0.00 115 D 8.78 4.54 0.00 2.37 2.54 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 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3.95 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 *128 F 7.81 4.29 0.00 2.32 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 0.00 0.00 0.00 0.00 129 N 8.47 4.16 0.00 2.97 3.20 0.00 0.00 6.87 8.00 0.00 0.00 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 N 7.28 5.19 0.00 2.54 2.64 0.00 0.00 6.73 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 0.00 131 Y 9.36 5.41 0.00 3.05 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.91 5.15 0.00 1.89 1.93 0.00 1.35 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.44 7.81 133 L 8.58 5.01 0.00 1.97 1.80 1.08 0.93 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 0.00 134 V 8.83 5.07 2.33 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 1.01 0.00 0.00 1.06 0.00 0.00 135 F 9.67 5.07 0.00 2.92 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 0.00 136 C 8.05 4.95 0.00 2.61 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 0.00 137 P 0.00 4.48 0.00 1.92 2.06 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.31 0.00 138 Q 8.26 4.11 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 *143 D 8.37 4.63 0.00 2.72 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 0.00 144 K 7.74 4.42 0.00 1.77 1.65 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.32 1.02 7.81 145 C 8.09 5.08 0.00 2.85 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 0.00 146 G 9.11 4.34 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 0.00 147 D 8.70 4.99 0.00 2.92 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.78 4.69 2.15 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.65 1.09 0.00 0.00 149 G 9.37 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 I 8.34 5.00 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.80 0.80 0.00 0.00 151 S 8.90 4.42 0.00 3.81 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.29 4.07 1.88 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 1.19 0.60 0.90 0.00 0.00 153 D 9.63 4.45 0.00 2.72 2.64 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 0.00 154 H 9.38 4.34 0.00 3.12 3.36 0.00 5.92 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 D 8.48 4.70 0.00 2.70 2.55 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 0.00 156 D 8.18 4.52 0.00 2.60 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 0.00 157 G 8.57 4.12 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 0.00 0.00 0.00 158 T 7.33 3.87 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 1.17 0.00 0.00 159 R 8.52 4.50 0.00 1.77 1.70 0.00 2.90 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 160 R 8.34 4.58 0.00 1.80 1.78 0.00 3.08 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 161 L 8.52 4.65 0.00 1.44 1.54 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 162 V 8.92 5.05 2.17 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 0.82 0.00 0.00 0.92 0.00 0.00 163 V 8.41 4.61 2.16 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 0.66 0.00 0.00 0.99 0.00 0.00 164 S 8.91 4.76 0.00 3.84 3.72 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 0.00 165 K 8.74 4.29 0.00 2.05 1.84 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.02 7.81 166 N 8.13 4.69 0.00 2.71 2.79 0.00 0.00 6.79 8.30 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 0.00 167 K 8.54 3.91 0.00 1.77 1.63 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.02 7.81 168 P 0.00 4.59 0.00 2.22 2.27 0.00 3.75 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 1.98 0.00 169 L 8.32 4.24 0.00 1.69 1.81 0.91 0.75 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 0.00 170 V 8.42 4.66 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 0.94 0.00 0.00 1.00 0.00 0.00 171 V 9.19 5.08 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 0.74 0.00 0.00 0.72 0.00 0.00 172 Q 8.73 4.78 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 173 F 8.77 5.55 0.00 2.97 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 Q 9.02 5.09 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 175 K 9.13 3.73 0.00 1.89 1.75 0.00 1.33 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.37 1.31 7.81 176 L 7.91 4.29 0.00 1.48 1.32 0.38 0.61 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 * Residues marked with a * may have inaccurate shift predictions.