NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0147 8.3016 109.1326 45.6811 0.0000 174.8213 2 I 4.3231 8.1497 118.6550 59.3266 38.1184 172.0727 3 E 4.3091 9.0293 122.7148 54.7593 30.6324 173.9875 4 M 4.1243 8.4367 127.0095 54.6519 32.6978 176.4912 5 K 3.5057 8.7589 118.7694 56.2228 29.8750 171.1132 6 P 4.0395 0.0000 0.0000 63.1409 31.8460 175.8551 7 H 4.5539 8.5545 121.0696 53.8846 29.1106 172.5829 8 P 3.9546 0.0000 0.0000 61.2532 32.2027 176.6731 9 W 5.8387 8.8920 123.5388 53.9825 29.7276 174.3490 10 F 5.0448 8.2257 120.2777 57.5626 40.6586 176.1582 11 F 4.4393 8.9727 125.1091 54.6732 40.9274 173.2246 12 G 3.6465 8.7009 109.8467 46.8370 0.0000 171.5088 13 K 4.6695 8.3987 126.5428 56.5671 31.8790 174.9373 14 I 3.7335 7.6674 121.0566 61.3172 38.8302 173.6950 15 P 4.1652 0.0000 0.0000 63.5108 32.1165 176.9828 16 R 3.8427 8.7690 122.5119 60.2478 30.0769 176.9940 17 A 4.0021 8.5897 119.2655 53.7684 18.0813 179.4149 18 K 4.0595 7.9385 115.6131 59.1247 33.2644 177.6022 19 A 3.9413 8.7018 121.5174 54.8291 17.9303 178.9891 20 E 3.8824 8.5444 117.2660 59.5458 30.3144 179.2175 21 E 3.4253 9.0290 113.5750 60.6171 29.3273 179.2531 22 M 3.9597 6.7679 119.4825 59.2957 31.7481 178.5526 23 L 3.8098 7.9451 120.7281 57.4554 42.1794 178.4873 24 S 4.3170 8.6411 113.4676 60.6089 62.2196 175.7330 25 K 3.7898 7.9987 121.1894 59.1422 32.3217 177.2669 26 Q 4.0166 7.1107 118.2995 56.3780 28.6890 176.2941 27 R 4.1012 8.0188 122.3220 59.1047 31.2428 179.2991 28 H 4.6363 7.7047 120.1254 55.1736 30.4038 173.7334 29 D 4.9913 8.7210 120.6905 53.1436 41.6007 175.4623 30 G 4.7497 8.1563 110.1897 46.6344 0.0000 172.5522 31 A 5.3359 8.4571 121.8089 50.1069 21.0078 177.1043 32 F 6.0052 8.4487 115.4431 54.8569 41.5500 173.8207 33 L 4.5788 8.6260 118.3925 54.4790 44.3409 174.8214 34 I 5.1220 9.2878 122.0927 59.0811 39.0869 174.6475 35 R 5.4478 8.4220 124.4807 53.9358 31.7224 175.1257 36 E 4.2451 8.2793 124.9285 55.4523 30.8945 175.8193 37 S 4.0552 8.0317 123.5199 59.8741 63.1993 172.6995 38 E 3.3218 9.2058 118.4536 60.4464 29.2187 178.0224 39 S 4.3435 8.7443 114.1037 60.3337 64.6072 174.9126 40 A 4.1573 7.9192 121.4608 51.6310 19.9487 176.2559 41 P 4.8114 0.0000 0.0000 62.7851 30.8356 179.4265 42 G 4.1696 8.9946 103.4658 44.8717 0.0000 173.3584 43 D 4.8633 7.1546 118.6462 52.6907 43.5143 177.5240 44 F 5.1770 8.7059 122.1947 55.5573 43.2719 173.9799 45 S 5.2604 8.5333 117.9850 56.4528 65.7681 172.6938 46 L 4.8651 9.3409 127.8188 53.9142 43.1121 175.3130 47 S 5.2889 9.0868 122.2838 57.5278 65.5116 173.4714 48 V 5.5481 8.9564 121.3352 61.0193 34.7048 174.0845 49 K 4.6953 8.9819 128.7777 55.8978 31.9130 176.3338 50 F 5.0226 8.6826 134.2293 58.0696 39.9176 173.2633 51 G 3.7057 8.8971 113.2091 45.6619 0.0000 173.7729 52 N 4.6596 9.5133 122.5587 54.1504 39.3682 173.3804 53 D 4.3848 6.8616 113.8566 53.0893 42.1078 173.0663 54 V 4.5989 8.4825 119.1666 61.9120 33.0840 176.1900 55 Q 4.7518 9.3908 129.6870 54.9300 31.6105 173.6848 56 H 5.2569 8.3332 117.6149 53.8277 31.8315 172.4729 57 F 4.7381 9.3131 121.2565 55.4921 41.1468 175.2538 58 K 4.3882 8.7509 124.4721 56.2052 31.5735 177.7654 59 V 4.0520 9.3207 127.2942 62.6487 30.5262 175.4385 60 L 4.3587 8.1549 125.6197 54.1880 43.2298 176.1250 61 R 4.2658 8.0585 121.4298 54.5948 32.4436 177.1848 62 D 4.4815 8.5072 120.3499 54.9082 39.7517 174.0333 63 G 3.5122 8.9975 104.8725 45.0801 0.0000 174.0903 64 A 4.4895 7.1654 123.3135 50.7471 19.6728 176.9484 65 G 3.9345 9.1364 106.3697 46.7702 0.0000 173.3773 66 K 4.8686 8.1706 118.5546 54.7966 36.9321 174.6290 67 Y 5.0596 8.8579 117.1956 58.0232 39.2552 175.5758 68 F 4.0495 8.9859 117.1825 56.5250 41.0707 173.7245 69 L 4.3709 9.7613 125.8237 55.2905 41.9118 177.5661 70 W 4.6975 8.8149 121.4890 58.0667 31.2468 176.5817 71 V 4.3020 7.2598 113.6037 62.8037 33.4817 175.2160 72 V 3.3008 7.8941 112.0756 62.0689 32.3687 176.4754 73 K 3.7812 7.7681 123.2305 55.0290 33.9226 175.8204 74 F 4.7341 7.5012 110.4671 56.7077 40.4911 174.6984 75 N 4.9438 9.0966 120.2225 54.1748 39.3713 175.2185 76 S 4.4965 7.7318 112.8162 55.2515 65.6902 173.9554 77 L 3.4271 8.5821 127.5670 58.1483 41.2571 179.2114 78 N 4.5925 8.4535 115.5861 56.7510 38.5426 176.6850 79 E 4.0417 8.3898 120.5953 59.7850 29.5927 177.8395 80 L 3.7590 7.4472 120.5273 56.5134 41.8192 178.5263 81 V 2.9337 7.7880 120.6185 66.0452 31.8432 177.7921 82 D 4.3293 8.4915 117.8392 57.1157 40.5409 177.5105 83 Y 3.8865 8.3011 120.3716 60.4918 38.7864 176.7761 84 H 4.9787 8.4409 115.1516 55.5942 29.3883 176.1962 85 R 3.4395 7.3962 120.7396 57.3668 31.4449 176.9978 86 S 4.3541 7.6189 112.0006 60.3950 63.5228 175.2824 87 T 4.4091 6.6197 116.4930 64.4159 69.3946 175.7040 88 S 3.7719 7.9872 118.0506 59.0223 62.5186 173.9230 89 V 4.5477 7.0480 116.6706 60.3808 30.9538 174.5212 90 S 4.3876 7.2999 110.9969 58.9024 65.1504 177.3787 91 R 4.0387 8.8178 127.4733 59.0798 30.2847 177.4942 92 N 4.4899 8.0807 114.7862 56.5068 39.3142 174.1967 93 Q 4.3328 7.4691 115.0451 55.8319 31.5054 173.2765 94 Q 4.5910 8.8625 116.5534 54.5395 30.6205 175.0111 95 I 4.6710 8.3593 123.4681 59.3103 40.3346 174.5022 96 F 4.7547 8.2598 123.4137 56.4786 42.4095 173.1081 97 L 4.7760 7.6345 127.4052 53.9855 41.7789 176.2177 98 R 5.1913 9.9261 123.1332 53.9796 34.6388 174.8742 99 D 4.3784 9.0108 121.3634 54.4130 41.8954 177.9657 100 I 4.0813 7.8821 124.2613 60.5183 37.5938 175.3792 101 E 4.5764 8.5494 118.8998 54.4696 33.1112 175.0660 102 Q 4.1128 8.8573 125.9436 55.5520 29.6760 175.2175 103 V 3.5482 8.2313 124.4204 61.4160 32.3764 174.7749 104 P 4.3583 0.0000 0.0000 64.0222 31.7521 177.0729 105 Q 3.2650 6.9840 115.6196 57.3653 28.8732 174.2170 106 Q 4.4633 8.1801 115.8280 53.5296 28.9859 171.6377 107 P 4.0470 0.0000 0.0000 63.7752 31.8931 173.3588 108 T 3.0040 9.0216 126.0356 63.6647 68.3261 167.3155 109 Y 3.8870 8.2893 129.7518 57.4079 38.1259 169.4533 110 V 4.1837 8.4501 123.7800 60.3887 33.2194 172.1834 111 Q 3.0942 9.4450 130.4344 56.1317 28.9943 172.8620 112 A 4.0837 8.7051 126.4118 52.7877 18.7494 176.3501 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 G 8.30 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 2 I 8.15 4.32 1.86 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 1.29 1.10 0.90 0.00 0.00 3 E 9.03 4.31 0.00 1.94 1.84 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 2.17 2.23 0.00 4 M 8.44 4.12 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 5 K 8.76 3.51 0.00 1.75 1.76 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.41 7.81 6 P 0.00 4.04 0.00 2.03 1.99 0.00 3.67 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 2.01 2.30 0.00 7 H 8.55 4.55 0.00 3.13 3.14 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 3.95 0.00 0.49 0.79 0.00 3.46 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 1.33 1.47 0.00 9 W 8.89 5.84 0.00 3.59 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.23 5.04 0.00 3.19 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 11 F 8.97 4.44 0.00 2.94 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 12 G 8.70 3.65 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 0.00 13 K 8.40 4.67 0.00 1.95 2.24 0.00 1.48 0.00 0.00 2.37 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.40 7.81 14 I 7.67 3.73 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.75 0.98 0.00 0.00 15 P 0.00 4.17 0.00 2.21 2.02 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 16 R 8.77 3.84 0.00 1.86 1.94 0.00 3.17 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 17 A 8.59 4.00 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 18 K 7.94 4.06 0.00 1.83 1.96 0.00 1.84 0.00 0.00 1.88 0.00 0.00 3.06 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.55 1.56 7.81 19 A 8.70 3.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.54 3.88 0.00 2.03 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 0.00 2.33 2.58 0.00 21 E 9.03 3.43 0.00 2.11 1.83 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 2.47 2.51 0.00 22 M 6.77 3.96 0.00 2.27 2.37 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.95 0.00 23 L 7.95 3.81 0.00 1.52 1.98 0.94 0.90 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 24 S 8.64 4.32 0.00 3.99 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 25 K 8.00 3.79 0.00 1.94 2.03 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.54 1.53 7.81 26 Q 7.11 4.02 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.14 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 27 R 8.02 4.10 0.00 1.73 1.81 0.00 3.24 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 28 H 7.70 4.64 0.00 3.23 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.72 4.99 0.00 2.87 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 30 G 8.16 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 31 A 8.46 5.34 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.45 6.01 0.00 3.19 2.95 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 33 L 8.63 4.58 0.00 0.85 0.69 0.79 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 34 I 9.29 5.12 2.34 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.77 1.19 0.00 0.00 35 R 8.42 5.45 0.00 1.89 2.06 0.00 3.12 0.00 0.00 3.22 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.45 0.00 36 E 8.28 4.25 0.00 2.09 1.77 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 2.39 2.33 0.00 37 S 8.03 4.06 0.00 3.59 3.70 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 38 E 9.21 3.32 0.00 1.89 1.77 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 2.31 2.45 0.00 39 S 8.74 4.34 0.00 3.89 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 40 A 7.92 4.16 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.81 0.00 2.22 1.29 0.00 3.81 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 2.09 1.96 0.00 42 G 8.99 4.17 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 0.00 0.00 0.00 43 D 7.15 4.86 0.00 2.49 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.71 5.18 0.00 2.90 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 45 S 8.53 5.26 0.00 3.79 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 46 L 9.34 4.87 0.00 1.68 1.69 0.39 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 47 S 9.09 5.29 0.00 3.94 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 48 V 8.96 5.55 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 0.83 0.00 0.00 1.06 0.00 0.00 49 K 8.98 4.70 0.00 2.08 1.80 0.00 2.02 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.57 1.48 7.81 50 F 8.68 5.02 0.00 2.95 3.08 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 51 G 8.90 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.51 4.66 0.00 2.75 2.83 0.00 0.00 6.85 8.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 6.86 4.38 0.00 2.86 2.71 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 0.00 0.00 0.00 0.00 54 V 8.48 4.60 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.99 0.00 0.00 55 Q 9.39 4.75 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.08 0.00 0.00 0.00 0.00 0.00 1.30 2.02 0.00 56 H 8.33 5.26 0.00 3.10 3.12 0.00 5.55 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.31 4.74 0.00 2.94 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 58 K 8.75 4.39 0.00 1.60 1.77 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.30 7.81 59 V 9.32 4.05 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 1.34 0.00 0.00 1.04 0.00 0.00 60 L 8.15 4.36 0.00 0.69 1.15 0.71 0.60 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 61 R 8.06 4.27 0.00 1.58 1.72 0.00 2.21 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 1.33 1.44 0.00 62 D 8.51 4.48 0.00 3.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 9.00 3.51 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 0.00 0.00 0.00 64 A 7.17 4.49 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 65 G 9.14 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 66 K 8.17 4.87 0.00 1.69 2.06 0.00 1.77 0.00 0.00 2.01 0.00 0.00 3.08 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.41 1.59 7.81 67 Y 8.86 5.06 0.00 3.66 3.34 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 68 F 8.99 4.05 0.00 3.01 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 69 L 9.76 4.37 0.00 1.95 1.99 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 70 W 8.81 4.70 0.00 3.28 3.41 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 71 V 7.26 4.30 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 0.90 0.00 0.00 1.09 0.00 0.00 72 V 7.89 3.30 1.38 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 0.70 0.00 0.00 0.31 0.00 0.00 73 K 7.77 3.78 0.00 1.55 1.56 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.13 1.28 7.81 74 F 7.50 4.73 0.00 3.19 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 75 N 9.10 4.94 0.00 2.80 3.01 0.00 0.00 6.75 7.63 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 76 S 7.73 4.50 0.00 3.80 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 77 L 8.58 3.43 0.00 1.86 1.38 0.40 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.45 4.59 0.00 2.92 3.07 0.00 0.00 6.99 7.53 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 79 E 8.39 4.04 0.00 2.12 2.19 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 2.45 2.53 0.00 80 L 7.45 3.76 0.00 0.33 0.98 0.08 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.79 2.93 1.61 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 0.46 0.00 0.00 -0.89 0.00 0.00 82 D 8.49 4.33 0.00 2.85 2.79 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 83 Y 8.30 3.89 0.00 3.28 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 84 H 8.44 4.98 0.00 2.78 3.03 0.00 5.64 0.00 0.00 0.00 0.00 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.40 3.44 0.00 1.57 1.77 0.00 3.22 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.74 0.00 86 S 7.62 4.35 0.00 3.67 3.77 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 87 T 6.62 4.41 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 1.07 0.00 0.00 88 S 7.99 3.77 0.00 3.83 3.65 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 89 V 7.05 4.55 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 -0.23 0.00 0.00 90 S 7.30 4.39 0.00 3.40 3.34 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 91 R 8.82 4.04 0.00 1.82 1.96 0.00 3.28 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 92 N 8.08 4.49 0.00 3.03 3.14 0.00 0.00 6.78 7.78 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 93 Q 7.47 4.33 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.82 0.00 0.00 0.00 0.00 0.00 2.66 2.48 0.00 94 Q 8.86 4.59 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 95 I 8.36 4.67 1.79 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.82 0.86 0.00 0.00 96 F 8.26 4.75 0.00 3.06 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 97 L 7.63 4.78 0.00 0.94 0.13 0.23 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 98 R 9.93 5.19 0.00 2.02 1.92 0.00 2.92 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.80 0.00 99 D 9.01 4.38 0.00 2.74 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 0.00 100 I 7.88 4.08 1.76 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.65 0.77 0.00 0.00 101 E 8.55 4.58 0.00 1.93 1.83 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 2.39 2.49 0.00 102 Q 8.86 4.11 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 103 V 8.23 3.55 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 0.93 0.00 0.00 0.94 0.00 0.00 104 P 0.00 4.36 0.00 2.36 2.28 0.00 3.87 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 2.07 1.98 0.00 105 Q 6.98 3.27 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.05 0.00 0.00 0.00 0.00 0.00 2.33 2.67 0.00 106 Q 8.18 4.46 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.89 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 107 P 0.00 4.05 0.00 2.00 1.99 0.00 3.83 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.19 0.00 108 T 9.02 3.00 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 -0.11 0.00 0.00 109 Y 8.29 3.89 0.00 3.21 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.45 4.18 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 0.85 0.00 0.00 0.95 0.00 0.00 111 Q 9.44 3.09 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.22 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 112 A 8.71 4.08 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00