NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 H 4.7911 8.4449 120.3867 55.9941 29.9733 172.1555 13 Q 4.1722 7.7703 124.9255 52.7809 32.3082 174.1097 14 A 4.2209 8.4505 125.5392 52.0209 19.8987 177.0249 15 I 3.7734 8.1920 114.0932 61.1819 38.2377 176.1470 16 S 4.6024 8.2377 116.0276 56.7916 64.6199 173.3260 17 P 4.2798 0.0000 0.0000 65.7197 30.7891 179.0446 18 R 3.8378 7.8724 117.0319 59.8858 30.2608 178.3229 19 T 3.8998 7.6681 115.4454 66.8477 68.4354 176.5371 20 L 4.1265 8.0526 120.7180 57.6175 41.6676 178.6175 21 N 4.1878 8.6232 117.3561 56.9236 38.7643 176.2874 22 A 3.9982 7.7307 121.8480 55.2745 18.4781 179.4264 23 W 4.3525 8.2691 126.4951 60.5654 30.6513 178.0829 24 V 3.2683 8.3587 118.5205 66.1231 31.0511 178.1525 25 K 3.7930 8.5458 118.3013 59.2995 31.7652 179.6596 26 V 3.4912 7.8130 118.6668 66.0343 31.2970 178.3833 27 V 2.9117 6.8974 116.5116 65.4128 31.2231 176.9105 28 E 3.8571 7.7934 118.8236 58.7921 29.3870 177.5820 29 E 4.3925 7.4342 116.1388 56.3044 31.4601 176.1559 30 K 4.3378 8.4059 118.6530 55.9460 32.6351 176.8501 31 A 3.2822 7.3788 123.0542 52.6205 16.7432 177.7431 32 F 4.3138 8.2271 121.7275 59.1245 36.0331 175.6624 33 S 4.8078 7.5547 114.2910 56.2401 64.9944 173.1375 34 P 4.3766 0.0000 0.0000 65.7332 30.6388 178.4784 35 E 4.2201 8.0867 117.1371 58.4018 29.2492 179.3055 36 V 3.8010 7.8233 119.4814 64.6304 31.3141 178.6310 37 I 3.8606 7.7850 120.1131 64.0350 37.0841 176.4090 38 P 4.3414 0.0000 0.0000 65.9591 31.1374 178.6096 39 M 4.1364 7.9814 117.2781 58.4086 32.0142 178.4536 40 F 3.8727 8.8346 121.1840 61.4526 39.2618 177.4190 41 S 3.8955 8.0923 113.6811 61.2557 62.8443 176.1785 42 A 4.2277 7.9723 123.5816 55.1536 17.9721 179.5651 43 L 4.0819 7.7253 115.9474 56.3910 41.9630 178.6487 44 S 4.4219 7.0119 113.2244 56.7114 63.1911 173.3685 45 E 3.9969 7.2659 122.3455 58.2039 29.3877 177.1027 46 G 3.8136 8.7201 111.2372 46.3226 0.0000 173.1279 47 A 4.2024 7.5083 122.3481 51.3370 19.4107 178.6862 48 T 4.2645 8.3639 112.3651 60.3723 71.2136 174.2867 49 P 4.4600 0.0000 0.0000 66.0721 31.2241 178.4176 50 Q 4.0112 8.5730 118.1285 59.5195 28.8454 178.5274 51 D 4.3276 8.0223 119.0869 57.3872 40.9187 178.4127 52 L 3.8932 8.0187 119.5188 58.3246 41.6654 179.5713 53 N 4.5545 8.6599 116.2682 56.3532 38.3203 177.7047 54 T 3.9860 8.2465 117.8870 66.7083 68.2733 176.4845 55 M 4.1702 7.9805 119.6675 58.5539 32.3307 178.4911 56 L 4.3976 8.0894 118.9605 58.0766 41.5985 179.3555 57 N 4.4840 8.6801 115.9585 56.4160 38.5526 177.0206 58 T 4.2029 7.7202 109.6706 62.3544 69.1377 174.8846 59 V 3.6368 7.5119 123.2908 62.7390 31.9354 175.1963 60 G 4.1030 8.5708 116.2196 44.6679 0.0000 175.2360 61 G 3.7469 8.8597 109.7409 44.0854 0.0000 173.3300 62 H 4.0954 8.7403 112.1099 56.2934 26.8167 176.8599 63 Q 4.0365 8.4632 118.9358 59.4655 28.5779 178.4981 64 A 4.0445 8.0727 120.7641 54.9862 18.5235 179.4039 65 A 3.9910 8.0365 118.9241 55.6031 18.5406 179.6035 66 M 4.0355 8.1414 117.2933 58.5839 31.9416 178.7921 67 Q 4.0852 8.2525 119.7359 59.4125 29.1978 178.2071 68 M 4.0655 8.0749 119.9070 58.0519 31.9203 178.5482 69 L 3.8896 7.9515 120.5425 58.0693 42.2525 178.8957 70 K 3.9321 8.4603 118.7829 59.7116 32.0405 178.8020 71 E 3.9388 8.4898 118.9084 59.8641 29.4282 179.4625 72 T 3.8378 7.8671 115.4139 66.8810 68.5326 176.5118 73 I 3.8422 7.8976 121.3617 64.6271 37.1672 178.2968 74 N 4.3258 8.4370 117.4819 56.2416 38.3906 177.4052 75 E 3.8506 8.1366 119.9283 59.3909 29.5000 179.2440 76 E 3.4722 8.2854 118.6841 59.0499 29.3315 179.2781 77 A 3.2939 7.5773 120.8162 54.9367 18.4274 179.5052 78 A 3.9444 7.7910 119.2463 55.2513 18.3553 179.5221 79 E 3.8506 7.9257 117.8486 58.9128 29.4548 178.7810 80 W 4.1120 7.9859 127.7830 60.6305 31.1269 177.2389 81 D 4.6371 8.2447 118.7822 57.4618 40.0638 178.6136 82 R 3.8494 7.6923 117.8547 59.4824 30.1571 177.7559 83 L 4.2993 7.3789 114.7795 54.8473 43.1759 177.3130 84 H 4.6821 7.5234 116.0413 52.4937 29.7027 170.6219 85 P 4.2478 0.0000 0.0000 63.0086 31.8149 177.4046 86 V 3.8702 8.2413 114.9504 60.3941 32.3568 176.1237 87 A 4.0664 8.4830 127.3312 52.1390 18.9226 176.9819 88 A 4.2456 8.1815 123.8815 52.2672 19.5928 176.7221 89 G 4.1049 8.5703 106.2916 43.2986 0.0000 172.1099 90 P 4.5397 0.0000 0.0000 61.7348 32.3499 176.2578 91 I 3.8446 8.1752 121.7920 61.0407 37.8611 176.1611 92 A 4.2588 8.4269 127.7758 51.0121 19.1033 175.0425 93 P 4.4456 0.0000 0.0000 63.7509 31.8832 176.5886 94 G 4.0088 8.7942 108.0462 46.3835 0.0000 172.8838 95 Q 4.7835 7.8951 116.6092 53.7877 32.1427 174.4785 96 M 4.8642 8.2406 117.8690 53.1352 35.2410 175.3579 97 R 4.2045 8.6093 120.5774 56.1951 30.1638 176.3267 98 E 4.2022 8.5967 119.5915 55.5113 30.1904 175.3977 99 P 3.9275 0.0000 0.0000 62.5912 32.1173 175.7276 100 R 4.6715 9.2525 119.7179 54.1288 32.9052 177.5931 101 G 4.0210 9.7916 106.2683 48.6218 0.0000 176.1191 102 S 4.2103 8.0599 115.9251 60.4822 62.9382 175.9194 103 D 4.3705 8.3331 123.5431 57.1986 40.4887 178.6661 104 I 3.3930 7.2433 118.7296 63.6887 37.1966 177.3125 105 A 2.6728 7.6891 119.0472 51.4298 18.5182 178.0564 106 G 3.8535 7.3173 105.4798 45.7172 0.0000 174.8236 107 T 4.3271 7.9009 110.4856 62.4654 69.5132 175.7020 108 T 4.7123 7.8164 110.0832 60.9369 69.7968 173.1478 109 S 5.0516 7.9950 115.7322 56.8266 65.6222 172.6086 110 T 4.5307 8.2670 111.8520 60.1908 71.6954 175.5925 111 L 3.7024 7.9956 124.7716 58.2266 42.6434 179.2328 112 Q 3.9302 8.0013 117.1591 59.3841 28.4718 178.4395 113 E 3.2555 7.2462 120.7813 58.7923 29.3260 179.2078 114 Q 4.2739 9.0843 118.2224 59.2567 28.5673 179.0782 115 I 3.7523 8.5817 121.8401 64.3018 37.0341 178.5949 116 G 3.6693 8.3840 106.8349 47.6881 0.0000 175.7024 117 W 4.2904 7.8391 121.3008 59.8231 28.8930 178.4462 118 M 3.9792 8.2070 117.9611 56.8780 31.4551 177.2462 119 T 4.3489 7.2586 106.8999 62.7438 70.5615 175.0143 120 H 4.0688 8.3179 119.4836 56.0486 29.4148 173.7272 121 N 5.0441 8.4684 118.4015 50.8762 39.6980 173.2552 122 P 4.5680 0.0000 0.0000 61.5459 32.5319 173.6367 123 P 5.3661 0.0000 0.0000 61.2697 33.4656 174.9851 124 I 4.4326 9.3061 121.4486 59.1439 39.6472 173.6795 125 P 4.8367 0.0000 0.0000 61.4381 30.0801 176.8388 126 V 3.3626 8.0788 122.4383 64.5097 31.7605 177.9972 127 G 3.6340 7.7758 106.7911 47.3745 0.0000 175.5403 128 E 3.9347 8.0285 121.0966 58.8859 29.5640 179.3873 129 I 3.3471 7.7315 120.0613 64.2857 37.1116 177.4834 130 Y 3.4031 7.1454 120.0835 60.6912 38.5229 178.2199 131 K 3.7753 7.9084 120.1428 59.5528 32.1243 178.5922 132 R 3.9189 7.7966 118.8984 59.1690 30.0659 178.3695 133 W 4.5259 7.8833 118.4156 60.0716 29.1021 178.5273 134 I 3.6511 7.9323 119.5457 64.5500 36.4510 178.6521 135 I 3.8611 7.8828 120.5683 64.2105 36.8326 178.5714 136 L 4.1172 8.2057 120.2708 57.5238 41.4239 179.6308 137 G 3.5841 8.1119 105.6994 47.9556 0.0000 175.7397 138 L 3.9111 8.3236 122.1400 57.4443 41.5158 179.4368 139 N 4.3609 8.4643 116.7144 56.0488 38.2826 177.3827 140 K 3.9501 7.9878 121.2786 59.2750 32.1726 178.9855 141 I 3.7226 7.6303 120.1647 64.4336 37.0220 178.3993 142 V 3.6681 8.0168 119.3347 66.2612 31.1005 178.0131 143 R 3.9167 8.0200 117.2592 59.3724 29.8949 178.0387 144 M 4.0459 7.5290 117.5344 58.7975 32.4637 177.4137 145 Y 4.2707 8.2327 114.8004 59.1790 38.4235 175.8280 146 S 4.3814 8.2419 120.3060 58.6004 63.7300 173.6340 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 12 H 8.44 4.79 0.00 3.12 3.33 0.00 5.64 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 13 Q 7.77 4.17 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.78 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 14 A 8.45 4.22 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.19 3.77 1.84 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 1.35 0.90 0.84 0.00 0.00 16 S 8.24 4.60 0.00 4.10 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 17 P 0.00 4.28 0.00 2.18 2.16 0.00 3.60 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 2.12 2.16 0.00 18 R 7.87 3.84 0.00 1.88 1.92 0.00 3.20 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 19 T 7.67 3.90 4.39 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 1.18 0.00 0.00 20 L 8.05 4.13 0.00 1.94 1.81 0.97 0.39 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 21 N 8.62 4.19 0.00 2.73 3.02 0.00 0.00 7.09 7.59 0.00 0.00 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 A 7.73 4.00 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 23 W 8.27 4.35 0.00 3.41 3.31 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 24 V 8.36 3.27 2.18 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 0.98 0.00 0.00 0.93 0.00 0.00 25 K 8.55 3.79 0.00 1.84 1.80 0.00 1.69 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.70 1.58 7.81 26 V 7.81 3.49 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 0.92 0.00 0.00 1.08 0.00 0.00 27 V 6.90 2.91 1.51 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 0.14 0.00 0.00 -0.68 0.00 0.00 28 E 7.79 3.86 0.00 2.02 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 2.25 2.24 0.00 29 E 7.43 4.39 0.00 2.01 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 2.18 2.30 0.00 30 K 8.41 4.34 0.00 1.73 1.73 0.00 1.95 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.47 7.81 31 A 7.38 3.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.23 4.31 0.00 3.03 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 33 S 7.55 4.81 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.38 0.00 2.22 2.20 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 35 E 8.09 4.22 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 2.36 2.34 0.00 36 V 7.82 3.80 2.35 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 1.25 0.00 0.00 1.06 0.00 0.00 37 I 7.78 3.86 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.95 0.99 0.00 0.00 38 P 0.00 4.34 0.00 2.21 2.15 0.00 3.83 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 2.17 2.23 0.00 39 M 7.98 4.14 0.00 2.23 2.52 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.88 0.00 40 F 8.83 3.87 0.00 3.17 3.27 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 41 S 8.09 3.90 0.00 4.02 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 42 A 7.97 4.23 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.73 4.08 0.00 1.39 1.65 1.11 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.01 4.42 0.00 3.46 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 45 E 7.27 4.00 0.00 1.87 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 2.27 2.38 0.00 46 G 8.72 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 0.00 0.00 0.00 47 A 7.51 4.20 1.17 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 48 T 8.36 4.26 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 1.16 0.00 0.00 49 P 0.00 4.46 0.00 2.29 2.27 0.00 3.98 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 2.09 2.14 0.00 50 Q 8.57 4.01 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 51 D 8.02 4.33 0.00 2.88 2.65 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 52 L 8.02 3.89 0.00 1.85 1.53 0.93 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.66 4.55 0.00 2.95 2.96 0.00 0.00 7.05 7.33 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 54 T 8.25 3.99 4.48 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 0.00 0.00 0.00 1.25 0.00 0.00 55 M 7.98 4.17 0.00 1.43 2.17 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.33 0.00 56 L 8.09 4.40 0.00 1.80 1.83 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.68 4.48 0.00 2.93 2.95 0.00 0.00 7.10 7.55 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 58 T 7.72 4.20 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 59 V 7.51 3.64 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.98 0.00 0.00 60 G 8.57 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 0.00 0.00 0.00 61 G 8.86 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 62 H 8.74 4.10 0.00 3.42 3.50 0.00 5.84 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.46 4.04 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 64 A 8.07 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.04 3.99 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 66 M 8.14 4.04 0.00 2.11 2.30 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 2.70 2.80 0.00 67 Q 8.25 4.09 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 68 M 8.07 4.07 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.55 0.00 69 L 7.95 3.89 0.00 1.69 1.83 0.87 0.48 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 70 K 8.46 3.93 0.00 1.96 1.89 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.71 7.81 71 E 8.49 3.94 0.00 2.09 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 0.00 2.34 2.65 0.00 72 T 7.87 3.84 4.43 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 0.00 0.00 0.00 1.28 0.00 0.00 73 I 7.90 3.84 2.13 0.00 0.00 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 1.94 0.87 1.22 0.00 0.00 74 N 8.44 4.33 0.00 2.84 2.83 0.00 0.00 7.08 8.36 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 75 E 8.14 3.85 0.00 2.05 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 2.28 2.41 0.00 76 E 8.29 3.47 0.00 1.16 1.12 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 2.27 2.25 0.00 77 A 7.58 3.29 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 78 A 7.79 3.94 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 79 E 7.93 3.85 0.00 2.04 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 2.27 2.35 0.00 80 W 7.99 4.11 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 81 D 8.24 4.64 0.00 3.01 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 82 R 7.69 3.85 0.00 1.96 2.07 0.00 3.22 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 83 L 7.38 4.30 0.00 1.35 1.29 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 84 H 7.52 4.68 0.00 2.82 3.02 0.00 5.87 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.25 0.00 2.15 2.05 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 86 V 8.24 3.87 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 0.74 0.00 0.00 0.95 0.00 0.00 87 A 8.48 4.07 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.18 4.25 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.57 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 0.00 0.00 0.00 90 P 0.00 4.54 0.00 2.20 2.07 0.00 3.78 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 1.99 1.99 0.00 91 I 8.18 3.84 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.85 0.95 0.00 0.00 92 A 8.43 4.26 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 93 P 0.00 4.45 0.00 2.05 2.00 0.00 3.84 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 2.03 2.09 0.00 94 G 8.79 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 95 Q 7.90 4.78 0.00 2.35 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 96 M 8.24 4.86 0.00 2.07 1.82 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 97 R 8.61 4.20 0.00 2.07 2.04 0.00 3.22 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 98 E 8.60 4.20 0.00 2.02 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 2.37 2.28 0.00 99 P 0.00 3.93 0.00 1.38 0.49 0.00 3.51 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.27 0.00 100 R 9.25 4.67 0.00 1.91 1.92 0.00 3.37 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 101 G 9.79 4.02 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 0.00 0.00 0.00 102 S 8.06 4.21 0.00 4.06 4.14 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 0.00 103 D 8.33 4.37 0.00 2.77 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.24 3.39 1.59 0.00 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.21 -0.16 0.00 0.00 105 A 7.69 2.67 1.07 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 0.00 0.00 106 G 7.32 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 0.00 0.00 0.00 107 T 7.90 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 1.24 0.00 0.00 108 T 7.82 4.71 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 109 S 7.99 5.05 0.00 4.15 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 0.00 110 T 8.27 4.53 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 1.25 0.00 0.00 111 L 8.00 3.70 0.00 1.75 1.63 0.70 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 8.00 3.93 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 113 E 7.25 3.26 0.00 2.00 1.12 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 1.81 2.07 0.00 114 Q 9.08 4.27 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.69 0.00 115 I 8.58 3.75 2.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.07 0.86 0.00 0.00 116 G 8.38 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 0.00 117 W 7.84 4.29 0.00 3.53 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 0.00 118 M 8.21 3.98 0.00 1.97 2.15 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 2.68 2.41 0.00 119 T 7.26 4.35 4.26 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 1.22 0.00 0.00 120 H 8.32 4.07 0.00 3.32 3.47 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.47 5.04 0.00 2.69 2.75 0.00 0.00 6.98 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.57 0.00 2.22 2.09 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 123 P 0.00 5.37 0.00 2.22 2.22 0.00 3.35 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.86 0.00 124 I 9.31 4.43 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.95 0.79 0.00 0.00 125 P 0.00 4.84 0.00 2.07 2.19 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 126 V 8.08 3.36 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 0.42 0.00 0.00 1.00 0.00 0.00 127 G 7.78 3.63 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 0.00 0.00 0.00 128 E 8.03 3.93 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 129 I 7.73 3.35 1.36 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.09 0.02 0.00 0.00 130 Y 7.15 3.40 0.00 2.78 2.68 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 0.00 131 K 7.91 3.78 0.00 1.77 1.95 0.00 1.42 0.00 0.00 1.44 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.55 7.81 132 R 7.80 3.92 0.00 2.18 2.04 0.00 3.23 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 133 W 7.88 4.53 0.00 3.65 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 0.00 134 I 7.93 3.65 1.81 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.29 0.19 0.00 0.00 135 I 7.88 3.86 2.05 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 1.65 0.83 0.96 0.00 0.00 136 L 8.21 4.12 0.00 1.95 1.75 1.03 0.80 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 0.00 137 G 8.11 3.58 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 0.00 138 L 8.32 3.91 0.00 1.73 1.74 0.56 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.46 4.36 0.00 2.89 2.88 0.00 0.00 6.60 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 0.00 140 K 7.99 3.95 0.00 1.83 1.93 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.46 7.81 141 I 7.63 3.72 1.61 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.48 -0.15 0.00 0.00 142 V 8.02 3.67 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 1.09 0.00 0.00 1.15 0.00 0.00 143 R 8.02 3.92 0.00 2.08 1.94 0.00 3.31 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 144 M 7.53 4.05 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.03 0.00 145 Y 8.23 4.27 0.00 3.05 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 0.00 146 S 8.24 4.38 0.00 4.01 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