NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.4179 8.4449 120.3127 56.1142 30.9804 172.8880 2 C 4.7834 7.6836 119.5556 53.6431 38.5422 171.5306 3 P 4.4424 0.0000 0.0000 62.5696 32.4181 175.9341 4 S 4.3903 8.3541 115.3908 60.2079 63.1167 175.1685 5 D 4.6904 8.8338 121.8788 54.2340 38.7948 174.1144 6 W 5.0425 7.9170 118.3879 55.6832 30.9189 175.3046 7 Y 4.8613 9.7248 121.0739 56.7606 39.9679 173.9933 8 Y 5.3580 8.8303 124.0522 56.2544 41.0315 173.7999 9 Y 4.3183 8.2844 127.1311 56.5916 43.4285 174.8172 10 D 3.6330 7.6148 125.3877 55.3969 41.2733 173.8967 11 Q 4.5684 5.7400 109.9545 54.6009 30.0392 173.9041 12 H 5.0397 8.2913 115.5853 54.1490 33.5717 171.4351 13 C 5.8641 8.7742 116.7793 55.7099 40.0688 173.2391 14 Y 6.0422 9.4492 120.1773 55.8014 42.1444 174.5593 15 R 4.3955 8.2465 116.9850 55.5625 33.3499 172.8217 16 I 4.5046 8.0232 126.5892 59.5473 39.6380 174.2810 17 F 4.2596 8.5114 128.3480 55.0649 40.9116 176.0571 18 N 4.9057 8.3988 122.8230 53.7724 39.0784 174.9338 19 E 4.5433 7.5366 117.6956 54.2658 31.5875 175.4629 20 E 4.0346 8.5636 124.0767 56.6899 30.0715 176.1908 21 M 4.9396 8.8681 123.3491 53.7935 37.2987 174.2428 22 N 5.6699 8.5868 118.0452 51.5067 39.3479 175.6790 23 W 4.1196 8.5180 129.1445 60.9964 30.5504 177.9190 24 E 4.1676 8.5193 117.4277 59.8733 29.0657 179.1054 25 D 4.5229 8.1664 117.9820 57.1450 40.8464 178.6130 26 A 2.8594 7.9710 121.7177 54.7428 18.2526 179.2386 27 E 3.5699 7.7629 118.0702 58.9261 29.3415 178.8715 28 W 4.2541 8.1244 127.5144 60.4304 31.1267 177.1465 29 F 3.8582 8.5281 121.0173 61.6727 38.7655 176.2265 30 C 4.2534 8.6457 116.4332 60.5442 38.3481 176.5027 31 T 3.8535 7.7878 112.1625 64.0664 67.9647 176.4993 32 K 4.0539 7.4873 120.4899 58.8356 32.0454 178.3660 33 Q 3.7957 7.3720 117.7004 58.6037 29.0342 175.8634 34 A 4.0030 6.7506 118.4910 50.7929 22.3550 175.3684 35 K 4.0468 8.2874 119.6030 57.7481 32.3876 178.1477 36 G 3.9045 8.8348 110.0047 45.7817 0.0000 173.5910 37 A 4.5727 7.4916 122.7370 52.6753 19.1076 176.5284 38 H 4.7623 8.7972 116.7742 54.5200 34.1860 172.9977 39 L 4.5993 9.1406 120.4425 54.6681 42.0614 178.2566 40 V 4.0184 8.8964 122.6843 62.3885 32.4396 175.2830 41 S 4.8726 8.6970 116.2402 56.5288 65.4211 173.3439 42 I 4.6302 8.3412 124.5151 60.2212 37.7285 175.3193 43 K 4.7131 9.5462 124.9972 55.5246 32.7836 176.7566 44 S 4.6581 7.6858 111.8491 56.4992 66.1893 176.5222 45 A 4.0319 8.3671 125.2543 55.3837 18.0932 180.3527 46 K 3.9458 8.0580 116.4454 59.7554 32.2392 179.0549 47 E 3.8379 8.3683 119.0901 58.9654 29.5298 178.6038 48 A 4.1111 8.7068 121.3890 55.2029 18.4026 179.0705 49 D 4.2606 8.5732 116.9160 57.3821 41.2455 178.2389 50 F 3.8570 7.9306 121.3235 61.1838 39.2499 177.4626 51 V 3.1021 8.0468 118.9821 64.4531 31.0504 178.1772 52 A 3.9039 8.0519 121.3958 54.6001 18.4258 179.1724 53 W 3.9411 8.2550 127.2701 60.8516 30.2787 177.7802 54 M 2.9695 7.7476 118.2043 58.1329 31.4814 178.1980 55 V 3.0941 7.2383 118.2950 66.1996 31.3454 177.8485 56 T 3.6977 7.0869 113.8332 66.9009 68.4182 176.0591 57 Q 3.9190 6.9911 116.7808 57.2262 28.8481 176.3075 58 N 4.7894 7.0412 113.7227 52.1075 40.8012 174.5795 59 I 3.8865 7.4406 118.8707 60.2026 38.8059 175.2414 60 E 4.1005 8.6429 125.5124 55.8161 29.9429 178.0601 61 E 3.9514 8.6970 121.3271 59.2871 29.8549 178.6443 62 S 4.1013 7.7353 113.3820 60.9637 63.2869 174.9362 63 F 4.7775 7.0261 118.7663 57.3495 39.3929 175.0612 64 S 4.8223 8.6523 114.6409 57.7546 64.7013 172.7200 65 H 5.8648 8.4497 115.5303 54.2977 31.8658 173.5993 66 V 4.7948 8.9161 120.9326 60.0823 34.9397 175.1331 67 S 5.0628 9.2004 121.0198 58.5867 64.2167 173.1650 68 I 4.8558 8.3601 115.2398 58.7596 41.2258 176.3118 69 G 4.0893 9.1095 110.3710 46.6266 0.0000 173.8181 70 L 4.2501 7.4165 119.9965 54.1617 42.1763 176.4553 71 R 4.4615 7.9823 122.2892 54.1998 33.1267 174.3749 72 V 3.6970 8.0837 124.3223 62.9716 31.9209 176.2715 73 Q 4.1460 8.5338 125.9562 57.8368 29.3158 176.3133 74 N 4.2831 8.0306 113.9612 53.9154 38.9930 174.8521 75 K 4.1653 8.4210 120.1027 58.2571 32.9347 177.4652 76 E 4.1982 7.8457 116.9648 55.7248 30.0802 176.9464 77 K 4.0504 8.5456 120.1474 59.1993 32.1897 177.1577 78 Q 4.5355 7.4720 113.3638 55.0766 31.5929 173.9289 79 C 4.3575 8.4051 113.7930 59.5225 28.3507 173.7735 80 S 4.3336 9.2065 117.6482 57.5898 61.8454 174.0238 81 T 4.2126 8.3207 118.0823 62.3719 69.5182 174.5010 82 K 5.0399 7.4373 120.2750 54.3346 35.9769 175.8286 83 W 4.5993 8.9175 122.3624 55.4714 30.1485 177.8967 84 S 4.1652 8.8828 114.4397 61.1496 62.3013 174.8255 85 D 4.6184 8.2784 118.7809 53.1551 39.4522 176.9552 86 G 4.0612 8.4621 110.2312 45.6392 0.0000 174.5960 87 S 4.4396 8.4761 114.7719 57.8581 63.7860 173.8677 88 S 4.8609 8.4027 115.9741 58.1244 63.8570 174.9638 89 V 4.3336 8.2920 123.8354 61.8912 29.4814 175.5553 90 S 4.6493 8.4417 116.9945 57.7518 64.3498 174.3262 91 Y 4.6668 8.0277 121.9605 55.6843 40.9993 173.9800 92 D 4.6043 8.0406 125.8175 53.3737 43.6219 174.3382 93 N 4.8824 8.5421 125.0314 52.6170 39.3915 174.7478 94 L 4.0704 7.8856 120.3401 54.8778 42.9517 176.6299 95 L 4.3072 8.3412 125.2914 54.3804 42.6584 177.5982 96 D 4.4236 8.9735 122.6571 57.5717 40.9305 178.8086 97 L 3.8379 8.0665 119.0686 57.5480 42.0423 176.8378 98 Y 4.3383 8.3949 114.0864 57.5618 38.2045 175.5080 99 I 4.1816 7.8167 122.7940 60.5894 36.7974 175.8896 100 T 4.4573 8.1625 117.1132 59.7825 68.0834 173.7474 101 K 4.3236 8.0114 126.0166 57.3197 33.9718 175.8630 102 C 5.3968 8.2724 119.0229 54.9452 41.9805 172.4413 103 S 5.4614 8.2783 112.5960 57.6129 66.8329 172.4797 104 L 4.6296 8.7630 119.6200 55.4660 44.1412 173.3833 105 L 5.6000 9.4683 118.9111 52.8498 45.3383 176.1763 106 K 4.9134 8.2940 119.5977 54.7080 35.8019 177.1595 107 K 2.4800 8.2150 123.1860 58.9608 32.2974 178.8941 108 E 3.9275 7.8965 117.5113 58.6570 29.1624 177.5522 109 T 4.4398 7.4913 107.8000 61.0818 69.1196 174.7939 110 G 3.8065 8.1402 107.9183 46.7430 0.0000 174.1881 111 F 3.8982 7.5078 115.2132 58.5255 36.2258 176.5675 112 R 4.3478 6.9833 117.2152 57.2756 31.3744 177.7319 113 K 3.8855 7.9239 120.3071 56.8205 33.2820 176.2472 114 W 5.4188 8.0008 120.1291 55.7675 30.7804 175.9113 115 F 4.9765 9.2447 122.0151 55.6668 41.9128 175.3419 116 V 4.5603 8.6009 115.2178 61.7526 32.5623 175.0489 117 A 4.6125 8.8473 123.8318 50.7318 23.1491 175.6913 118 S 4.5370 8.5590 114.3075 58.8620 62.8731 175.0063 119 C 4.5843 8.9513 122.2943 57.7759 40.5019 174.6412 120 I 4.1100 7.5245 112.6851 60.4264 37.8852 176.2663 121 G 3.7343 7.7748 110.9878 45.5232 0.0000 172.8795 122 K 4.9436 8.4586 121.6501 54.5686 33.6691 175.4107 123 I 4.7086 8.5465 118.0835 58.4372 41.9749 172.6087 124 P 4.8524 0.0000 0.0000 62.3780 32.7655 175.2835 125 F 5.2200 7.9449 114.0920 56.0642 41.5509 173.2311 126 V 4.9241 8.2612 118.6262 60.3991 34.0389 174.4392 127 C 5.5608 9.4042 121.7443 56.0200 44.1257 172.4422 128 K 5.9081 9.5460 120.6839 56.0385 35.7482 174.5480 129 F 5.3406 8.5139 120.1896 55.3288 41.5061 170.8678 130 P 4.9183 0.0000 0.0000 60.4089 32.0434 173.8583 131 P 4.4939 0.0000 0.0000 62.6041 32.0310 175.7038 132 Q 4.5543 8.3002 118.3966 55.1095 30.3422 175.8410 133 C 4.3677 8.2665 117.0858 60.1332 29.2262 174.1195 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 H 8.44 4.42 0.00 2.96 3.17 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.68 4.78 0.00 3.04 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 3 P 0.00 4.44 0.00 2.02 2.01 0.00 3.34 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 1.72 2.02 0.00 4 S 8.35 4.39 0.00 3.95 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 5 D 8.83 4.69 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 W 7.92 5.04 0.00 3.45 3.40 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 7 Y 9.72 4.86 0.00 3.35 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 8 Y 8.83 5.36 0.00 3.07 2.91 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 9 Y 8.28 4.32 0.00 1.43 1.74 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 10 D 7.61 3.63 0.00 1.58 1.62 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 11 Q 5.74 4.57 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.47 0.00 0.00 0.00 0.00 0.00 2.21 2.11 0.00 12 H 8.29 5.04 0.00 2.91 2.89 0.00 5.76 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 8.77 5.86 0.00 1.59 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 14 Y 9.45 6.04 0.00 3.16 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 15 R 8.25 4.40 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 16 I 8.02 4.50 1.61 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.90 0.60 0.00 0.00 17 F 8.51 4.26 0.00 1.51 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 0.00 0.00 0.00 0.00 18 N 8.40 4.91 0.00 2.76 3.21 0.00 0.00 6.99 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 19 E 7.54 4.54 0.00 1.86 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 2.28 2.25 0.00 20 E 8.56 4.03 0.00 1.80 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 1.86 2.35 0.00 21 M 8.87 4.94 0.00 1.74 1.64 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 22 N 8.59 5.67 0.00 3.10 2.97 0.00 0.00 6.33 8.88 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 23 W 8.52 4.12 0.00 3.51 3.26 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 24 E 8.52 4.17 0.00 2.15 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 0.00 2.59 2.63 0.00 25 D 8.17 4.52 0.00 2.65 2.74 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 26 A 7.97 2.86 0.34 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 27 E 7.76 3.57 0.00 1.16 1.79 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 2.13 2.29 0.00 28 W 8.12 4.25 0.00 3.28 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 29 F 8.53 3.86 0.00 2.91 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 30 C 8.65 4.25 0.00 3.16 3.24 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 31 T 7.79 3.85 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 1.24 0.00 0.00 32 K 7.49 4.05 0.00 1.42 1.58 0.00 1.10 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.27 7.81 33 Q 7.37 3.80 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.63 0.00 34 A 6.75 4.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.29 4.05 0.00 1.73 1.74 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.34 7.81 36 G 8.83 3.90 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 0.00 0.00 0.00 37 A 7.49 4.57 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 38 H 8.80 4.76 0.00 3.12 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 9.14 4.60 0.00 1.42 1.61 0.81 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.90 4.02 2.38 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 1.01 0.00 0.00 1.26 0.00 0.00 41 S 8.70 4.87 0.00 3.97 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 42 I 8.34 4.63 2.28 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 1.73 0.72 1.33 0.00 0.00 43 K 9.55 4.71 0.00 1.79 1.89 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.44 7.81 44 S 7.69 4.66 0.00 4.05 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 45 A 8.37 4.03 1.35 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 0.00 0.00 0.00 46 K 8.06 3.95 0.00 1.94 2.06 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.55 7.81 47 E 8.37 3.84 0.00 2.35 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 2.48 2.59 0.00 48 A 8.71 4.11 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.57 4.26 0.00 2.85 2.81 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 50 F 7.93 3.86 0.00 2.29 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 0.00 0.00 0.00 0.00 51 V 8.05 3.10 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 0.87 0.00 0.00 0.93 0.00 0.00 52 A 8.05 3.90 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.26 3.94 0.00 3.30 3.10 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 54 M 7.75 2.97 0.00 1.43 0.93 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.75 0.00 55 V 7.24 3.09 1.43 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 -0.37 0.00 0.00 0.66 0.00 0.00 56 T 7.09 3.70 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 1.15 0.00 0.00 57 Q 6.99 3.92 0.00 1.15 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 1.80 2.11 0.00 58 N 7.04 4.79 0.00 2.35 2.59 0.00 0.00 6.91 7.11 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 59 I 7.44 3.89 1.70 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 1.40 0.77 0.91 0.00 0.00 60 E 8.64 4.10 0.00 1.69 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 0.00 2.45 2.19 0.00 61 E 8.70 3.95 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 2.18 2.19 0.00 62 S 7.74 4.10 0.00 3.72 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 63 F 7.03 4.78 0.00 3.13 2.89 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 64 S 8.65 4.82 0.00 3.82 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 65 H 8.45 5.86 0.00 3.04 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.92 4.79 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 0.98 0.00 0.00 0.96 0.00 0.00 67 S 9.20 5.06 0.00 3.91 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 68 I 8.36 4.86 1.81 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.90 0.97 0.00 0.00 69 G 9.11 4.09 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 0.00 0.00 0.00 70 L 7.42 4.25 0.00 1.54 1.53 0.50 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.98 4.46 0.00 0.67 1.29 0.00 2.21 0.00 0.00 2.62 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.05 0.00 72 V 8.08 3.70 1.95 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 0.80 0.00 0.00 0.90 0.00 0.00 73 Q 8.53 4.15 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 74 N 8.03 4.28 0.00 2.63 2.89 0.00 0.00 6.90 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 75 K 8.42 4.17 0.00 1.71 1.83 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.42 7.81 76 E 7.85 4.20 0.00 2.06 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 2.28 2.36 0.00 77 K 8.55 4.05 0.00 1.88 1.84 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.39 7.81 78 Q 7.47 4.54 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.13 0.00 0.00 0.00 0.00 0.00 2.10 2.53 0.00 79 C 8.41 4.36 0.00 2.93 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 80 S 9.21 4.33 0.00 3.57 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 81 T 8.32 4.21 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 82 K 7.44 5.04 0.00 1.72 1.82 0.00 1.76 0.00 0.00 1.95 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.43 7.81 83 W 8.92 4.60 0.00 3.57 3.16 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 84 S 8.88 4.17 0.00 4.03 4.09 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 85 D 8.28 4.62 0.00 2.79 2.81 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 86 G 8.46 4.06 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 0.00 0.00 0.00 87 S 8.48 4.44 0.00 4.07 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.40 4.86 0.00 4.06 3.97 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 89 V 8.29 4.33 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 0.64 0.00 0.00 0.13 0.00 0.00 90 S 8.44 4.65 0.00 4.11 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.03 4.67 0.00 3.00 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 92 D 8.04 4.60 0.00 2.56 2.39 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 93 N 8.54 4.88 0.00 2.78 2.79 0.00 0.00 7.11 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.89 4.07 0.00 1.70 1.55 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.34 4.31 0.00 1.97 1.72 1.00 1.14 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 96 D 8.97 4.42 0.00 2.79 2.74 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 97 L 8.07 3.84 0.00 1.66 1.63 0.74 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 8.39 4.34 0.00 3.07 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 99 I 7.82 4.18 1.97 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 1.36 0.73 0.93 0.00 0.00 100 T 8.16 4.46 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 1.22 0.00 0.00 101 K 8.01 4.32 0.00 1.58 1.68 0.00 1.51 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.38 7.81 102 C 8.27 5.40 0.00 2.87 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 0.00 103 S 8.28 5.46 0.00 3.87 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.76 4.63 0.00 1.97 1.89 0.78 0.40 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 0.00 105 L 9.47 5.60 0.00 1.86 1.94 1.15 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.29 4.91 0.00 1.71 1.51 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.34 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.87 0.89 7.81 107 K 8.22 2.48 0.00 1.52 1.60 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.27 1.29 7.81 108 E 7.90 3.93 0.00 1.80 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 109 T 7.49 4.44 4.32 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 1.34 0.00 0.00 110 G 8.14 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 0.00 111 F 7.51 3.90 0.00 3.25 3.16 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 0.00 112 R 6.98 4.35 0.00 2.07 1.82 0.00 3.37 0.00 0.00 3.31 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 113 K 7.92 3.89 0.00 1.66 1.49 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.43 7.81 114 W 8.00 5.42 0.00 3.30 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 0.00 115 F 9.24 4.98 0.00 2.99 2.96 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 0.00 116 V 8.60 4.56 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 0.69 0.00 0.00 0.98 0.00 0.00 117 A 8.85 4.61 1.22 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 0.00 0.00 118 S 8.56 4.54 0.00 3.85 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 0.00 119 C 8.95 4.58 0.00 2.99 3.10 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 0.00 120 I 7.52 4.11 1.88 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 1.22 0.58 0.91 0.00 0.00 121 G 7.77 3.73 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 0.00 122 K 8.46 4.94 0.00 1.62 1.64 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.41 7.81 123 I 8.55 4.71 2.04 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 1.26 0.90 0.92 0.00 0.00 124 P 0.00 4.85 0.00 1.94 1.87 0.00 4.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.67 0.00 125 F 7.94 5.22 0.00 3.05 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 0.00 126 V 8.26 4.92 2.05 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 1.00 0.00 0.00 1.16 0.00 0.00 127 C 9.40 5.56 0.00 3.39 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 9.55 5.91 0.00 1.72 1.66 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.67 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.26 0.67 7.81 129 F 8.51 5.34 0.00 3.21 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.92 0.00 2.04 2.05 0.00 3.99 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 2.00 2.02 0.00 131 P 0.00 4.49 0.00 2.09 1.89 0.00 3.83 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 132 Q 8.30 4.55 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 133 C 8.27 4.37 0.00 2.87 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