NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.7654 8.4449 117.8304 56.2521 29.9517 172.7812 1D H 4.7273 8.8172 119.6433 55.3352 29.6826 172.2083 1E H 5.0945 7.5864 116.0617 53.6085 33.3190 172.2949 1F H 4.6188 8.9196 117.1180 55.9068 29.0880 174.4339 1G F 4.8418 8.4123 119.7779 57.7338 39.8772 174.5611 2 N 4.6496 8.3380 117.4477 52.3525 39.1467 174.6385 3 L 4.7653 8.0754 123.2997 52.0394 44.0928 174.6190 4 P 4.5234 0.0000 0.0000 61.5751 32.3393 174.2332 5 P 4.4051 0.0000 0.0000 62.3970 32.3909 174.5666 6 G 3.8454 8.2774 105.0269 44.2646 0.0000 172.0179 7 N 4.5292 8.0283 115.5752 51.4744 40.3868 173.7070 8 Y 4.7826 7.9396 112.6199 57.8616 38.4201 177.0821 9 K 4.0809 8.1430 121.1975 59.0694 32.2191 177.3192 10 K 4.6851 7.6052 115.2436 53.3807 34.7623 174.0325 11 P 4.7055 0.0000 0.0000 63.2355 32.3638 174.9369 12 K 4.8954 9.5908 119.9302 55.1507 37.5599 174.9230 13 L 4.8667 9.1703 121.1444 53.2722 44.2235 176.3431 14 L 4.8501 8.6683 124.3304 53.7181 42.4653 174.2279 15 Y 4.7000 9.0195 125.9665 56.9721 40.3889 173.3803 16 C 4.5094 8.3681 128.3857 57.2995 32.5012 174.6718 17 S 3.8917 7.8795 121.8244 60.8092 62.9976 175.2601 18 N 4.2162 7.9722 119.3764 56.0687 38.5006 175.3445 19 G 3.9453 7.3837 101.2797 44.2592 0.0000 172.3832 20 G 3.4064 7.9039 107.2990 46.5601 0.0000 173.2860 21 H 4.8540 7.4571 115.1861 53.7152 31.8807 173.8896 22 F 5.2687 8.8617 120.4670 56.0544 40.6457 175.2867 23 L 4.4800 9.0237 125.9954 55.4478 43.2737 175.6749 24 R 4.8745 9.6162 125.9296 54.6685 33.7804 173.8582 25 I 4.8464 8.1751 126.5260 59.3574 38.6497 175.6890 26 L 4.0559 8.7602 127.9543 53.5205 42.3343 176.9169 27 P 4.2258 0.0000 0.0000 66.0295 31.2953 177.6192 28 D 4.5191 8.0358 113.3796 53.6631 39.1317 176.8911 29 G 4.1007 8.4225 107.2742 46.2976 0.0000 174.0378 30 T 4.5567 7.8258 116.4097 62.6763 69.3400 173.9519 31 V 4.8487 8.1206 123.7973 61.1523 34.4735 174.3360 32 D 4.5497 8.7006 126.8720 52.9018 42.6525 174.1051 33 G 4.5967 8.6190 104.5467 45.5121 0.0000 172.1907 34 T 5.0086 8.8708 114.6988 60.6238 70.9648 174.7432 35 R 4.2784 8.8589 124.7479 56.9764 31.0037 176.3399 36 D 4.5633 8.2503 118.8706 53.5803 40.1873 176.5697 37 R 3.7595 8.6119 127.8255 58.2226 30.2903 177.1892 38 S 4.3889 8.2450 110.8190 58.7639 63.6801 174.0831 39 D 4.3758 7.7271 121.7539 55.1347 41.2298 175.8859 40 Q 4.4303 8.4634 122.8089 56.0260 29.3803 175.8211 41 H 4.8426 9.4155 115.7832 55.4994 29.2102 175.2974 42 I 4.4951 7.4700 111.3590 60.1119 38.0344 175.4008 43 Q 4.2117 7.7984 121.8702 55.7800 29.5850 174.6507 44 L 4.9762 8.9652 125.0634 52.7745 45.1742 175.3828 45 Q 4.8153 9.1743 125.0932 54.5037 30.7370 174.3427 46 L 5.5804 8.8563 126.4902 53.1832 43.6326 176.2506 47 S 4.5431 8.1430 114.9202 56.7396 66.5953 172.6441 48 A 4.2482 8.2579 123.9489 51.4277 19.4810 175.4492 49 E 4.1935 8.8722 120.6626 55.8279 31.2877 176.5055 50 S 4.7972 7.7110 111.6583 55.8281 66.2555 174.0050 51 V 3.7928 8.3028 121.3635 65.1156 31.4227 176.4010 52 G 3.9638 9.2857 115.2708 45.0886 0.0000 171.7690 53 E 5.1647 8.4697 120.1595 54.7486 32.1762 175.5898 54 V 4.8368 8.9188 116.0463 60.0280 37.0768 173.6916 55 Y 5.3245 8.7778 119.1159 56.4783 41.4306 175.5011 56 I 4.3960 8.6406 122.4560 59.5824 40.4162 174.0146 57 K 4.7286 8.5140 128.8815 53.9072 35.1663 175.1562 58 S 4.6440 8.6868 123.0644 58.6933 62.6693 174.9042 59 T 3.8380 8.6170 118.1411 64.1809 68.7530 175.8612 60 E 4.0688 8.3255 122.9803 58.7122 29.9581 177.0457 61 T 4.2286 7.5920 106.3548 61.1355 69.9537 175.7755 62 G 3.8116 8.2980 109.7754 44.9669 0.0000 173.5502 63 Q 4.3611 7.5789 119.5588 56.1052 30.1224 174.6872 64 Y 4.7012 9.3817 121.7384 56.1232 40.3144 175.1425 65 L 4.3798 9.2175 126.5776 55.5413 43.4923 175.5320 66 A 5.2217 8.5742 125.5393 51.0675 23.3518 174.4400 67 M 5.3538 8.5704 119.1225 53.8974 34.9244 175.5866 68 D 5.2203 9.7220 125.8145 51.8593 41.1485 176.9375 69 T 4.0208 8.5445 112.8222 64.9118 67.2396 174.0693 70 D 4.6582 9.1184 119.5308 54.0893 41.2229 177.1288 71 G 3.3724 8.7935 108.7712 45.0184 0.0000 172.3823 72 L 4.6929 7.8231 121.9484 53.7954 43.4788 175.8499 73 L 5.1104 8.5999 126.2370 55.0800 42.9410 175.4060 74 Y 4.9148 8.8049 119.0966 56.2476 41.9220 173.2725 75 G 4.2838 8.6830 108.3365 45.2202 0.0000 173.1930 76 S 5.0382 9.1841 121.0622 56.6656 64.2485 175.2061 77 Q 3.9465 9.0689 125.6204 58.4159 28.8474 176.7260 78 T 4.6010 7.5193 105.2800 58.6039 71.6768 172.0860 79 P 3.7736 0.0000 0.0000 62.3506 30.5483 174.9884 80 N 4.9729 8.0245 123.5035 50.7260 39.7065 175.1679 81 E 3.9471 8.6223 114.5982 59.7601 29.8096 178.3251 82 E 4.1338 7.9626 117.1606 57.6995 29.6702 177.9827 83 S 5.1743 7.7644 113.5405 58.1225 63.6960 173.8652 84 L 4.3617 7.1099 121.0624 53.5292 43.0398 175.8168 85 F 5.2019 8.7925 121.3414 55.5956 43.4963 174.1931 86 L 4.8636 9.3040 123.1813 53.7414 42.7702 175.5012 87 E 4.5580 8.8872 126.8970 55.3161 30.1308 175.6674 88 R 4.8199 8.5287 125.4047 54.0482 34.7181 174.7261 89 L 4.7136 8.5882 123.4546 55.1225 43.1693 175.7667 90 E 4.7106 9.0175 124.4290 55.1941 33.6018 174.9469 91 E 3.9765 9.7187 123.6621 57.9285 27.3148 174.3606 92 N 4.3237 8.5593 110.3431 54.1802 36.6664 173.9863 93 H 4.8765 8.5664 116.5521 57.7097 36.7379 173.5128 94 Y 4.6399 7.8148 116.0325 57.4202 40.0564 173.5879 95 N 5.5319 9.6966 118.1509 51.9565 41.4247 174.5384 96 T 5.2830 8.6721 112.0312 60.1979 73.2392 172.3717 97 Y 5.1352 8.5957 118.7260 56.5796 41.7153 174.2269 98 I 4.6586 8.5784 125.6539 59.0723 39.8439 175.3177 99 S 4.0906 8.8587 122.2231 58.5005 62.3823 173.9386 100 K 3.9559 8.8161 129.4389 59.4300 32.2577 178.6322 101 K 3.7391 7.9167 118.0251 59.1155 32.2211 176.7019 102 H 4.7712 8.2541 114.2731 54.2756 29.3910 176.4299 103 A 3.9637 7.8737 126.0400 55.2221 18.0882 180.8490 104 E 3.8915 8.1017 113.1130 58.5574 29.7288 178.1611 105 K 4.3210 7.5124 117.2142 55.3247 32.7787 175.7242 106 N 4.0322 7.8273 115.6160 54.0296 36.4449 174.7554 107 W 5.0299 7.7825 117.6820 55.9532 30.9545 177.4406 108 F 5.4038 9.4947 124.1465 55.6238 41.1036 175.5657 109 V 4.0627 8.8527 121.1478 62.8451 32.6726 175.1776 110 G 4.3642 8.5694 112.4200 45.3157 0.0000 171.5478 111 L 5.2830 8.5222 121.7567 52.5560 45.1071 176.9741 112 K 4.2094 8.7878 122.7643 55.2147 33.1243 178.3391 113 K 3.8593 8.4412 119.8014 59.4160 31.9648 177.8974 114 N 4.5697 8.0755 113.8833 52.6790 37.6252 176.0071 115 G 3.5622 8.3216 108.8291 45.3707 0.0000 173.7756 116 S 4.7302 8.1165 114.9554 57.2460 64.4216 173.5910 117 C 4.7880 8.2706 119.6837 59.8604 28.6965 173.5444 118 K 4.3313 8.8612 121.5879 55.9408 33.1694 176.4664 119 R 4.0991 8.5400 122.9691 55.7693 31.3055 177.3226 120 G 3.3068 9.2165 116.0545 48.2373 0.0000 174.1606 121 P 4.0866 0.0000 0.0000 64.4469 31.4880 177.7805 122 R 4.1710 7.9299 115.7222 56.8982 30.2798 176.3236 123 T 5.1067 7.6429 108.5029 59.6276 70.9158 173.3262 124 H 4.5968 7.7000 115.1249 55.0142 30.3146 173.2353 125 Y 4.0038 8.6825 118.4337 60.0054 38.1167 176.7473 126 G 4.0954 8.9701 111.3792 45.6507 0.0000 174.1862 127 Q 4.1225 7.4722 118.4661 55.5165 29.5381 177.3138 128 K 3.8485 8.3302 119.5099 58.5399 32.8783 179.3753 129 A 3.9853 8.0034 121.3879 54.1035 18.3590 178.6606 130 I 4.3170 7.1553 106.0437 60.9423 38.1667 175.4325 131 L 4.3110 7.2965 123.2420 53.9966 42.5004 175.7611 132 F 5.1571 9.4258 123.0108 55.5949 43.2624 174.8642 133 L 5.2135 9.4798 121.6458 52.1296 44.4934 174.1954 134 P 5.0414 0.0000 0.0000 62.9090 32.0986 175.8289 135 L 4.9699 9.1063 123.4084 51.9851 45.3952 174.5221 136 P 4.6106 0.0000 0.0000 62.7639 32.3728 176.9686 137 V 3.8099 8.1513 113.9976 61.7202 31.6793 176.3145 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 1C H 8.44 4.77 0.00 3.08 3.43 0.00 5.64 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 1D H 8.82 4.73 0.00 3.17 3.23 0.00 5.64 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.59 5.09 0.00 3.13 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.92 4.62 0.00 3.32 3.38 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.41 4.84 0.00 2.90 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 2 N 8.34 4.65 0.00 2.97 2.79 0.00 0.00 6.86 6.74 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 3 L 8.08 4.77 0.00 1.47 1.41 0.62 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.52 0.00 2.21 2.08 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 5 P 0.00 4.41 0.00 2.17 2.07 0.00 3.73 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 1.96 1.94 0.00 6 G 8.28 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 7 N 8.03 4.53 0.00 2.63 2.65 0.00 0.00 5.91 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 8 Y 7.94 4.78 0.00 3.05 3.21 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 9 K 8.14 4.08 0.00 1.85 1.91 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.50 7.81 10 K 7.61 4.69 0.00 1.72 1.70 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.39 7.81 11 P 0.00 4.71 0.00 2.06 2.05 0.00 3.72 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 1.98 1.99 0.00 12 K 9.59 4.90 0.00 1.62 1.84 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.62 7.81 13 L 9.17 4.87 0.00 1.61 1.60 0.53 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.67 4.85 0.00 1.54 1.50 0.39 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.02 4.70 0.00 3.37 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.37 4.51 0.00 2.50 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.88 3.89 0.00 3.99 4.07 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 18 N 7.97 4.22 0.00 2.52 2.65 0.00 0.00 6.70 7.98 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 19 G 7.38 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 20 G 7.90 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 0.00 0.00 0.00 21 H 7.46 4.85 0.00 3.01 3.23 0.00 5.80 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 22 F 8.86 5.27 0.00 3.13 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 9.02 4.48 0.00 1.74 1.49 0.92 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.62 4.87 0.00 1.90 2.01 0.00 3.27 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 25 I 8.18 4.85 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.73 0.89 0.00 0.00 26 L 8.76 4.06 0.00 1.86 1.55 0.91 1.10 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 27 P 0.00 4.23 0.00 2.00 2.12 0.00 3.53 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 28 D 8.04 4.52 0.00 2.79 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 29 G 8.42 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 30 T 7.83 4.56 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 31 V 8.12 4.85 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 0.88 0.00 0.00 0.97 0.00 0.00 32 D 8.70 4.55 0.00 2.88 2.72 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 33 G 8.62 4.60 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 0.00 34 T 8.87 5.01 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 35 R 8.86 4.28 0.00 1.87 1.98 0.00 3.19 0.00 0.00 3.07 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.43 0.00 36 D 8.25 4.56 0.00 2.84 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 37 R 8.61 3.76 0.00 1.88 1.92 0.00 3.28 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.02 0.00 38 S 8.25 4.39 0.00 4.00 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 39 D 7.73 4.38 0.00 2.80 2.67 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 40 Q 8.46 4.43 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 41 H 9.42 4.84 0.00 3.32 3.45 0.00 5.79 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.47 4.50 1.89 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.89 1.04 0.00 0.00 43 Q 7.80 4.21 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 44 L 8.97 4.98 0.00 1.61 1.44 0.80 0.63 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 45 Q 9.17 4.82 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 46 L 8.86 5.58 0.00 1.78 1.60 0.87 1.13 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 47 S 8.14 4.54 0.00 3.88 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.26 4.25 1.21 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 0.00 0.00 49 E 8.87 4.19 0.00 1.66 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 50 S 7.71 4.80 0.00 4.20 3.76 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 51 V 8.30 3.79 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 0.95 0.00 0.00 1.03 0.00 0.00 52 G 9.29 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.47 5.16 0.00 1.94 1.70 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 2.22 2.28 0.00 54 V 8.92 4.84 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 0.68 0.00 0.00 1.16 0.00 0.00 55 Y 8.78 5.32 0.00 2.99 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 56 I 8.64 4.40 1.71 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.71 0.67 0.00 0.00 57 K 8.51 4.73 0.00 1.03 1.29 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.66 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.92 0.67 7.81 58 S 8.69 4.64 0.00 3.88 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 59 T 8.62 3.84 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 60 E 8.33 4.07 0.00 1.97 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 2.09 2.33 0.00 61 T 7.59 4.23 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 1.26 0.00 0.00 62 G 8.30 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 63 Q 7.58 4.36 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 64 Y 9.38 4.70 0.00 2.83 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 65 L 9.22 4.38 0.00 1.67 1.53 0.82 0.54 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 66 A 8.57 5.22 0.72 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 0.00 0.00 67 M 8.57 5.35 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.74 0.00 68 D 9.72 5.22 0.00 2.93 2.84 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 69 T 8.54 4.02 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 1.27 0.00 0.00 70 D 9.12 4.66 0.00 2.77 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 71 G 8.79 3.37 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 0.00 0.00 0.00 0.00 72 L 7.82 4.69 0.00 1.73 1.92 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.60 5.11 0.00 1.62 1.61 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.80 4.91 0.00 3.02 3.03 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 75 G 8.68 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 0.00 0.00 0.00 0.00 76 S 9.18 5.04 0.00 3.84 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 77 Q 9.07 3.95 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.52 4.60 4.13 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 1.21 0.00 0.00 79 P 0.00 3.77 0.00 0.93 0.49 0.00 3.38 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.10 0.00 80 N 8.02 4.97 0.00 2.96 3.00 0.00 0.00 5.91 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 81 E 8.62 3.95 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 82 E 7.96 4.13 0.00 2.43 2.28 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 2.40 2.34 0.00 83 S 7.76 5.17 0.00 4.24 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.11 4.36 0.00 1.53 1.30 0.78 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.79 5.20 0.00 3.01 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 86 L 9.30 4.86 0.00 1.51 1.58 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.89 4.56 0.00 2.24 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 2.23 2.09 0.00 88 R 8.53 4.82 0.00 1.80 1.80 0.00 3.14 0.00 0.00 2.86 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 89 L 8.59 4.71 0.00 1.75 1.60 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.02 4.71 0.00 2.22 1.86 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 2.29 2.43 0.00 91 E 9.72 3.98 0.00 2.40 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 0.00 2.30 2.39 0.00 92 N 8.56 4.32 0.00 2.84 2.88 0.00 0.00 6.87 8.16 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 93 H 8.57 4.88 0.00 2.82 2.88 0.00 5.94 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 94 Y 7.81 4.64 0.00 3.03 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 95 N 9.70 5.53 0.00 2.96 2.52 0.00 0.00 6.94 7.56 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 96 T 8.67 5.28 4.56 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 1.40 0.00 0.00 97 Y 8.60 5.14 0.00 2.78 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 98 I 8.58 4.66 1.64 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.51 0.60 0.00 0.00 99 S 8.86 4.09 0.00 4.10 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.82 3.96 0.00 1.66 1.64 0.00 1.67 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.30 7.81 101 K 7.92 3.74 0.00 1.59 1.63 0.00 1.97 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.96 1.28 7.81 102 H 8.25 4.77 0.00 3.09 2.18 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.87 3.96 1.37 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 0.00 0.00 0.00 104 E 8.10 3.89 0.00 1.93 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 2.20 2.15 0.00 105 K 7.51 4.32 0.00 0.93 1.64 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.08 7.81 106 N 7.83 4.03 0.00 3.05 3.13 0.00 0.00 6.89 7.25 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 0.00 107 W 7.78 5.03 0.00 3.33 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 0.00 108 F 9.49 5.40 0.00 2.80 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 0.00 109 V 8.85 4.06 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 0.66 0.00 0.00 0.48 0.00 0.00 110 G 8.57 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.52 5.28 0.00 1.48 1.45 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.79 4.21 0.00 1.97 1.67 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.35 7.81 113 K 8.44 3.86 0.00 1.70 1.85 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.42 7.81 114 N 8.08 4.57 0.00 2.78 2.89 0.00 0.00 6.15 7.00 0.00 0.00 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 G 8.32 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 0.00 0.00 0.00 116 S 8.12 4.73 0.00 3.98 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 0.00 117 C 8.27 4.79 0.00 2.88 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 0.00 118 K 8.86 4.33 0.00 1.57 1.68 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.33 7.81 119 R 8.54 4.10 0.00 1.79 1.63 0.00 3.18 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 120 G 9.22 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 0.00 0.00 0.00 121 P 0.00 4.09 0.00 1.86 2.12 0.00 2.99 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.35 0.00 122 R 7.93 4.17 0.00 1.83 1.91 0.00 3.27 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 123 T 7.64 5.11 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 1.23 0.00 0.00 124 H 7.70 4.60 0.00 3.36 3.49 0.00 5.47 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.68 4.00 0.00 3.13 2.92 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 0.00 126 G 8.97 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 0.00 127 Q 7.47 4.12 0.00 1.80 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.77 0.00 0.00 0.00 0.00 0.00 2.15 1.97 0.00 128 K 8.33 3.85 0.00 1.62 1.64 0.00 1.48 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.26 7.81 129 A 8.00 3.99 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.16 4.32 1.64 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.09 0.41 0.00 0.00 131 L 7.30 4.31 0.00 1.15 0.78 0.31 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.43 5.16 0.00 3.37 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 0.00 133 L 9.48 5.21 0.00 1.93 1.81 0.84 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.04 0.00 2.17 2.22 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 135 L 9.11 4.97 0.00 1.65 1.60 1.06 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.61 0.00 1.93 1.98 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 137 V 8.15 3.81 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 0.67 0.00 0.00 0.96 0.00 0.00