NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2665 8.3344 116.7738 57.9968 65.3830 172.8742 5 V 3.6744 7.6191 124.4548 61.5005 32.1893 170.6458 6 V 4.2388 9.0010 128.4981 61.4710 33.7223 174.4753 7 K 4.7508 8.1378 124.3021 54.3489 35.5544 176.4740 8 S 4.3433 8.8379 117.8825 62.1404 62.8063 176.8119 9 E 4.1802 8.2199 112.9413 57.1610 29.0510 176.5163 10 D 4.7464 7.9852 118.0162 54.4758 41.2676 177.7820 11 Y 4.1362 7.8120 119.4705 59.9579 37.8566 177.2993 12 A 4.1654 6.8910 120.8804 53.1113 18.8811 176.8415 13 L 4.6791 7.1335 115.6220 51.8315 43.6817 174.8339 14 P 4.3076 0.0000 0.0000 62.9702 31.6893 175.9837 15 S 4.8408 8.3901 116.0088 56.4331 65.9196 172.2395 16 Y 4.4855 8.3087 120.9271 56.5467 39.6765 174.8280 17 V 4.3065 6.9390 117.7281 60.1027 35.6808 174.1934 18 D 4.6643 8.4820 123.7874 52.7925 41.0070 176.0768 19 R 4.5443 7.8453 122.5924 54.0035 34.1251 176.7702 20 R 3.5659 8.6816 121.8200 59.2345 30.1312 177.2484 21 D 4.7312 7.9656 113.7256 53.9021 39.3436 175.7204 22 Y 4.8213 7.9130 120.9799 55.2751 38.8167 173.4668 23 P 4.6018 0.0000 0.0000 65.2747 31.7020 176.7999 24 L 4.6211 6.6977 119.2179 51.6307 41.3113 174.3583 25 P 4.6264 0.0000 0.0000 62.1631 32.0288 176.8477 26 D 4.5556 8.8058 119.3890 56.8224 40.9221 177.1072 27 V 4.5492 7.4726 109.3294 58.9356 35.5222 174.8305 28 A 4.3305 8.2759 123.8627 51.8781 19.1596 177.3319 29 H 3.5678 8.8426 121.7449 58.1838 29.9301 175.9519 30 V 4.1464 7.7088 119.1742 60.7647 32.9243 174.7497 31 K 4.2002 8.5792 126.4106 58.2240 33.6915 176.7311 32 N 4.6528 7.9034 116.8013 51.9513 39.3601 174.1486 33 L 4.6882 8.2084 123.0073 52.7952 44.3102 177.2299 34 S 4.5104 8.2237 117.1783 57.2473 66.0579 174.9513 35 A 3.9710 8.4016 122.5119 55.5169 18.0163 179.8878 36 S 4.1295 7.9833 112.2758 61.6053 63.2691 176.5405 37 Q 3.9807 7.9195 121.6140 58.6721 28.5403 178.7906 38 K 3.9659 8.3794 119.5637 59.4600 32.0887 179.2866 39 A 4.0532 7.8425 120.6014 54.8227 18.2652 179.5099 40 L 3.9358 8.0366 119.1322 58.3193 41.9839 179.3759 41 K 4.0541 7.9674 117.3333 59.3588 32.1949 178.9642 42 E 4.1386 8.0201 118.6595 59.2745 29.4443 179.2219 43 K 4.0420 8.2345 119.6185 59.2797 32.0044 178.3287 44 E 4.2791 8.0910 118.7046 58.6720 29.5982 178.3724 45 K 4.2236 7.9406 117.1708 57.8007 32.3941 176.7148 46 A 4.4303 7.5720 122.0799 50.0244 20.5492 176.4426 47 S 3.9616 8.3773 112.6871 58.9727 62.8296 175.1667 48 W 4.7206 8.4322 125.6792 58.7572 29.3555 178.6107 49 S 4.2940 7.9890 114.5411 61.3879 62.3059 175.5422 50 S 4.3970 7.7462 114.6759 59.5706 62.9362 174.3077 51 L 4.5540 7.5071 121.2591 53.9315 42.4199 177.4655 52 S 4.5242 8.5507 117.4851 57.5499 65.4031 175.4690 53 I 3.6628 8.2861 123.8241 65.1006 36.9138 178.2056 54 D 4.3726 8.1631 118.7584 57.6768 40.6455 178.8101 55 E 4.0504 8.1068 118.7176 59.1521 29.3990 179.5268 56 K 3.9708 8.3622 119.0096 59.3422 32.0517 179.5815 57 V 3.6184 8.0528 118.8009 65.9977 31.2238 177.7565 58 E 3.9749 7.9883 118.1944 59.1513 29.6118 178.4920 59 L 4.1017 8.0047 119.3029 57.6638 41.6444 178.7250 60 Y 4.0666 8.2579 119.6256 60.9154 38.6352 178.4409 61 R 4.3973 8.1303 118.4249 58.1152 30.2968 178.5520 62 L 4.1003 7.5089 119.5684 57.0103 41.7216 179.0860 63 K 3.5299 7.5565 119.0505 57.5994 31.9930 176.3575 64 F 5.3466 7.2803 116.9520 55.5031 41.8284 175.8286 65 K 3.7641 9.2576 124.6945 58.1840 32.4318 176.6632 66 E 5.0392 8.1858 117.5720 54.2113 32.4231 176.8197 67 S 5.3864 8.5214 118.1376 57.0886 65.6666 175.5538 68 F 3.9470 9.0078 119.9657 60.5382 38.3719 177.5847 69 A 4.0521 8.1173 118.8732 55.3678 18.1252 179.1255 70 E 4.1003 7.9846 117.1616 59.7992 29.4016 179.5220 71 M 4.2587 8.1946 115.6033 57.4579 31.3697 177.2209 72 N 4.7926 7.8200 116.2126 51.8691 39.4299 175.0935 73 R 4.0885 7.0760 117.0197 55.9522 30.1449 176.8163 74 S 4.5099 8.4055 115.8256 58.0332 64.2191 172.4906 75 T 4.7522 8.0177 110.0677 60.4783 71.8677 173.2060 76 N 4.7932 8.4857 115.8462 53.3065 38.9964 176.7030 77 E 3.9440 8.2719 122.3309 59.1417 29.4328 178.7676 78 W 4.3747 8.4282 116.2989 59.5965 27.8336 178.2520 79 K 3.1144 6.6607 118.4652 59.2961 31.3515 179.4140 80 T 3.7692 7.5444 115.3300 66.4524 68.3869 176.7386 81 V 3.5949 7.8387 120.0630 66.0783 31.6675 178.2467 82 V 3.7741 8.3448 118.4512 65.9991 31.4354 178.1999 83 G 3.6211 8.3921 105.5111 47.8330 0.0000 175.5639 84 A 4.1676 8.3947 123.2902 54.7006 18.3820 179.5555 85 A 4.1580 8.3775 119.4399 55.8538 18.5212 179.8620 86 M 4.0938 8.3502 117.1678 58.2934 31.9119 178.8610 87 F 3.9982 8.2429 121.0255 61.3665 39.5915 177.3366 88 F 4.0486 8.4664 117.3587 60.4003 38.4507 177.8440 89 I 3.9710 8.0167 119.2285 64.0015 37.2376 178.4335 90 G 3.5902 8.0420 106.8988 47.7142 0.0000 175.5326 91 F 3.9224 8.0305 123.7311 61.1732 39.2010 177.2606 92 T 3.6629 7.8379 115.2135 66.5453 68.2651 176.3484 93 A 4.0062 7.7465 122.2144 54.9367 18.2503 179.7445 94 L 3.8897 7.4509 117.6462 57.8701 41.6396 179.5905 95 L 3.8902 7.2736 118.4597 57.7366 41.5516 179.4277 96 L 4.0786 7.9176 119.0189 57.6492 41.5197 179.6566 97 I 3.7288 7.8411 119.9820 64.0191 37.0824 178.1678 98 W 4.1534 8.4413 129.3566 60.3697 30.4535 177.5393 99 E 3.8785 8.6292 119.2343 59.3070 28.9222 178.6631 100 K 4.0337 7.9115 118.1729 59.7670 32.2790 177.9545 101 H 3.9913 7.9881 117.4752 59.0081 29.9152 176.1237 102 Y 4.2575 7.5890 116.0827 57.9944 38.4507 176.6637 103 V 3.9664 7.3363 118.3937 64.4018 32.7583 175.8030 104 Y 4.5802 7.5550 116.4016 57.8094 38.4422 175.9262 105 G 4.0745 8.3700 114.0735 43.4997 0.0000 171.2647 106 P 4.3440 0.0000 0.0000 62.3222 31.9707 176.0940 107 I 4.0135 7.7865 113.9157 59.0870 39.1528 173.6935 108 P 4.3572 0.0000 0.0000 62.8677 31.7384 177.5477 109 H 4.3069 8.5522 116.0616 58.0648 28.5658 177.1075 110 T 2.4800 7.0186 109.1414 62.7657 68.4872 174.6145 111 F 4.5777 7.5877 119.7401 57.5848 39.6851 176.5984 112 E 4.2243 8.0492 122.0190 55.9702 31.1929 177.1656 113 E 3.9784 8.9139 122.7949 59.7138 29.6628 179.1223 114 E 3.9537 8.2108 118.6566 58.8770 29.8624 178.2369 115 W 3.9131 8.2961 127.9944 60.5995 30.7494 177.8317 116 V 3.7703 8.3506 118.0890 66.0427 30.8939 177.8624 117 A 4.0175 7.9957 120.5048 55.0450 18.1421 179.8572 118 K 3.7834 8.1072 117.0926 59.5149 32.0417 179.3846 119 Q 3.7939 8.3305 120.1779 59.4304 28.9256 178.5574 120 T 3.9758 8.1815 117.0000 66.4278 68.4681 176.5828 121 K 3.6204 7.8925 121.5607 59.4139 32.1395 178.6665 122 R 3.8226 8.1294 119.2528 59.8268 29.8433 178.3510 123 M 4.0154 8.2550 118.5199 58.4423 31.9430 178.7985 124 L 4.1387 8.0574 119.1395 57.7151 41.4541 179.2703 125 D 4.4563 8.2355 119.1421 56.9548 40.8349 177.5900 126 M 4.2933 8.1195 114.8786 54.0066 32.4688 176.0695 127 K 4.0830 7.7298 116.9867 56.3489 30.3860 176.1764 128 V 3.4818 8.3025 118.5331 64.5512 32.9033 175.0223 129 A 3.9595 8.7188 128.1672 52.9658 15.4996 175.3623 130 P 4.5646 0.0000 0.0000 63.9744 32.7618 178.8587 131 I 4.1178 7.8498 119.5448 63.8618 37.6121 176.1887 132 Q 4.6128 7.9927 113.9708 57.3273 34.5072 176.3640 133 G 3.8145 8.3740 105.6691 48.0771 0.0000 172.9855 134 F 4.7491 8.1812 120.8634 59.1748 42.2158 176.4907 135 S 4.2842 9.4214 117.1285 61.4682 63.1822 176.8469 136 A 4.2259 8.2395 121.8376 54.4190 18.4905 177.8955 137 K 4.5287 8.5450 115.1221 55.8726 32.3640 175.5466 138 W 4.6620 8.0414 129.4670 55.2742 32.5074 174.7719 139 D 4.4714 7.6096 125.7726 52.8330 40.0396 176.5439 140 Y 4.1798 8.4706 125.4296 60.7538 38.6854 177.7317 141 D 4.4927 8.2448 119.8233 57.2668 41.2534 178.2158 142 K 4.0614 8.1780 115.5975 56.4352 32.5437 176.4279 143 N 4.0158 7.1838 116.1049 53.4678 37.7904 172.0068 144 E 3.6267 6.0898 114.0276 54.3425 33.9915 175.6480 145 W 4.3436 7.8810 120.3797 56.2811 29.7066 176.6780 146 K 3.9042 8.6365 124.3213 56.4904 32.2595 177.3673 147 K 4.1427 8.5239 122.4945 56.8005 32.0289 176.8971 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 4 S 8.33 4.27 0.00 3.80 3.78 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 0.00 0.00 0.00 5 V 7.62 3.67 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 0.73 0.00 0.00 0.92 0.00 0.00 6 V 9.00 4.24 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 0.91 0.00 0.00 1.02 0.00 0.00 7 K 8.14 4.75 0.00 1.74 1.78 0.00 2.00 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.41 7.81 8 S 8.84 4.34 0.00 3.92 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 9 E 8.22 4.18 0.00 2.05 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 2.24 2.26 0.00 10 D 7.99 4.75 0.00 3.04 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 11 Y 7.81 4.14 0.00 3.03 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 12 A 6.89 4.17 1.02 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 13 L 7.13 4.68 0.00 1.74 1.57 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.31 0.00 2.07 2.18 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 15 S 8.39 4.84 0.00 4.00 3.88 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 16 Y 8.31 4.49 0.00 3.01 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 17 V 6.94 4.31 1.99 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 0.68 0.00 0.00 0.85 0.00 0.00 18 D 8.48 4.66 0.00 2.67 2.58 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 19 R 7.85 4.54 0.00 1.83 1.94 0.00 3.08 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 20 R 8.68 3.57 0.00 1.80 2.08 0.00 3.17 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.49 0.00 21 D 7.97 4.73 0.00 2.84 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 22 Y 7.91 4.82 0.00 2.94 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 23 P 0.00 4.60 0.00 2.25 2.42 0.00 3.76 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 1.95 2.04 0.00 24 L 6.70 4.62 0.00 1.64 1.66 0.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.63 0.00 2.15 1.74 0.00 3.91 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.08 0.00 26 D 8.81 4.56 0.00 2.89 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 27 V 7.47 4.55 2.13 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 0.77 0.00 0.00 1.10 0.00 0.00 28 A 8.28 4.33 1.14 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 0.00 0.00 29 H 8.84 3.57 0.00 2.20 3.25 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.71 4.15 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 0.81 0.00 0.00 0.64 0.00 0.00 31 K 8.58 4.20 0.00 1.86 1.87 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.41 7.81 32 N 7.90 4.65 0.00 2.69 2.76 0.00 0.00 6.75 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 33 L 8.21 4.69 0.00 1.58 1.53 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.22 4.51 0.00 4.03 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 35 A 8.40 3.97 1.33 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 0.00 0.00 0.00 36 S 7.98 4.13 0.00 4.06 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 0.00 37 Q 7.92 3.98 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 38 K 8.38 3.97 0.00 1.95 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.74 7.81 39 A 7.84 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.04 3.94 0.00 1.89 1.90 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.97 4.05 0.00 1.95 1.87 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.72 1.61 7.81 42 E 8.02 4.14 0.00 2.22 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 2.50 2.46 0.00 43 K 8.23 4.04 0.00 1.98 2.02 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.49 7.81 44 E 8.09 4.28 0.00 2.20 2.30 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 2.65 2.46 0.00 45 K 7.94 4.22 0.00 1.92 1.87 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.36 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.72 7.81 46 A 7.57 4.43 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 47 S 8.38 3.96 0.00 3.81 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 48 W 8.43 4.72 0.00 3.51 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 49 S 7.99 4.29 0.00 3.92 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 50 S 7.75 4.40 0.00 4.07 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 51 L 7.51 4.55 0.00 1.98 1.63 1.00 0.85 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 52 S 8.55 4.52 0.00 4.09 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 53 I 8.29 3.66 1.87 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 1.64 0.84 0.90 0.00 0.00 54 D 8.16 4.37 0.00 2.72 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 55 E 8.11 4.05 0.00 2.23 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 2.36 0.00 56 K 8.36 3.97 0.00 1.93 1.81 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.38 1.54 7.81 57 V 8.05 3.62 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 1.10 0.00 0.00 0.91 0.00 0.00 58 E 7.99 3.97 0.00 2.13 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 2.32 2.36 0.00 59 L 8.00 4.10 0.00 1.88 1.62 0.86 0.47 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 60 Y 8.26 4.07 0.00 3.15 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 61 R 8.13 4.40 0.00 1.88 2.04 0.00 3.45 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.76 0.00 62 L 7.51 4.10 0.00 1.71 1.59 0.88 0.70 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 63 K 7.56 3.53 0.00 1.40 0.97 0.00 1.17 0.00 0.00 1.48 0.00 0.00 2.82 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.59 0.21 7.81 64 F 7.28 5.35 0.00 2.57 2.85 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 65 K 9.26 3.76 0.00 1.03 2.08 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.18 7.81 66 E 8.19 5.04 0.00 2.12 1.87 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 2.28 2.25 0.00 67 S 8.52 5.39 0.00 4.12 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 68 F 9.01 3.95 0.00 3.04 3.20 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 69 A 8.12 4.05 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 70 E 7.98 4.10 0.00 2.28 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 2.36 2.35 0.00 71 M 8.19 4.26 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 72 N 7.82 4.79 0.00 2.80 2.87 0.00 0.00 7.02 7.20 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 73 R 7.08 4.09 0.00 1.98 1.95 0.00 3.08 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.59 0.00 74 S 8.41 4.51 0.00 4.05 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 75 T 8.02 4.75 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 1.24 0.00 0.00 76 N 8.49 4.79 0.00 2.72 2.71 0.00 0.00 6.45 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 77 E 8.27 3.94 0.00 2.09 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 2.35 2.35 0.00 78 W 8.43 4.37 0.00 3.66 3.33 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 0.00 79 K 6.66 3.11 0.00 1.46 1.40 0.00 1.30 0.00 0.00 1.28 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.54 3.77 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 1.19 0.00 0.00 81 V 7.84 3.59 2.31 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 1.06 0.00 0.00 0.98 0.00 0.00 82 V 8.34 3.77 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 1.09 0.00 0.00 1.19 0.00 0.00 83 G 8.39 3.62 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 0.00 0.00 0.00 84 A 8.39 4.17 1.58 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 85 A 8.38 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.35 4.09 0.00 2.14 2.34 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.61 0.00 87 F 8.24 4.00 0.00 3.13 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 88 F 8.47 4.05 0.00 3.30 3.14 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 89 I 8.02 3.97 1.97 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 1.51 0.67 0.93 0.00 0.00 90 G 8.04 3.59 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 0.00 0.00 0.00 91 F 8.03 3.92 0.00 2.51 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 92 T 7.84 3.66 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 1.19 0.00 0.00 93 A 7.75 4.01 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 94 L 7.45 3.89 0.00 1.45 1.56 0.94 0.50 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 95 L 7.27 3.89 0.00 1.70 1.60 0.84 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.92 4.08 0.00 1.88 1.73 0.92 0.93 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 97 I 7.84 3.73 2.04 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.01 0.90 0.00 0.00 98 W 8.44 4.15 0.00 3.53 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 99 E 8.63 3.88 0.00 2.31 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 0.00 1.66 2.08 0.00 100 K 7.91 4.03 0.00 1.86 1.97 0.00 1.89 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.48 7.81 101 H 7.99 3.99 0.00 2.98 2.92 0.00 5.98 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.59 4.26 0.00 1.45 2.21 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 0.00 103 V 7.34 3.97 1.80 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 0.64 0.00 0.00 0.83 0.00 0.00 104 Y 7.56 4.58 0.00 3.11 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 0.00 105 G 8.37 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 0.00 0.00 0.00 106 P 0.00 4.34 0.00 2.15 2.02 0.00 3.74 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 1.95 1.92 0.00 107 I 7.79 4.01 1.50 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.59 0.00 0.00 108 P 0.00 4.36 0.00 2.30 1.94 0.00 3.70 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 2.20 2.09 0.00 109 H 8.55 4.31 0.00 3.42 3.47 0.00 5.65 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 0.00 110 T 7.02 2.48 3.49 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 0.14 0.00 0.00 111 F 7.59 4.58 0.00 3.11 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 0.00 112 E 8.05 4.22 0.00 2.25 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 2.39 2.41 0.00 113 E 8.91 3.98 0.00 2.09 2.02 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 2.44 2.44 0.00 114 E 8.21 3.95 0.00 2.13 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 2.39 2.37 0.00 115 W 8.30 3.91 0.00 3.60 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 0.00 116 V 8.35 3.77 2.32 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 1.13 0.00 0.00 1.15 0.00 0.00 117 A 8.00 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.11 3.78 0.00 1.59 1.56 0.00 1.46 0.00 0.00 1.34 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.47 7.81 119 Q 8.33 3.79 0.00 2.03 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 120 T 8.18 3.98 4.47 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 1.47 0.00 0.00 121 K 7.89 3.62 0.00 1.68 1.79 0.00 1.53 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.22 7.81 122 R 8.13 3.82 0.00 1.78 1.98 0.00 3.06 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 123 M 8.25 4.02 0.00 1.89 2.26 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.42 0.00 124 L 8.06 4.14 0.00 1.53 1.26 -0.78 0.78 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 0.00 125 D 8.24 4.46 0.00 2.76 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 0.00 126 M 8.12 4.29 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.76 0.00 127 K 7.73 4.08 0.00 1.91 1.91 0.00 1.50 0.00 0.00 1.16 0.00 0.00 2.43 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.54 1.25 7.81 128 V 8.30 3.48 2.06 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 0.90 0.00 0.00 0.89 0.00 0.00 129 A 8.72 3.96 1.48 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 0.00 0.00 0.00 130 P 0.00 4.56 0.00 2.24 2.38 0.00 3.82 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 2.03 2.01 0.00 131 I 7.85 4.12 1.91 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 1.44 0.46 0.94 0.00 0.00 132 Q 7.99 4.61 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 133 G 8.37 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 0.00 134 F 8.18 4.75 0.00 3.13 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 0.00 135 S 9.42 4.28 0.00 4.21 4.30 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 0.00 136 A 8.24 4.23 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 0.00 0.00 0.00 0.00 0.00 137 K 8.55 4.53 0.00 2.10 1.93 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.45 7.81 138 W 8.04 4.66 0.00 2.83 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 0.00 139 D 7.61 4.47 0.00 2.35 2.13 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 0.00 140 Y 8.47 4.18 0.00 3.10 3.11 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 0.00 141 D 8.24 4.49 0.00 2.88 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 0.00 142 K 8.18 4.06 0.00 1.55 1.70 0.00 1.84 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.29 7.81 143 N 7.18 4.02 0.00 2.89 2.76 0.00 0.00 6.92 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 0.00 144 E 6.09 3.63 0.00 1.69 1.67 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 1.81 1.91 0.00 145 W 7.88 4.34 0.00 3.17 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 K 8.64 3.90 0.00 1.69 1.75 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.36 7.81 147 K 8.52 4.14 0.00 1.72 1.71 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.38 7.81