NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.1556 8.3144 121.7836 55.8017 33.5749 176.2933 6 C 4.2735 7.4794 118.3828 56.9360 32.9319 172.4046 7 L 4.0522 8.6141 129.4174 57.1782 41.7473 178.3826 8 L 3.9818 7.9203 120.1647 58.3544 42.0605 178.5898 9 C 4.0721 8.0198 115.9973 62.9941 28.0786 176.1979 10 R 3.9292 7.6956 119.1998 59.2810 29.6130 178.4590 11 Y 3.8856 8.3821 119.5625 60.8220 39.0234 178.2417 12 L 4.0586 8.3247 119.9724 57.5544 41.4702 179.4048 13 K 3.9906 8.3523 119.0195 59.7007 32.2382 178.4700 14 E 4.1136 8.1988 117.6636 58.5867 29.6147 178.5407 15 R 4.4522 7.7242 116.3592 55.8066 30.3858 177.9599 16 Q 4.0266 7.5481 119.6698 59.7502 28.3969 178.7428 17 E 4.0168 8.1554 120.2185 58.7878 29.5313 179.1522 18 K 3.9985 8.0266 119.2071 59.3534 32.3624 178.2825 19 F 4.0745 8.8740 121.3251 61.6375 39.2122 177.2497 20 I 4.0168 8.1047 119.3182 64.3907 36.6783 178.2993 21 S 4.1432 8.1061 113.1452 61.5302 62.4040 175.4761 22 D 4.4285 8.3246 120.7451 56.9676 40.8832 177.9178 23 W 4.0645 8.2610 128.9867 60.4456 30.5130 177.7545 24 K 3.4250 8.2308 118.3679 59.3436 31.6032 178.3402 25 K 4.1218 7.5742 117.2213 57.7314 32.1390 177.5682 26 K 4.3672 7.8278 116.8624 55.9688 33.5473 176.5714 27 V 4.0234 7.0455 111.8007 59.8978 32.9309 176.0585 28 I 4.0542 8.5823 123.5378 60.3691 35.9861 176.0040 29 I 4.4760 7.7952 125.7404 59.7342 40.5281 175.3658 30 R 4.5709 8.3259 124.4017 54.4290 31.6961 177.5585 31 E 3.9863 8.6947 120.5538 59.3640 29.5819 178.5567 32 R 4.0697 7.8431 112.9817 57.1112 30.3118 176.0423 33 D 4.4453 8.1489 121.1961 53.5451 41.3828 175.1183 34 P 4.2812 0.0000 0.0000 65.0219 31.7284 176.3987 35 Y 4.7793 8.5102 117.8019 57.1301 38.8522 177.7077 36 K 3.9681 8.1864 122.9034 60.6666 32.4526 178.2027 37 E 4.0616 8.1784 119.0477 59.0805 29.4701 178.9733 38 E 4.1561 8.3434 118.2770 59.1858 29.5682 179.0688 39 I 3.8698 8.0317 120.1442 64.6518 37.1578 178.4874 40 I 4.1405 7.5760 119.8832 64.4739 36.9463 178.6834 41 K 4.4381 8.0405 120.3272 59.0724 31.7868 179.1307 42 N 4.5260 9.0982 117.2879 56.2570 38.4569 177.6406 43 G 3.4410 8.4627 107.1074 47.7893 0.0000 175.5545 44 E 3.9729 8.4392 121.3793 59.3130 29.4791 178.9740 45 H 4.2072 8.4165 118.2094 59.4574 29.9603 177.4014 46 L 4.0553 8.3172 120.9129 57.2723 41.3799 179.2449 47 L 3.8114 8.0137 120.7772 58.1696 42.0238 179.1179 48 S 4.0706 7.9574 114.5657 61.5718 62.6614 176.6041 49 A 4.0071 8.0647 123.5303 54.9498 18.0171 179.3537 50 F 2.9798 8.3405 119.5945 61.1378 39.3026 177.4403 51 I 3.3479 7.5683 119.2580 64.6456 36.8565 178.3747 52 M 4.0123 7.9636 119.4418 58.3894 31.6867 178.2890 53 Y 4.0805 8.0743 120.0573 60.6625 38.7868 177.8495 54 L 3.5985 7.4083 118.9963 57.3945 41.7332 178.8402 55 K 4.1083 7.5577 115.2347 55.7041 32.2123 176.6184 56 E 3.6201 7.6362 117.7243 57.5825 27.2816 175.1593 57 E 4.4151 8.4273 119.2435 56.6267 30.5310 176.2681 58 I 4.8535 7.4083 110.5878 58.9138 41.0358 174.5257 59 S 4.9010 8.6051 115.7734 56.7106 65.0280 175.3448 60 L 3.6983 8.3207 120.9901 57.8421 41.1503 179.4207 61 Q 4.1242 7.3982 120.5482 58.4618 28.6387 178.0955 62 E 4.1494 7.9977 118.3340 57.9011 29.8525 177.9484 63 I 4.1749 7.4675 112.4905 61.3355 37.8632 177.3922 64 E 3.8747 7.9397 121.7653 59.5339 29.3220 178.7507 65 I 3.6755 7.6826 118.2698 64.4336 37.9905 177.9784 66 T 3.9210 7.8296 116.1357 66.6130 68.3181 176.6662 67 S 4.0707 8.0667 117.1369 61.6269 62.8660 177.0027 68 K 4.0799 8.0618 122.4575 58.5557 31.7568 179.3673 69 K 3.8378 7.9231 119.7035 59.5188 32.0987 178.7576 70 I 3.5726 7.9566 120.1483 64.4073 37.0468 178.1327 71 A 3.9937 7.9707 121.4420 55.2379 18.1852 179.5844 72 R 3.7546 7.9396 117.0449 59.6460 30.0836 178.6337 73 E 3.5384 7.9963 118.2982 59.3283 28.9179 179.5802 74 R 4.0291 8.3815 118.5348 59.1414 30.1209 179.1090 75 I 3.6578 8.0005 119.6832 64.7298 36.9286 178.3043 76 D 4.4563 8.0013 117.8910 57.1450 40.7279 178.2850 77 A 4.2096 8.2251 119.9759 52.4075 18.4831 177.5712 78 K 3.8858 7.7014 115.2617 57.5124 30.2406 176.0302 79 V 4.2647 7.0438 110.6423 59.4057 33.4567 175.7214 80 N 4.3469 8.4496 120.3834 53.6185 38.7626 175.7969 81 I 3.5218 8.1607 125.0401 63.4509 37.8469 177.4151 82 A 4.1210 8.6340 121.8383 54.8994 17.9962 179.3142 83 E 3.9059 8.3745 117.8498 59.4106 29.4003 179.0204 84 F 4.2201 7.9990 119.9295 61.3804 39.3470 177.1852 85 I 3.2176 7.6630 118.7539 64.4846 36.9895 177.5077 86 H 4.0206 8.3673 119.1737 59.6030 29.4125 177.0247 87 N 4.3858 8.4841 118.3901 56.4985 38.3236 177.6848 88 T 4.0716 7.9950 117.4973 66.7846 68.4581 176.5921 89 N 4.1931 8.3385 118.6693 56.0066 38.5373 177.5830 90 V 3.5011 7.8112 119.6421 65.9024 31.5252 177.9460 91 A 4.0847 7.8357 119.0804 55.0442 18.1742 179.4877 92 K 3.0426 7.5380 118.0469 59.4121 32.0642 178.9753 93 I 3.6016 7.8021 120.3527 64.4320 36.9525 178.0883 94 E 3.9404 8.1273 119.8599 59.1899 29.3759 178.7998 95 I 3.7684 8.1141 120.1616 64.7765 37.1796 178.2817 96 M 4.0687 8.2626 119.5959 58.4283 31.7470 178.5627 97 N 4.3718 8.3563 116.7982 56.3993 38.7375 177.5525 98 I 3.5643 7.9888 121.3082 64.0968 36.9270 178.1555 99 L 3.9656 7.9108 120.3218 58.5550 42.2766 178.8515 100 T 4.0974 8.1040 115.5600 66.7883 68.1787 176.6992 101 L 4.0580 7.7573 119.7488 57.5396 41.7301 179.0869 102 L 4.0381 7.8208 117.3915 54.9576 42.1367 176.0705 103 N 4.1168 7.9685 116.0362 53.8558 37.3416 171.9414 104 P 4.5467 0.0000 0.0000 61.9993 32.7943 175.9198 105 D 4.6707 8.2720 119.4383 52.3726 41.7429 176.9368 106 L 3.9505 8.3531 120.4762 58.3587 41.9546 178.3988 107 Q 3.9630 8.0947 118.8475 59.4237 29.0481 178.0912 108 Q 3.9503 8.4344 120.4557 59.1663 29.0068 177.3079 109 Y 4.0413 8.3442 120.8513 60.9460 38.8439 178.2160 110 Q 3.9658 8.6897 119.0532 58.9287 28.7780 178.7408 111 A 3.9704 7.9862 121.7490 55.1802 18.3883 179.7611 112 L 3.9095 7.9814 117.5246 57.6647 41.6195 179.6360 113 V 3.4593 7.7441 118.5606 65.8376 31.2846 177.8916 114 K 3.9230 7.9511 119.1326 59.6407 32.0379 178.8900 115 K 4.1812 7.9060 118.2553 59.4671 31.9585 179.3859 116 I 4.2305 8.3723 120.5286 64.7342 37.0545 178.2184 117 N 4.5222 8.6416 117.5047 56.5171 38.3931 177.4766 118 Q 4.0703 8.5270 119.5977 58.9129 28.8121 178.6528 119 F 3.6269 8.5383 121.5233 61.4451 39.4484 177.2945 120 F 4.1588 8.5794 117.3379 60.4737 38.6150 177.5242 121 D 4.4637 8.7241 119.1429 57.6562 40.5764 178.3430 122 H 4.2876 8.2565 118.7402 59.0942 29.9654 176.9684 123 L 3.8881 7.8362 122.1726 58.2407 41.9095 179.1046 124 I 4.0824 8.1099 119.6843 64.6248 37.0487 177.6127 125 Y 4.0542 8.3641 120.5716 61.2547 38.5813 178.0463 126 Y 3.4079 8.5253 117.7901 60.9146 37.7829 178.6876 127 T 3.7388 7.8775 116.6670 66.5240 68.5473 177.0629 128 V 3.5231 7.8252 120.1772 66.0679 31.5297 177.2946 129 H 3.7641 8.0417 118.3664 59.4614 29.4174 177.1640 130 S 4.0738 8.1842 114.8691 61.2296 62.1636 175.1995 131 Y 3.9777 8.1974 122.6102 61.0073 38.6149 177.7859 132 Y 3.9250 8.1649 120.2108 60.7131 38.6886 177.6567 133 E 4.0066 8.1714 118.5485 59.5732 29.6383 179.0819 134 Q 4.0396 8.1705 117.5042 58.3976 28.8562 178.0880 135 K 3.7280 7.5327 119.8417 57.0204 32.2371 176.4530 136 A 3.7654 7.3581 125.5568 52.1690 19.1865 177.3771 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 5 K 8.31 4.16 0.00 1.70 1.83 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.42 7.81 6 C 7.48 4.27 0.00 2.99 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 7 L 8.61 4.05 0.00 1.75 1.75 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.92 3.98 0.00 1.76 1.66 0.95 1.11 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 9 C 8.02 4.07 0.00 3.14 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.70 3.93 0.00 2.01 2.00 0.00 3.29 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 11 Y 8.38 3.89 0.00 3.20 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 12 L 8.32 4.06 0.00 1.76 1.63 1.04 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.35 3.99 0.00 1.79 1.94 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.51 7.81 14 E 8.20 4.11 0.00 2.07 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 2.40 2.43 0.00 15 R 7.72 4.45 0.00 1.67 1.84 0.00 3.16 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.00 16 Q 7.55 4.03 0.00 2.40 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 17 E 8.16 4.02 0.00 2.06 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 2.44 2.39 0.00 18 K 8.03 4.00 0.00 1.90 2.03 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.63 7.81 19 F 8.87 4.07 0.00 3.14 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 20 I 8.10 4.02 2.03 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.84 1.19 0.00 0.00 21 S 8.11 4.14 0.00 4.10 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 22 D 8.32 4.43 0.00 2.81 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 23 W 8.26 4.06 0.00 3.11 3.38 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 24 K 8.23 3.42 0.00 1.99 2.02 0.00 1.91 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.40 7.81 25 K 7.57 4.12 0.00 1.75 1.81 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.73 1.60 7.81 26 K 7.83 4.37 0.00 1.69 1.73 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.30 7.81 27 V 7.05 4.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.30 0.00 0.00 28 I 8.58 4.05 1.83 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.34 0.92 0.00 0.00 29 I 7.80 4.48 1.78 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.37 0.90 0.00 0.00 30 R 8.33 4.57 0.00 1.86 1.82 0.00 3.13 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 31 E 8.69 3.99 0.00 1.94 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 2.30 2.24 0.00 32 R 7.84 4.07 0.00 1.91 2.04 0.00 3.04 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 33 D 8.15 4.45 0.00 2.81 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 34 P 0.00 4.28 0.00 1.82 2.05 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 35 Y 8.51 4.78 0.00 3.13 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 36 K 8.19 3.97 0.00 2.04 2.12 0.00 1.32 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.44 1.52 7.81 37 E 8.18 4.06 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 38 E 8.34 4.16 0.00 2.39 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 2.65 2.67 0.00 39 I 8.03 3.87 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.99 1.12 0.00 0.00 40 I 7.58 4.14 2.13 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 1.80 0.96 1.09 0.00 0.00 41 K 8.04 4.44 0.00 2.04 1.93 0.00 1.95 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.56 7.81 42 N 9.10 4.53 0.00 3.01 2.99 0.00 0.00 6.91 7.80 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 43 G 8.46 3.44 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 0.00 0.00 0.00 0.00 44 E 8.44 3.97 0.00 2.25 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 0.00 2.40 2.55 0.00 45 H 8.42 4.21 0.00 3.27 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.32 4.06 0.00 1.82 1.84 1.03 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.01 3.81 0.00 1.65 1.71 0.41 0.60 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 48 S 7.96 4.07 0.00 4.09 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 49 A 8.06 4.01 1.41 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 50 F 8.34 2.98 0.00 1.94 2.86 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 51 I 7.57 3.35 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.53 0.82 0.00 0.00 52 M 7.96 4.01 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.51 0.00 53 Y 8.07 4.08 0.00 3.14 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.41 3.60 0.00 1.41 1.42 0.39 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.56 4.11 0.00 1.76 1.75 0.00 1.76 0.00 0.00 1.62 0.00 0.00 3.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.42 7.81 56 E 7.64 3.62 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.21 0.00 57 E 8.43 4.42 0.00 2.01 1.97 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 2.23 2.35 0.00 58 I 7.41 4.85 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.85 0.94 0.00 0.00 59 S 8.61 4.90 0.00 4.05 4.04 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 60 L 8.32 3.70 0.00 1.39 1.24 0.75 -0.23 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 61 Q 7.40 4.12 0.00 1.82 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 62 E 8.00 4.15 0.00 2.13 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 2.33 2.30 0.00 63 I 7.47 4.17 1.74 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.62 0.87 0.00 0.00 64 E 7.94 3.87 0.00 2.04 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 0.00 1.57 1.96 0.00 65 I 7.68 3.68 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.21 0.91 0.00 0.00 66 T 7.83 3.92 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 1.28 0.00 0.00 67 S 8.07 4.07 0.00 4.06 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 68 K 8.06 4.08 0.00 1.95 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.51 7.81 69 K 7.92 3.84 0.00 1.82 1.96 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.40 7.81 70 I 7.96 3.57 1.83 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 1.49 0.65 0.63 0.00 0.00 71 A 7.97 3.99 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 72 R 7.94 3.75 0.00 2.01 1.99 0.00 3.27 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 73 E 8.00 3.54 0.00 2.00 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 1.47 1.87 0.00 74 R 8.38 4.03 0.00 2.11 2.08 0.00 3.41 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 75 I 8.00 3.66 1.94 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.57 0.79 0.00 0.00 76 D 8.00 4.46 0.00 3.04 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.23 4.21 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.70 3.89 0.00 1.99 1.95 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.61 7.81 79 V 7.04 4.26 2.25 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 0.73 0.00 0.00 0.99 0.00 0.00 80 N 8.45 4.35 0.00 2.72 2.69 0.00 0.00 6.53 7.89 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 81 I 8.16 3.52 0.56 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.90 0.59 0.00 0.00 82 A 8.63 4.12 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 83 E 8.37 3.91 0.00 2.15 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 0.00 2.31 2.39 0.00 84 F 8.00 4.22 0.00 3.23 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 85 I 7.66 3.22 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.84 0.87 0.00 0.00 86 H 8.37 4.02 0.00 3.15 3.47 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 N 8.48 4.39 0.00 2.97 3.00 0.00 0.00 7.10 7.16 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 88 T 7.99 4.07 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 1.40 0.00 0.00 89 N 8.34 4.19 0.00 2.80 2.77 0.00 0.00 6.69 8.07 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 90 V 7.81 3.50 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 1.04 0.00 0.00 0.75 0.00 0.00 91 A 7.84 4.08 1.34 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 92 K 7.54 3.04 0.00 0.79 1.46 0.00 1.38 0.00 0.00 1.46 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.11 0.76 7.81 93 I 7.80 3.60 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.88 0.00 0.00 94 E 8.13 3.94 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 2.08 2.51 0.00 95 I 8.11 3.77 1.88 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.62 0.90 0.00 0.00 96 M 8.26 4.07 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.79 0.00 97 N 8.36 4.37 0.00 2.92 2.87 0.00 0.00 7.02 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 98 I 7.99 3.56 1.95 0.00 0.00 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 1.24 1.16 0.29 0.00 0.00 99 L 7.91 3.97 0.00 1.71 1.95 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.10 4.10 4.40 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 1.19 0.00 0.00 101 L 7.76 4.06 0.00 1.70 1.69 0.91 1.01 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 0.00 102 L 7.82 4.04 0.00 1.77 1.72 0.86 0.78 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 0.00 103 N 7.97 4.12 0.00 2.97 2.88 0.00 0.00 7.18 7.86 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 0.00 104 P 0.00 4.55 0.00 2.32 2.11 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 105 D 8.27 4.67 0.00 2.98 2.86 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 0.00 106 L 8.35 3.95 0.00 1.78 1.73 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 8.09 3.96 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 108 Q 8.43 3.95 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 109 Y 8.34 4.04 0.00 3.19 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 0.00 110 Q 8.69 3.97 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.70 0.00 111 A 7.99 3.97 1.34 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 0.00 112 L 7.98 3.91 0.00 1.60 1.66 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.74 3.46 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.28 0.00 0.00 114 K 7.95 3.92 0.00 1.89 1.96 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.52 7.81 115 K 7.91 4.18 0.00 1.95 1.84 0.00 1.56 0.00 0.00 1.32 0.00 0.00 2.64 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.55 7.81 116 I 8.37 4.23 2.14 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 1.98 1.28 1.11 0.00 0.00 117 N 8.64 4.52 0.00 3.01 2.95 0.00 0.00 7.10 8.00 0.00 0.00 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 Q 8.53 4.07 0.00 2.47 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 119 F 8.54 3.63 0.00 3.18 3.17 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 0.00 120 F 8.58 4.16 0.00 3.35 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 0.00 121 D 8.72 4.46 0.00 2.79 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 0.00 122 H 8.26 4.29 0.00 3.30 3.20 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.84 3.89 0.00 1.39 1.74 0.97 1.00 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 0.00 124 I 8.11 4.08 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.75 1.04 0.00 0.00 125 Y 8.36 4.05 0.00 3.11 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 0.00 126 Y 8.53 3.41 0.00 3.13 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 0.00 127 T 7.88 3.74 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 128 V 7.83 3.52 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 0.99 0.00 0.00 1.07 0.00 0.00 129 H 8.04 3.76 0.00 2.39 2.89 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.18 4.07 0.00 3.99 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 0.00 131 Y 8.20 3.98 0.00 3.13 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 0.00 132 Y 8.16 3.92 0.00 3.20 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.17 4.01 0.00 1.96 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 0.00 2.37 2.46 0.00 134 Q 8.17 4.04 0.00 1.87 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 135 K 7.53 3.73 0.00 1.36 1.44 0.00 1.26 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 1.17 7.81 136 A 7.36 3.77 1.26 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 0.00 0.00