NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0009 8.0549 120.3914 62.2967 32.1511 174.9351 2 L 4.0999 8.4155 128.6106 52.6095 41.9419 176.4563 3 S 4.4396 9.6916 120.9071 57.0112 66.1838 172.9478 4 P 4.1564 0.0000 0.0000 65.9172 30.9488 178.5650 5 A 3.9448 7.9531 118.5778 55.3240 17.9460 178.9198 6 D 4.7096 8.0339 118.6698 56.9665 40.8970 179.5466 7 K 3.9022 8.2409 118.8212 59.6549 32.0461 179.4319 8 T 3.8203 8.1506 116.3239 66.7189 68.3693 176.1807 9 N 4.2666 8.3844 118.4894 56.4191 38.5232 177.3872 10 I 3.5519 7.9793 121.2370 64.3556 37.1483 178.6984 11 K 3.9441 8.2138 119.7269 59.5194 31.8395 179.6835 12 S 4.2147 8.5914 114.9349 61.6336 62.7999 176.5358 13 T 3.8853 8.1441 119.4212 66.3736 68.2924 176.3671 14 W 3.7953 8.7521 130.3837 60.2543 30.4421 177.7680 15 D 4.3660 8.3765 118.8430 57.2118 40.3678 178.3460 16 K 4.0795 8.0817 119.4277 59.4883 32.4915 178.6990 17 I 3.8234 8.1510 113.8513 61.6710 37.7041 177.4070 18 G 3.5878 8.4730 109.7010 46.5546 0.0000 175.5244 19 G 3.7331 8.5736 112.6411 46.6908 0.0000 173.8821 20 H 4.0079 8.0399 117.6082 56.7474 28.5505 176.9494 21 A 3.7034 7.2338 123.9648 55.0948 18.1816 179.6373 22 G 3.6153 7.9382 103.2607 48.2646 0.0000 175.3089 23 D 4.4094 7.8921 121.3890 57.2384 40.9239 178.4620 24 Y 4.4648 8.2815 117.6253 60.9320 37.7644 178.8374 25 G 3.8032 8.4507 107.1919 47.7196 0.0000 176.0756 26 G 3.5635 8.0116 107.7019 47.4395 0.0000 175.3245 27 E 3.8974 8.6119 122.4058 58.9860 29.6333 178.7115 28 A 3.9707 8.3866 122.2728 54.5009 18.3801 179.6683 29 L 3.3107 7.7375 117.3573 57.6151 41.5839 178.9518 30 D 4.3855 8.1745 118.3454 57.7342 41.0623 178.7699 31 R 3.8498 8.4683 118.5515 59.3660 29.7183 179.3276 32 T 4.0149 7.7008 115.5069 66.7555 68.6122 176.6881 33 F 4.6014 8.2146 119.9641 60.9829 38.7144 177.8811 34 Q 4.0474 8.1659 116.5380 59.0468 28.7109 178.4522 35 S 4.0312 8.1411 115.5004 59.9478 64.2884 174.8353 36 F 5.0489 8.4335 119.6674 54.2479 39.3935 173.5863 37 P 4.9971 0.0000 0.0000 64.7310 31.5917 178.1070 38 T 4.0468 8.1404 108.7652 64.7325 68.5891 176.3285 39 T 4.3281 8.5887 112.9976 64.5860 68.6146 176.4460 40 K 3.7633 8.3509 121.7161 59.0745 31.7721 178.4247 41 T 4.1079 7.7547 108.2667 63.2847 69.0726 175.4432 42 Y 4.0361 7.8803 118.5198 58.6462 39.4961 175.0950 43 F 4.6181 8.1417 118.9984 55.7102 39.2626 174.7555 44 P 4.3943 0.0000 0.0000 65.3874 31.9080 177.6283 45 H 4.5929 8.3840 112.9429 56.6110 29.1906 175.0750 46 F 4.8608 7.8094 119.9888 56.1648 39.8602 175.0045 47 D 4.4384 9.3938 125.7115 54.5469 41.1889 175.8220 48 L 4.6447 8.3536 125.2568 54.3023 42.5981 176.6835 49 S 4.3492 8.0678 114.7522 57.0735 63.5704 171.8494 50 P 4.2734 0.0000 0.0000 64.5048 31.3584 176.5901 51 G 3.8849 8.8561 108.9990 46.4619 0.0000 173.9272 52 S 4.0061 7.7460 113.3027 58.7394 63.4058 175.1200 53 A 4.0047 8.5849 130.4418 55.2215 18.2360 179.6396 54 Q 3.5764 7.7384 116.2853 58.8343 28.7197 178.8523 55 V 3.7821 7.7442 119.2743 65.7800 31.6070 177.8470 56 K 3.8576 8.1243 119.0879 59.6248 32.2219 178.4557 57 A 4.0050 8.4750 121.2155 55.5854 18.2004 179.1359 58 H 4.4343 8.9147 117.2886 59.3044 30.0085 177.6650 59 G 3.6401 8.8737 108.0439 47.5438 0.0000 175.5059 60 K 3.9410 8.1397 121.8253 59.2731 32.2599 178.9721 61 K 3.9653 7.9241 118.2496 59.4874 32.0556 179.2876 62 V 3.5963 8.0091 118.4496 66.0693 31.3551 177.5313 63 A 4.2395 8.4824 120.6649 55.7460 18.1503 179.4033 64 D 4.4027 8.4959 116.9944 57.4787 40.8015 178.9043 65 A 4.0991 8.2417 121.3183 55.2189 18.4074 179.7456 66 L 4.0432 8.2994 117.5505 58.1023 41.7341 179.8959 67 T 3.8782 8.6121 116.1699 66.9525 68.2537 176.5754 68 T 3.9257 8.1748 116.5413 66.8359 68.7427 175.9887 69 A 4.1894 8.2436 122.5823 55.2688 18.2237 179.7860 70 V 3.0567 7.9268 115.7137 65.8763 31.5589 177.6873 71 A 4.1140 7.7570 118.5107 53.7341 19.0961 176.8779 72 H 5.0746 8.3609 115.6219 54.8088 29.8658 175.4683 73 L 4.0470 8.0073 120.4163 57.6532 42.0694 179.1048 74 D 4.4556 8.0569 117.3744 55.9355 40.1269 176.2613 75 D 4.7743 8.1666 118.7613 51.8163 41.6877 175.5973 76 L 4.0198 7.9535 123.9660 57.5680 41.9992 177.3703 77 P 4.3141 0.0000 0.0000 65.6954 31.1662 178.5753 78 G 3.7904 8.5938 105.3199 47.2706 0.0000 175.6232 79 A 4.1360 8.1347 122.6235 53.8370 18.5094 178.1944 80 L 4.6374 7.7151 114.8764 54.5111 42.9979 178.2672 81 S 3.9899 7.9096 114.0414 61.5189 62.2542 175.8958 82 A 4.0056 8.0590 122.7787 55.5741 18.0768 179.5530 83 L 4.0996 7.9021 116.4964 57.6920 41.6684 179.7266 84 S 4.1161 8.3231 115.9208 61.6358 62.7021 176.4279 85 D 4.0067 7.9208 121.3040 57.0439 40.5365 178.3706 86 L 3.9378 7.9151 120.7697 58.8024 42.0439 178.9305 87 H 4.1686 8.3797 115.7154 58.4611 28.5085 177.7531 88 A 3.8924 7.6935 123.8457 54.4501 18.1827 179.3537 89 Y 4.3815 7.7115 113.9940 60.8494 38.4303 177.2071 90 K 4.2544 8.1592 118.7768 58.5467 32.7991 177.4200 91 L 4.2275 8.2687 117.0957 54.9685 42.2934 176.8020 92 R 4.3616 8.0864 115.7149 55.8006 27.6124 176.9409 93 V 3.7347 8.1729 116.8127 62.4395 32.3076 174.9034 94 D 4.4033 9.4411 127.9633 54.0260 41.5573 174.9667 95 P 4.4888 0.0000 0.0000 66.3516 31.1544 178.7799 96 V 3.6488 8.3095 110.8736 64.5087 31.3109 178.3179 97 N 4.2922 8.4497 116.5270 55.9735 38.2018 177.4232 98 F 3.8798 7.9569 119.6424 60.3212 38.9069 177.8057 99 K 4.0518 7.9968 118.0755 59.2051 31.8026 179.4330 100 L 3.5387 7.5767 118.7909 57.6542 41.6110 179.1949 101 L 3.9638 7.8328 121.6776 57.5459 41.8904 179.1526 102 S 3.7570 8.3612 115.6062 61.6638 62.7234 175.8789 103 H 4.1836 8.5886 121.3255 59.8718 29.5247 177.0921 104 C 4.0858 8.1965 118.1625 62.3998 27.7927 176.1245 105 L 3.8224 8.2468 121.1506 57.6067 41.1365 179.3463 106 L 4.2285 8.0337 118.9740 57.9333 41.5804 179.6138 107 V 3.3105 7.8534 118.2962 66.3302 31.3231 178.0108 108 T 3.6404 7.8148 115.2519 66.6837 68.2121 176.5493 109 L 3.8844 8.1164 120.8404 57.7117 41.4309 179.5004 110 A 3.2638 7.4934 119.9102 54.9828 18.1574 179.2086 111 C 4.0167 7.8414 114.9597 62.4624 28.1733 175.0409 112 H 4.5362 7.3269 115.9091 55.8197 30.8991 174.9770 113 H 4.9635 8.1163 117.4674 52.9415 29.1915 171.8512 114 P 4.3130 0.0000 0.0000 66.2514 31.7447 178.8638 115 T 4.0629 8.0599 114.2294 66.4055 68.4434 175.4610 116 E 4.1275 8.1775 118.8316 58.7304 30.3495 177.1660 117 F 4.4901 7.8335 123.1561 57.4984 38.3949 175.2694 118 T 4.2095 7.2695 113.7830 60.6460 71.3493 173.1745 119 P 4.0902 0.0000 0.0000 65.9188 31.3122 178.7696 120 A 3.9113 7.8481 118.7722 55.1802 18.3616 179.7301 121 V 3.4910 7.6219 116.4477 65.9567 31.5588 177.5382 122 H 3.5368 8.0301 118.2796 59.1744 29.5094 176.8392 123 A 3.9663 8.0803 122.5140 55.3837 18.2978 179.8177 124 S 4.2383 8.0337 114.7756 61.1968 62.9436 176.9274 125 L 3.8354 8.3894 121.9924 57.6650 41.3785 178.8047 126 D 4.5258 8.6041 118.3702 57.6594 41.0755 178.6695 127 K 3.9725 8.2747 118.8329 59.3341 31.9575 178.8524 128 F 4.2362 8.6465 121.1499 61.7192 39.2051 177.3421 129 F 4.1826 8.2479 117.4008 60.7653 38.6294 177.9547 130 T 3.9294 8.2500 115.4508 66.3503 68.2006 176.7736 131 A 3.9488 8.1195 123.0707 54.9332 18.4148 179.8012 132 V 3.3556 7.6930 116.8984 66.2414 31.5979 178.3596 133 S 3.8338 8.2426 115.1164 61.8104 62.4315 176.8041 134 T 3.7312 7.8687 117.5719 66.7157 68.5132 176.5311 135 V 3.6211 7.5891 120.0036 65.8698 31.3504 177.9513 136 L 3.9773 7.9952 117.9029 56.4512 41.6340 178.3252 137 T 4.1458 7.1046 108.8396 61.2150 69.0979 176.2657 138 S 4.1051 7.6544 118.1677 61.1352 63.1839 175.7865 139 K 4.0878 7.3752 118.2014 57.2150 31.9994 176.9426 140 Y 4.6317 7.6297 117.8661 58.7638 38.5031 175.9346 141 R 4.2579 7.7480 121.0427 56.1148 29.5613 175.3258 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 V 8.05 4.00 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 0.98 0.00 0.00 0.92 0.00 0.00 2 L 8.42 4.10 0.00 1.75 1.58 0.99 0.70 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 3 S 9.69 4.44 0.00 4.05 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 4 P 0.00 4.16 0.00 2.15 2.15 0.00 3.59 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 2.11 2.16 0.00 5 A 7.95 3.94 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 6 D 8.03 4.71 0.00 2.91 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.24 3.90 0.00 1.88 1.78 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.39 1.60 7.81 8 T 8.15 3.82 4.38 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 1.19 0.00 0.00 9 N 8.38 4.27 0.00 2.87 2.83 0.00 0.00 7.08 7.04 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 10 I 7.98 3.55 1.64 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.59 -0.31 0.00 0.00 11 K 8.21 3.94 0.00 1.76 1.83 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.45 7.81 12 S 8.59 4.21 0.00 4.01 4.16 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 13 T 8.14 3.89 4.65 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 1.42 0.00 0.00 14 W 8.75 3.80 0.00 3.55 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 15 D 8.38 4.37 0.00 2.80 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 16 K 8.08 4.08 0.00 1.83 1.90 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.57 1.40 7.81 17 I 8.15 3.82 1.79 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 -0.10 0.84 0.00 0.00 18 G 8.47 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 19 G 8.57 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 20 H 8.04 4.01 0.00 2.35 1.66 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.23 3.70 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.94 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 23 D 7.89 4.41 0.00 2.76 2.78 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 24 Y 8.28 4.46 0.00 3.00 2.83 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 0.00 0.00 0.00 0.00 25 G 8.45 3.80 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 0.00 0.00 0.00 26 G 8.01 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 27 E 8.61 3.90 0.00 2.05 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 2.25 2.31 0.00 28 A 8.39 3.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.74 3.31 0.00 1.69 0.99 1.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.17 4.39 0.00 2.88 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 31 R 8.47 3.85 0.00 1.90 1.88 0.00 3.07 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.84 0.00 32 T 7.70 4.01 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 1.27 0.00 0.00 33 F 8.21 4.60 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 34 Q 8.17 4.05 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 35 S 8.14 4.03 0.00 3.43 2.63 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 36 F 8.43 5.05 0.00 3.17 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 37 P 0.00 5.00 0.00 2.21 2.15 0.00 3.96 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 38 T 8.14 4.05 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 1.27 0.00 0.00 39 T 8.59 4.33 4.55 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 1.34 0.00 0.00 40 K 8.35 3.76 0.00 1.92 1.74 0.00 1.51 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.26 1.69 7.81 41 T 7.75 4.11 4.11 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 1.19 0.00 0.00 42 Y 7.88 4.04 0.00 2.98 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.14 4.62 0.00 2.65 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 44 P 0.00 4.39 0.00 2.19 2.17 0.00 3.84 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.91 0.00 45 H 8.38 4.59 0.00 3.44 3.50 0.00 5.52 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 46 F 7.81 4.86 0.00 3.06 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 47 D 9.39 4.44 0.00 2.55 2.62 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 48 L 8.35 4.64 0.00 1.54 1.47 0.49 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.07 4.35 0.00 4.03 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.27 0.00 2.06 2.06 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 51 G 8.86 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 0.00 0.00 0.00 52 S 7.75 4.01 0.00 4.03 3.80 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 53 A 8.58 4.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.74 3.58 0.00 1.58 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.86 0.00 0.00 0.00 0.00 0.00 1.89 2.12 0.00 55 V 7.74 3.78 2.15 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 1.13 0.00 0.00 1.19 0.00 0.00 56 K 8.12 3.86 0.00 1.88 1.93 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 57 A 8.47 4.00 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 58 H 8.91 4.43 0.00 3.75 3.73 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.87 3.64 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 0.00 0.00 0.00 60 K 8.14 3.94 0.00 2.02 1.97 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.49 7.81 61 K 7.92 3.97 0.00 2.04 1.92 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.72 7.81 62 V 8.01 3.60 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 1.04 0.00 0.00 0.93 0.00 0.00 63 A 8.48 4.24 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.50 4.40 0.00 2.97 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 65 A 8.24 4.10 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 66 L 8.30 4.04 0.00 2.35 1.97 1.25 0.54 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 67 T 8.61 3.88 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 1.37 0.00 0.00 68 T 8.17 3.93 4.49 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 1.28 0.00 0.00 69 A 8.24 4.19 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 70 V 7.93 3.06 1.72 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 0.55 0.00 0.00 -0.54 0.00 0.00 71 A 7.76 4.11 1.19 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 0.00 0.00 0.00 72 H 8.36 5.07 0.00 3.12 3.20 0.00 5.63 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 73 L 8.01 4.05 0.00 1.56 1.69 0.69 0.99 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 74 D 8.06 4.46 0.00 2.78 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 75 D 8.17 4.77 0.00 2.71 2.53 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 0.00 0.00 0.00 0.00 76 L 7.95 4.02 0.00 1.71 1.68 0.96 1.15 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 77 P 0.00 4.31 0.00 1.99 2.10 0.00 3.60 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 2.01 2.13 0.00 78 G 8.59 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 0.00 0.00 0.00 79 A 8.13 4.14 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 80 L 7.72 4.64 0.00 1.74 1.59 0.86 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.91 3.99 0.00 4.08 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 82 A 8.06 4.01 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 83 L 7.90 4.10 0.00 1.85 1.80 0.97 1.03 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 84 S 8.32 4.12 0.00 3.81 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 4.01 0.00 3.00 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 86 L 7.92 3.94 0.00 1.79 1.86 0.92 0.87 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 87 H 8.38 4.17 0.00 3.50 3.60 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.69 3.89 0.23 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 0.00 0.00 89 Y 7.71 4.38 0.00 3.15 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 90 K 8.16 4.25 0.00 1.75 1.98 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.46 7.81 91 L 8.27 4.23 0.00 1.81 1.72 0.68 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.09 4.36 0.00 2.02 2.11 0.00 3.57 0.00 0.00 2.31 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.97 0.00 93 V 8.17 3.73 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 0.14 0.00 0.00 0.81 0.00 0.00 94 D 9.44 4.40 0.00 2.84 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 95 P 0.00 4.49 0.00 2.20 2.16 0.00 3.55 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 1.98 2.15 0.00 96 V 8.31 3.65 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 1.11 0.00 0.00 1.01 0.00 0.00 97 N 8.45 4.29 0.00 2.51 2.54 0.00 0.00 6.93 8.65 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 98 F 7.96 3.88 0.00 3.23 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 99 K 8.00 4.05 0.00 1.81 1.83 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.51 7.81 100 L 7.58 3.54 0.00 1.57 1.03 0.69 -0.39 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 0.00 101 L 7.83 3.96 0.00 1.56 1.49 0.74 0.76 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 0.00 102 S 8.36 3.76 0.00 4.11 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 0.00 103 H 8.59 4.18 0.00 3.27 3.59 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 0.00 104 C 8.20 4.09 0.00 3.07 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 0.00 105 L 8.25 3.82 0.00 0.95 1.02 0.29 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.03 4.23 0.00 2.00 1.90 1.21 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.85 3.31 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 0.97 0.00 0.00 0.76 0.00 0.00 108 T 7.81 3.64 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 0.94 0.00 0.00 109 L 8.12 3.88 0.00 1.86 1.82 1.46 0.73 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 0.00 110 A 7.49 3.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.84 4.02 0.00 2.79 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 0.00 112 H 7.33 4.54 0.00 2.51 2.93 0.00 5.60 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.12 4.96 0.00 3.17 3.50 0.00 5.64 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.31 0.00 2.19 2.19 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 115 T 8.06 4.06 4.29 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 1.24 0.00 0.00 116 E 8.18 4.13 0.00 2.05 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 2.34 2.39 0.00 117 F 7.83 4.49 0.00 3.16 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 0.00 118 T 7.27 4.21 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 119 P 0.00 4.09 0.00 2.13 2.11 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 120 A 7.85 3.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.62 3.49 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 0.89 0.00 0.00 0.94 0.00 0.00 122 H 8.03 3.54 0.00 2.29 3.20 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.08 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 0.00 124 S 8.03 4.24 0.00 3.98 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 0.00 125 L 8.39 3.84 0.00 1.94 1.79 1.22 1.09 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 0.00 126 D 8.60 4.53 0.00 2.95 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 0.00 127 K 8.27 3.97 0.00 2.01 1.86 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.61 7.81 128 F 8.65 4.24 0.00 2.84 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 0.00 129 F 8.25 4.18 0.00 3.10 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 0.00 130 T 8.25 3.93 4.41 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 1.22 0.00 0.00 131 A 8.12 3.95 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 0.00 132 V 7.69 3.36 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 0.86 0.00 0.00 0.37 0.00 0.00 133 S 8.24 3.83 0.00 4.00 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 0.00 134 T 7.87 3.73 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 1.15 0.00 0.00 135 V 7.59 3.62 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 0.94 0.00 0.00 0.87 0.00 0.00 136 L 8.00 3.98 0.00 1.22 1.36 0.93 0.82 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 0.00 137 T 7.10 4.15 4.37 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 0.73 0.00 0.00 138 S 7.65 4.11 0.00 3.95 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.38 4.09 0.00 0.81 1.06 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.04 0.86 7.81 140 Y 7.63 4.63 0.00 3.16 2.87 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 0.00 141 R 7.75 4.26 0.00 1.90 1.88 0.00 3.08 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00