NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4521 8.3044 118.1953 55.2308 32.5591 174.3422 1 V 4.2296 7.8563 118.4062 60.8760 34.3249 173.3144 2 L 4.2885 8.3342 127.4605 54.1182 43.5646 176.7634 3 S 4.6036 8.5650 116.9901 57.4847 65.5938 175.0744 4 E 4.2989 8.7820 122.0521 59.4152 29.4316 178.9392 5 G 3.6070 8.0818 105.5145 47.6374 0.0000 175.5119 6 E 3.9337 8.0444 120.4360 59.0607 29.4744 179.3987 7 W 4.3191 8.1488 118.9762 59.9019 29.0622 178.6150 8 Q 4.2232 8.5716 118.4581 58.9776 28.0566 178.7790 9 L 4.1150 7.9804 119.7812 57.5802 41.5942 179.7693 10 V 3.7602 7.8145 118.3667 65.9757 31.6171 177.8815 11 L 4.3793 8.6754 118.1701 56.9759 41.1003 178.7067 12 H 4.3019 8.5333 119.4095 58.9966 29.8253 177.4342 13 V 3.4679 7.8961 120.7769 64.2650 31.4187 178.2283 14 W 3.9278 8.5990 128.8731 60.0732 30.2560 177.8015 15 A 3.9791 7.9486 120.1203 54.5854 17.9949 179.5829 16 K 3.9364 7.2782 117.1423 59.4725 32.1841 179.3720 17 V 2.8586 7.0985 118.4701 65.9503 31.0194 177.5532 18 E 3.9133 7.5228 115.0196 57.7986 29.2750 178.3185 19 A 4.2464 7.5330 120.7449 53.3950 20.2027 177.6494 20 D 4.6504 7.8265 116.8322 51.8873 42.4182 175.5078 21 V 3.4624 7.9074 122.9652 65.5641 32.0847 176.8265 22 A 4.0695 7.9657 120.2108 55.0143 18.2911 179.6996 23 G 3.8073 8.2774 105.6021 47.8254 0.0000 175.7657 24 H 4.2036 8.3620 118.9595 58.3672 28.6794 178.1846 25 G 3.5725 8.4508 108.0944 47.6083 0.0000 175.6007 26 Q 3.8124 8.1068 121.8441 59.0765 29.1188 177.9205 27 D 4.3104 7.9211 119.8644 57.4494 40.7649 179.0450 28 I 3.6284 7.7281 120.0230 64.4949 37.1188 178.7824 29 V 3.1230 7.5331 118.9981 65.7439 31.2042 178.1734 30 I 3.6350 7.6282 119.7325 64.0698 36.8365 178.2062 31 R 3.8073 7.9805 119.6936 59.2275 29.7795 178.2296 32 L 3.9140 7.9067 120.1320 58.4243 42.0040 179.0638 33 F 4.5303 7.9538 117.6918 60.4219 38.5242 178.0284 34 K 3.9766 8.3792 117.8833 59.5240 32.0240 179.2726 35 S 4.2947 8.0057 114.0323 60.6094 63.9578 175.1015 36 H 4.6434 8.0013 122.4046 52.6210 28.7591 172.6296 37 P 4.8945 0.0000 0.0000 64.3812 31.4056 177.5904 38 E 4.1451 8.2347 116.3548 59.1917 29.4388 178.9634 39 T 3.9017 8.4324 111.4139 64.2740 68.8236 176.3611 40 L 3.6926 7.9118 123.5485 57.8750 41.7374 178.6444 41 E 4.0781 7.9411 117.3962 58.9223 29.4296 178.8298 42 K 4.4454 8.0750 117.2119 57.0706 32.7788 177.4725 43 F 4.5423 8.4217 119.5810 55.7578 39.3230 175.9027 44 D 4.4445 8.5056 124.5477 56.8524 40.7434 177.7946 45 R 3.7895 7.7611 118.9425 58.5558 30.3179 176.8608 46 F 5.0354 7.4833 113.5617 56.9453 39.7935 177.0589 47 K 4.1449 7.9678 120.5238 59.0838 32.5531 178.0160 48 H 4.3729 8.2516 114.6082 57.5922 28.9675 175.8356 49 L 4.0275 7.3335 120.9906 55.1954 41.7504 176.8311 50 K 4.2912 9.3354 123.4565 57.2707 33.5398 176.7662 51 T 4.6945 7.2970 107.4658 59.1499 73.0489 174.2549 52 E 3.9451 8.5562 120.1041 58.9784 29.6137 178.3468 53 A 3.9825 7.8932 120.7960 55.0135 18.3145 179.2544 54 E 3.9327 7.9966 116.3964 59.7587 29.7916 179.0839 55 M 4.1546 8.1991 118.8164 58.4166 31.7884 179.0191 56 K 4.1031 8.2129 117.7415 59.0036 32.3205 178.4768 57 A 4.3909 7.6080 118.3722 51.6250 19.1489 177.0024 58 S 4.3655 7.5373 114.2754 57.1471 63.1229 174.4486 59 E 3.9481 8.9127 128.9752 59.1860 29.5237 177.6940 60 D 4.4620 8.2475 117.7709 57.6463 41.1879 177.9856 61 L 3.3210 8.0723 120.5968 57.9486 42.0592 178.9028 62 K 3.8662 7.8250 119.1162 59.2598 32.1021 178.7793 63 K 4.0010 8.1808 120.1129 59.7074 32.0449 178.3620 64 H 4.4121 8.6115 118.8376 59.1166 29.7394 177.4871 65 G 3.5310 8.3275 107.8755 47.6433 0.0000 175.8774 66 V 3.5945 7.7174 120.2111 66.0763 31.5626 178.1656 67 T 3.8767 7.9008 115.5207 66.6358 68.3139 176.6604 68 V 3.5891 7.9185 120.1062 66.2023 31.5351 178.1837 69 L 4.2416 8.1653 118.7210 57.9031 41.4455 179.6058 70 T 3.9431 8.3948 116.0406 66.6871 68.2824 176.5056 71 A 4.0311 8.0647 122.6770 55.0257 18.2852 179.4923 72 L 3.7499 8.1883 119.0863 57.9895 42.1582 179.3096 73 G 3.4100 8.5093 105.8745 47.8346 0.0000 175.5239 74 A 4.0422 7.8455 122.0155 54.6549 18.5807 179.5459 75 I 3.8609 7.2585 118.5822 64.4458 37.3360 178.5516 76 L 4.0094 7.8637 120.0612 57.4945 41.1609 179.3124 77 K 4.0380 7.7031 116.7274 58.0928 32.3042 178.8257 78 K 3.9398 7.8489 119.0182 56.4076 32.0623 176.9963 79 K 2.0000 8.1346 117.4680 56.7006 29.6673 175.8831 80 G 4.0924 8.1019 107.4133 46.1730 0.0000 174.9929 81 H 4.7410 7.6540 118.0704 54.0316 27.2180 174.5808 82 H 5.1464 7.2231 111.9379 53.7025 29.7949 176.1706 83 E 3.9610 8.5369 121.6855 60.2371 28.9513 179.2498 84 A 4.0358 7.8711 118.7063 55.2571 19.2443 179.0685 85 E 4.0722 8.1777 116.6641 59.4528 29.4640 179.2075 86 L 3.8475 8.2221 120.4685 57.6300 42.0845 178.9013 87 K 3.9334 7.8268 118.9315 59.1619 32.1164 177.4369 88 P 4.3272 0.0000 0.0000 65.7185 31.2238 178.1514 89 L 4.0508 7.5120 119.0638 57.9368 41.9467 178.8004 90 A 4.2190 8.4261 121.1820 55.1158 18.2681 179.4582 91 Q 3.8841 8.2531 118.4980 59.3529 29.1285 178.5901 92 S 4.0192 8.2260 115.3735 61.6267 63.0721 176.0195 93 H 4.1442 8.7121 119.3594 57.8585 28.6462 177.2934 94 A 2.7287 8.1824 122.8610 53.6405 18.2787 179.0766 95 T 3.9662 7.4752 112.6962 64.8729 69.6250 176.2518 96 K 3.9891 7.4785 119.8781 59.1295 32.6801 177.2554 97 H 4.3533 7.7776 114.1194 55.9581 29.4150 174.9122 98 K 3.3195 7.3824 117.2405 56.0267 28.1725 173.7535 99 I 4.4018 8.0613 119.6135 58.4012 39.2237 174.6432 100 P 4.5344 0.0000 0.0000 62.2198 32.2540 177.2696 101 I 3.6436 8.5090 121.8422 64.7270 36.9557 178.5804 102 K 3.6939 7.9641 119.7391 59.7726 31.8621 178.1960 103 Y 4.1663 7.9896 116.8428 60.6869 37.7504 178.0259 104 L 4.2552 7.8825 119.6578 57.4981 41.7811 179.1085 105 E 4.0472 8.0617 118.9974 59.3818 29.4284 179.2060 106 F 4.5391 7.9994 117.9251 60.7641 38.9094 177.5598 107 I 3.9311 8.1648 118.1500 63.8160 37.7641 178.0909 108 S 4.2083 8.1784 116.5411 61.5249 62.6388 176.1394 109 E 4.0251 8.4826 121.8122 59.3331 29.4263 178.7900 110 A 4.0489 8.0545 120.7728 55.1182 18.3321 179.7549 111 I 3.7573 8.0130 118.6103 64.6190 37.1675 178.7423 112 I 3.8624 7.9894 120.7980 64.4002 36.9197 178.0104 113 H 4.1616 8.4816 119.2554 59.3883 29.7849 177.5759 114 V 3.5781 7.9248 120.0247 65.9668 31.2662 178.0026 115 L 3.8383 7.9704 118.9442 57.8179 41.0622 178.9016 116 H 4.2771 7.9192 117.5073 59.3397 29.8765 176.9710 117 S 4.1424 7.8357 114.0295 60.5842 62.2883 175.4691 118 R 4.2091 7.8025 119.2704 56.5760 31.6753 176.2191 119 H 5.0174 8.1055 115.5601 53.6850 29.4642 172.9861 120 P 4.2905 0.0000 0.0000 65.9670 31.5415 179.3112 121 G 3.6386 8.1291 106.4949 47.5262 0.0000 173.6592 122 N 4.8989 8.1535 114.9019 53.0363 39.4580 174.5978 123 F 5.0258 7.7722 119.7218 56.8713 39.7839 175.0463 124 G 3.8899 7.6782 108.6904 44.3151 0.0000 172.0064 125 A 3.8722 8.4072 120.6452 55.3207 18.4169 179.8069 126 D 4.1779 7.9482 116.6887 57.4325 40.9285 178.7041 127 A 3.9176 7.7662 120.7965 55.0721 18.3265 179.2957 128 Q 3.1158 7.8070 118.4262 58.8126 28.9748 178.6221 129 G 3.5144 8.1787 106.8593 47.8144 0.0000 175.4961 130 A 3.8485 7.9881 123.4211 54.8898 18.2829 179.4324 131 M 3.9636 8.2288 116.9118 58.7662 32.2924 177.9357 132 N 4.3159 8.4464 117.5182 56.6427 39.0265 176.9717 133 K 3.8839 8.2076 119.7403 59.4130 32.1079 179.1953 134 A 3.8127 8.0574 121.2155 55.0939 18.1665 179.6862 135 L 4.1206 8.2402 117.6125 57.7050 41.6465 179.4561 136 E 3.9709 8.5917 119.1948 59.0995 29.3606 178.9624 137 L 3.9351 8.1823 120.5955 58.1534 42.1341 178.4868 138 F 4.1716 8.3697 120.4927 61.7598 39.1669 177.3152 139 R 3.4527 8.2498 117.4923 58.9344 29.8433 179.0732 140 K 3.8430 8.2842 119.7008 59.6394 32.2843 178.7277 141 D 4.3540 8.1708 119.2119 57.2459 40.6145 178.8884 142 I 3.4481 7.6236 120.3599 64.1242 37.0001 178.2576 143 A 3.6942 7.9348 121.6947 55.0276 18.2421 179.5732 144 A 3.9682 8.0256 119.2729 55.1736 18.3926 180.0873 145 K 4.3548 7.8335 118.3726 59.1419 32.0311 178.9930 146 Y 4.3955 8.4286 117.5440 61.2294 37.9236 178.8032 147 K 3.9232 8.1259 119.0919 59.9215 32.1505 179.1678 148 E 4.0326 8.1605 118.0967 59.3476 29.1318 179.1577 149 L 4.2619 7.9423 117.6893 55.5238 41.8477 177.8348 150 G 4.0095 8.0156 106.8993 45.2645 0.0000 172.1786 151 Y 4.6677 7.9059 120.3700 54.9321 40.6517 175.1205 152 Q 3.8570 8.2055 128.8616 55.3027 29.9544 175.8088 153 G 3.9383 8.6328 112.8770 46.0540 0.0000 172.9399 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 0 M 8.30 4.45 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.86 4.23 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 0.87 0.00 0.00 0.95 0.00 0.00 2 L 8.33 4.29 0.00 1.04 0.75 0.62 -0.33 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 3 S 8.57 4.60 0.00 4.06 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 0.00 4 E 8.78 4.30 0.00 2.19 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 2.43 2.52 0.00 5 G 8.08 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.04 3.93 0.00 1.94 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 0.00 2.22 2.26 0.00 7 W 8.15 4.32 0.00 3.56 3.18 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 8 Q 8.57 4.22 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 9 L 7.98 4.12 0.00 1.90 1.74 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.81 3.76 2.41 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 1.19 0.00 0.00 0.91 0.00 0.00 11 L 8.68 4.38 0.00 1.82 1.81 0.95 0.99 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 12 H 8.53 4.30 0.00 3.43 3.55 0.00 5.77 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.90 3.47 2.43 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 1.07 0.00 0.00 0.88 0.00 0.00 14 W 8.60 3.93 0.00 3.64 3.15 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 15 A 7.95 3.98 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 16 K 7.28 3.94 0.00 1.40 1.71 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.70 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.47 7.81 17 V 7.10 2.86 1.04 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 -0.06 0.00 0.00 0.43 0.00 0.00 18 E 7.52 3.91 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 19 A 7.53 4.25 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 20 D 7.83 4.65 0.00 2.69 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 21 V 7.91 3.46 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 1.04 0.00 0.00 0.84 0.00 0.00 22 A 7.97 4.07 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 23 G 8.28 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 24 H 8.36 4.20 0.00 3.12 3.25 0.00 5.82 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 25 G 8.45 3.57 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 0.00 0.00 0.00 26 Q 8.11 3.81 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 27 D 7.92 4.31 0.00 2.89 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 28 I 7.73 3.63 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.69 0.89 0.00 0.00 29 V 7.53 3.12 1.76 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 0.17 0.00 0.00 0.77 0.00 0.00 30 I 7.63 3.63 1.87 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 1.37 0.34 0.88 0.00 0.00 31 R 7.98 3.81 0.00 1.97 2.10 0.00 3.03 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 32 L 7.91 3.91 0.00 1.76 1.49 1.08 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.95 4.53 0.00 3.08 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 34 K 8.38 3.98 0.00 1.78 1.83 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.62 7.81 35 S 8.01 4.29 0.00 3.72 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.00 4.64 0.00 3.05 2.85 0.00 5.62 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 37 P 0.00 4.89 0.00 2.15 2.08 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 38 E 8.23 4.15 0.00 2.28 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 0.00 2.28 2.52 0.00 39 T 8.43 3.90 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 40 L 7.91 3.69 0.00 1.31 1.71 0.04 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.94 4.08 0.00 2.22 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 2.39 2.55 0.00 42 K 8.08 4.45 0.00 2.00 1.75 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.73 1.98 7.81 43 F 8.42 4.54 0.00 3.26 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 44 D 8.51 4.44 0.00 2.59 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 45 R 7.76 3.79 0.00 1.25 0.66 0.00 3.07 0.00 0.00 2.86 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.43 0.00 46 F 7.48 5.04 0.00 2.97 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 47 K 7.97 4.14 0.00 1.90 2.22 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.63 1.40 7.81 48 H 8.25 4.37 0.00 3.30 3.50 0.00 5.54 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.33 4.03 0.00 1.61 1.58 0.89 0.84 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 50 K 9.34 4.29 0.00 1.68 1.83 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.51 7.81 51 T 7.30 4.69 4.23 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 1.20 0.00 0.00 52 E 8.56 3.95 0.00 2.04 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 2.35 2.35 0.00 53 A 7.89 3.98 1.31 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 54 E 8.00 3.93 0.00 2.09 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 2.34 2.34 0.00 55 M 8.20 4.15 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.58 0.00 56 K 8.21 4.10 0.00 1.83 1.84 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.42 7.81 57 A 7.61 4.39 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 58 S 7.54 4.37 0.00 3.91 3.86 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 59 E 8.91 3.95 0.00 2.14 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 2.39 2.44 0.00 60 D 8.25 4.46 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 61 L 8.07 3.32 0.00 1.31 1.54 -0.41 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.82 3.87 0.00 1.86 1.93 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.41 7.81 63 K 8.18 4.00 0.00 1.92 2.09 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.50 7.81 64 H 8.61 4.41 0.00 3.59 3.48 0.00 5.84 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 65 G 8.33 3.53 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 0.00 66 V 7.72 3.59 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 1.13 0.00 0.00 0.95 0.00 0.00 67 T 7.90 3.88 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 68 V 7.92 3.59 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 1.08 0.00 0.00 0.97 0.00 0.00 69 L 8.17 4.24 0.00 1.79 1.86 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.39 3.94 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 1.25 0.00 0.00 71 A 8.06 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.19 3.75 0.00 1.63 1.62 0.24 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.51 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 74 A 7.85 4.04 1.36 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 75 I 7.26 3.86 1.84 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.57 0.88 0.00 0.00 76 L 7.86 4.01 0.00 1.20 1.56 -0.12 1.04 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 77 K 7.70 4.04 0.00 1.66 1.79 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.51 7.81 78 K 7.85 3.94 0.00 1.80 1.78 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.58 1.83 7.81 79 K 8.13 2.00 0.00 1.34 0.74 0.00 1.48 0.00 0.00 1.45 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.79 7.81 80 G 8.10 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.65 4.74 0.00 3.19 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.22 5.15 0.00 3.32 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.54 3.96 0.00 2.09 2.12 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 2.43 2.51 0.00 84 A 7.87 4.04 1.31 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 85 E 8.18 4.07 0.00 2.24 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 2.40 2.44 0.00 86 L 8.22 3.85 0.00 2.00 1.68 0.97 0.65 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 87 K 7.83 3.93 0.00 1.85 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.65 7.81 88 P 0.00 4.33 0.00 2.30 2.34 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 89 L 7.51 4.05 0.00 1.89 1.94 0.96 1.10 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 90 A 8.43 4.22 1.49 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 0.00 0.00 0.00 91 Q 8.25 3.88 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 92 S 8.23 4.02 0.00 4.01 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 0.00 93 H 8.71 4.14 0.00 3.59 3.58 0.00 5.80 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 94 A 8.18 2.73 0.73 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 95 T 7.48 3.97 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 1.11 0.00 0.00 96 K 7.48 3.99 0.00 1.53 1.61 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.13 1.32 7.81 97 H 7.78 4.35 0.00 3.00 3.15 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.38 3.32 0.00 1.78 1.79 0.00 1.48 0.00 0.00 2.34 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 1.25 7.81 99 I 8.06 4.40 2.08 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.98 1.14 0.00 0.00 100 P 0.00 4.53 0.00 1.93 1.99 0.00 3.21 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.49 0.00 101 I 8.51 3.64 1.93 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.82 0.00 0.00 102 K 7.96 3.69 0.00 1.67 1.64 0.00 1.72 0.00 0.00 1.97 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.55 1.22 7.81 103 Y 7.99 4.17 0.00 3.20 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 0.00 104 L 7.88 4.26 0.00 1.80 1.79 0.69 1.15 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 0.00 105 E 8.06 4.05 0.00 2.09 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 2.33 2.47 0.00 106 F 8.00 4.54 0.00 3.19 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 0.00 107 I 8.16 3.93 2.03 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 1.59 1.40 1.10 0.00 0.00 108 S 8.18 4.21 0.00 4.21 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 0.00 109 E 8.48 4.03 0.00 2.18 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 110 A 8.05 4.05 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 0.00 111 I 8.01 3.76 2.11 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 1.62 0.71 1.04 0.00 0.00 112 I 7.99 3.86 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.82 1.13 0.00 0.00 113 H 8.48 4.16 0.00 3.38 3.48 0.00 5.78 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 0.00 114 V 7.92 3.58 2.14 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 0.92 0.00 0.00 0.99 0.00 0.00 115 L 7.97 3.84 0.00 0.44 0.71 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.92 4.28 0.00 3.46 3.60 0.00 5.94 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.84 4.14 0.00 3.79 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 0.00 118 R 7.80 4.21 0.00 1.56 1.59 0.00 3.15 0.00 0.00 2.93 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 119 H 8.11 5.02 0.00 3.19 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.29 0.00 2.21 2.28 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 121 G 8.13 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 0.00 122 N 8.15 4.90 0.00 2.84 2.99 0.00 0.00 6.70 7.51 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 0.00 123 F 7.77 5.03 0.00 2.90 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 0.00 124 G 7.68 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.41 3.87 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 0.00 126 D 7.95 4.18 0.00 2.65 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 0.00 127 A 7.77 3.92 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 0.00 128 Q 7.81 3.12 0.00 1.18 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 129 G 8.18 3.51 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 0.00 130 A 7.99 3.85 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 0.00 131 M 8.23 3.96 0.00 2.35 2.36 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.90 0.00 132 N 8.45 4.32 0.00 2.87 2.90 0.00 0.00 7.25 7.49 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 0.00 133 K 8.21 3.88 0.00 1.94 1.65 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.49 7.81 134 A 8.06 3.81 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 0.00 135 L 8.24 4.12 0.00 1.76 1.83 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.59 3.97 0.00 2.13 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 2.34 2.62 0.00 137 L 8.18 3.94 0.00 1.86 1.98 1.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.37 4.17 0.00 3.06 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.25 3.45 0.00 1.97 1.84 0.00 3.16 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.99 0.00 140 K 8.28 3.84 0.00 1.76 1.99 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.44 7.81 141 D 8.17 4.35 0.00 2.88 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 0.00 142 I 7.62 3.45 1.29 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 0.89 -0.10 0.08 0.00 0.00 143 A 7.93 3.69 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 0.00 144 A 8.03 3.97 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 0.00 145 K 7.83 4.35 0.00 1.96 1.95 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.49 7.81 146 Y 8.43 4.40 0.00 3.20 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 0.00 147 K 8.13 3.92 0.00 2.16 1.89 0.00 1.56 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.47 1.55 7.81 148 E 8.16 4.03 0.00 2.22 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 2.35 2.53 0.00 149 L 7.94 4.26 0.00 1.81 1.72 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.02 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 0.00 0.00 0.00 151 Y 7.91 4.67 0.00 2.53 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 8.21 3.86 0.00 1.85 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 153 G 8.63 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 0.00 0.00 0.00