NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4480 8.2893 120.3249 54.6220 33.4329 174.9426 1 Q 3.7874 8.4923 119.1136 55.1250 29.3305 174.4631 2 D 4.3385 9.6125 121.0160 54.3731 42.2250 176.8735 3 P 4.2305 0.0000 0.0000 66.0547 31.8576 177.9736 4 Y 4.4056 8.2213 116.4467 59.9570 37.9524 178.1013 5 V 2.9991 6.2943 113.7631 63.9418 31.5131 178.0751 6 K 3.7251 7.2381 119.3993 59.9448 31.5829 178.7357 7 E 3.9318 8.0890 117.6561 58.9829 29.3033 179.2265 8 A 4.0299 8.2548 121.6393 55.2616 18.5475 179.5977 9 E 3.9169 8.6604 117.5101 59.1152 29.4834 179.0064 10 N 4.2814 8.2257 117.4373 56.7722 39.0237 176.6756 11 L 4.0250 7.9874 120.2494 57.8760 41.7233 179.2404 12 K 3.9055 8.2356 119.5057 59.7373 31.8909 178.8308 13 K 3.9913 8.2189 118.2923 59.6484 31.8662 178.3329 14 Y 4.1955 7.7427 118.3703 61.2171 38.7750 178.2925 15 F 4.1050 8.9282 115.8222 57.4290 39.9392 174.5676 16 N 4.1613 8.7525 116.5711 54.6068 37.1782 174.1385 17 A 4.4245 8.4233 119.5435 53.0988 19.6785 178.2984 18 G 4.0983 7.9397 104.1810 45.7928 0.0000 172.9574 19 H 4.9139 7.8167 118.8236 54.3305 32.0852 175.9205 20 S 3.9353 7.9536 122.3628 61.7926 63.4662 176.1562 21 D 5.1206 8.9827 119.6467 56.8615 40.7308 179.6841 22 V 3.7178 7.8612 117.0250 64.6165 31.1925 177.3987 23 A 4.1158 8.0810 122.3927 54.2531 18.7415 177.6257 24 D 4.4258 8.4819 116.9727 55.4311 41.4563 173.6664 25 N 4.2689 8.5395 121.3224 55.1148 35.4388 176.4835 26 G 3.7277 8.0438 111.5119 46.3411 0.0000 170.1646 27 T 4.5520 7.9740 111.2320 59.6665 71.3764 173.7714 28 L 3.7650 7.8701 125.1137 57.0416 41.6634 178.2012 29 F 4.6010 7.2598 117.0739 57.5131 40.0091 180.3761 30 L 3.6815 7.4159 123.9179 57.1470 42.8836 178.7252 31 G 3.7182 7.8676 103.9674 47.7551 0.0000 175.5733 32 I 3.8011 7.9318 122.7787 64.1255 37.3569 178.2894 33 L 4.2415 8.0902 119.8973 57.3235 41.6824 178.0381 34 K 4.1710 7.9967 118.3271 58.4297 32.3863 177.3996 35 N 4.3698 7.8205 114.7898 52.7628 38.6226 174.7055 36 W 4.8070 7.0960 119.7085 54.8555 31.7000 175.0933 37 K 4.4366 8.6834 121.9366 56.4775 33.8452 176.6975 38 E 4.0944 8.2386 120.4148 55.6828 30.3781 176.1228 39 E 3.8874 9.0101 127.6808 59.8043 29.3599 178.4531 40 S 4.0584 8.0912 110.9656 61.7116 62.6083 175.3385 41 D 4.3732 7.7930 120.2728 57.6820 40.6449 178.9759 42 R 3.9939 8.1873 118.3157 59.6584 30.0746 179.0941 43 K 4.2545 8.2379 118.1113 58.8713 31.9352 179.0713 44 I 3.9023 7.8737 112.4925 62.9017 37.7877 177.2052 45 M 4.2567 7.6503 119.8656 57.5695 32.9739 177.8749 46 Q 3.7950 8.3188 118.3888 58.8111 28.6600 179.1929 47 S 4.1742 7.9683 113.7200 61.7620 62.5811 176.3409 48 Q 4.1023 7.9326 121.3785 58.4705 28.4495 178.8085 49 I 3.0709 7.4925 120.9434 63.9240 36.9535 178.6167 50 V 3.2103 7.6769 119.8723 65.4902 31.3282 178.2677 51 S 4.3805 8.4338 114.4683 61.2583 62.7460 176.3825 52 F 4.0512 8.0362 124.1352 61.5103 39.2019 176.8094 53 Y 3.9330 7.6654 116.1304 60.7261 37.2531 179.0516 54 F 4.6386 7.8663 118.3658 60.5272 39.2837 177.4085 55 K 4.0430 8.3380 118.3020 59.6631 31.5558 178.5846 56 L 3.9758 7.7402 119.7353 59.1307 41.7783 179.2667 57 F 4.8024 8.2377 117.5921 60.2841 39.1494 177.6233 58 K 4.2749 8.4473 119.9308 59.5729 31.8195 178.5540 59 N 4.9332 7.5809 112.4473 53.4246 38.6430 175.7967 60 F 4.8923 8.3504 116.7606 57.8138 41.3981 176.5548 61 K 5.1939 8.5156 121.7281 57.7028 32.3538 178.0266 62 D 4.4544 8.1325 117.3370 55.2001 39.5409 175.7137 63 D 4.8393 7.4217 118.9436 52.9996 42.6248 175.6900 64 Q 4.3698 8.5823 123.3253 57.7858 29.9623 177.6996 65 S 4.1195 8.2530 112.5624 60.4620 62.9280 174.9384 66 I 4.1824 7.8882 111.8066 60.3032 37.9927 177.0509 67 Q 3.9155 8.0820 121.8683 59.5572 28.5401 178.5417 68 K 3.8099 8.1151 119.7359 59.8508 31.9424 178.6928 69 S 4.2298 7.7882 115.8710 61.2274 62.8146 176.7196 70 V 3.1516 7.6994 120.9910 65.3950 31.0604 177.9834 71 E 3.9387 8.2182 117.6087 59.7671 29.3876 178.9376 72 T 3.8675 7.8134 117.3239 66.2866 68.4995 176.5258 73 I 3.7847 8.0453 121.7205 64.2640 37.1313 178.2859 74 K 4.0838 7.7687 119.1500 59.7701 32.0124 178.5241 75 E 3.9787 8.3437 119.2096 59.7502 29.5902 178.4935 76 D 4.4541 7.7889 116.3531 57.5694 41.1860 177.9297 77 M 3.9257 8.0141 118.8858 58.1439 32.1640 177.8237 78 N 4.4790 8.3269 117.4669 56.9067 39.0986 177.2060 79 V 3.7492 8.1646 119.5293 64.6530 31.5497 177.3429 80 K 4.2347 7.5742 116.9699 58.2012 32.7589 177.9566 81 F 4.4050 8.3923 119.4427 59.8769 39.8617 176.2033 82 F 4.6983 7.7206 115.4486 56.6209 39.1630 175.6033 83 N 4.1274 8.9016 117.7731 55.5565 36.9641 173.9421 84 S 3.7257 7.9322 109.4075 59.4124 61.3037 172.3154 85 N 4.8110 8.3721 120.6789 51.9407 38.0171 174.6689 86 K 3.8256 8.5650 128.7363 59.9731 32.1507 177.3825 87 K 3.9545 8.4074 118.2366 58.6048 31.9270 179.1954 88 K 4.0200 8.5720 119.5649 59.4734 32.4817 178.1974 89 R 2.5748 7.4343 118.4661 59.4423 29.9697 178.0149 90 D 4.3143 7.9059 118.2674 57.4511 40.8121 178.8362 91 D 4.2183 8.4675 119.6220 57.3094 40.6881 178.0579 92 F 4.1165 7.9703 119.9848 61.7718 39.5787 176.5262 93 E 3.9285 8.7280 119.2675 58.6090 29.3637 179.0980 94 K 3.6394 7.7994 119.0447 59.9681 31.9730 178.5406 95 L 3.2609 7.3707 117.4417 57.6223 41.8899 179.2695 96 T 4.0711 7.4997 108.8345 62.3450 69.4291 173.6340 97 N 4.9640 7.3421 119.5400 51.2972 38.2239 172.0110 98 Y 4.8605 7.8443 117.7073 55.8392 41.6890 175.0294 99 S 4.1462 8.8484 120.1146 58.4338 61.8265 174.6277 100 V 3.9241 8.4308 125.9985 62.9398 30.9579 176.6691 101 T 4.4927 7.2987 108.7613 61.2346 70.4688 173.9547 102 D 4.2829 8.0284 122.4143 54.4363 41.9388 176.2196 103 L 4.1967 8.5725 130.8047 57.2627 41.9909 178.1646 104 N 4.3934 8.4058 116.1333 55.6096 38.8415 177.4126 105 V 3.5016 7.8438 119.5258 65.8927 31.7613 177.8391 106 Q 4.0928 8.1029 116.9630 58.5982 28.3567 178.7794 107 R 4.0060 7.2334 118.1470 58.9311 30.3195 178.2473 108 K 3.7532 7.9751 119.1789 59.7708 31.8785 178.5408 109 A 3.9985 7.6832 119.2903 55.2334 18.4041 179.4885 110 I 3.8024 7.5143 116.7561 64.0813 37.3619 178.0297 111 H 4.3589 8.2714 119.8786 59.2255 29.8059 176.9485 112 E 4.1593 8.0207 118.0296 57.0488 29.1784 178.7369 113 L 3.9861 7.9308 122.2241 57.7685 42.2384 178.5141 114 I 3.6769 7.7053 118.8200 64.8454 37.0038 178.2833 115 Q 3.9796 7.9238 116.6394 58.9261 28.5377 178.4778 116 V 3.7456 7.7399 119.1887 66.4633 31.7006 178.0702 117 M 4.2096 8.6017 118.4388 57.9236 31.4613 177.6212 118 A 4.4968 7.4566 118.3103 52.2800 18.6105 177.4390 119 E 4.6550 7.6416 113.6231 56.5234 32.4018 176.7636 120 L 4.1143 7.8997 119.8084 57.9322 41.7837 178.3680 121 S 4.3600 7.7511 112.6302 57.5047 63.4466 172.2097 122 P 4.3996 0.0000 0.0000 62.5009 31.9877 175.6596 123 A 4.6070 8.2820 122.7284 50.8903 21.2340 176.3224 124 A 4.5053 8.4075 120.8843 52.6950 20.5214 177.9329 125 K 4.3529 7.9935 116.5372 56.5861 32.7381 176.4659 126 T 3.7437 7.9393 114.8684 60.9680 68.2804 175.1688 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 8.29 4.45 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 1 Q 8.49 3.79 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 2 D 9.61 4.34 0.00 2.73 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 3 P 0.00 4.23 0.00 2.29 2.14 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 4 Y 8.22 4.41 0.00 3.25 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 5 V 6.29 3.00 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 0.06 0.00 0.00 0.75 0.00 0.00 6 K 7.24 3.73 0.00 1.94 1.91 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.46 7.81 7 E 8.09 3.93 0.00 2.12 1.94 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 2.53 2.31 0.00 8 A 8.25 4.03 1.40 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 0.00 0.00 0.00 9 E 8.66 3.92 0.00 2.06 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 2.30 2.44 0.00 10 N 8.23 4.28 0.00 2.93 2.98 0.00 0.00 7.11 6.25 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 11 L 7.99 4.03 0.00 1.98 1.79 0.78 0.58 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 12 K 8.24 3.91 0.00 2.04 2.06 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.55 7.81 13 K 8.22 3.99 0.00 2.13 1.90 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.48 7.81 14 Y 7.74 4.20 0.00 2.95 3.32 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 15 F 8.93 4.10 0.00 3.04 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 16 N 8.75 4.16 0.00 2.78 2.87 0.00 0.00 7.08 7.67 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 17 A 8.42 4.42 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 18 G 7.94 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 H 7.82 4.91 0.00 3.17 3.11 0.00 5.71 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.95 3.94 0.00 3.86 3.83 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 21 D 8.98 5.12 0.00 2.75 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 22 V 7.86 3.72 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.98 0.00 0.00 23 A 8.08 4.12 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 24 D 8.48 4.43 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.54 4.27 0.00 2.84 2.87 0.00 0.00 7.17 7.65 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 26 G 8.04 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 27 T 7.97 4.55 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 1.17 0.00 0.00 28 L 7.87 3.77 0.00 0.39 0.70 0.28 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.26 4.60 0.00 3.06 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.42 3.68 0.00 1.67 1.82 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.87 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.93 3.80 2.13 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 1.52 0.97 1.13 0.00 0.00 33 L 8.09 4.24 0.00 1.84 1.73 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.00 4.17 0.00 2.02 1.82 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.45 7.81 35 N 7.82 4.37 0.00 1.87 1.93 0.00 0.00 6.75 6.98 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 36 W 7.10 4.81 0.00 3.38 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 37 K 8.68 4.44 0.00 1.71 1.85 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.45 7.81 38 E 8.24 4.09 0.00 2.18 1.94 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 2.43 2.46 0.00 39 E 9.01 3.89 0.00 2.12 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 2.37 2.45 0.00 40 S 8.09 4.06 0.00 3.89 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 41 D 7.79 4.37 0.00 3.09 2.48 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 42 R 8.19 3.99 0.00 2.19 2.06 0.00 3.17 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 43 K 8.24 4.25 0.00 1.92 1.83 0.00 1.42 0.00 0.00 1.75 0.00 0.00 3.22 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.74 1.51 7.81 44 I 7.87 3.90 1.81 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 1.27 0.38 0.90 0.00 0.00 45 M 7.65 4.26 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 46 Q 8.32 3.80 0.00 2.24 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 47 S 7.97 4.17 0.00 4.23 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 48 Q 7.93 4.10 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.24 0.00 49 I 7.49 3.07 1.54 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.28 0.12 0.00 0.00 50 V 7.68 3.21 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 -0.21 0.00 0.00 -0.43 0.00 0.00 51 S 8.43 4.38 0.00 4.11 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 0.00 52 F 8.04 4.05 0.00 3.17 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 53 Y 7.67 3.93 0.00 2.71 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 0.00 0.00 0.00 0.00 54 F 7.87 4.64 0.00 3.19 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.34 4.04 0.00 1.65 1.74 0.00 1.46 0.00 0.00 1.47 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.59 7.81 56 L 7.74 3.98 0.00 1.75 1.81 1.20 1.00 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 57 F 8.24 4.80 0.00 3.22 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 58 K 8.45 4.27 0.00 2.09 2.04 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.51 7.81 59 N 7.58 4.93 0.00 2.60 2.58 0.00 0.00 6.89 7.11 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 60 F 8.35 4.89 0.00 3.43 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 61 K 8.52 5.19 0.00 1.95 1.91 0.00 2.01 0.00 0.00 2.61 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.49 7.81 62 D 8.13 4.45 0.00 2.79 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 63 D 7.42 4.84 0.00 2.91 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 64 Q 8.58 4.37 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 65 S 8.25 4.12 0.00 4.07 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.89 4.18 1.51 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.70 -0.36 0.00 0.00 67 Q 8.08 3.92 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 68 K 8.12 3.81 0.00 1.79 1.80 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.54 7.81 69 S 7.79 4.23 0.00 3.95 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 70 V 7.70 3.15 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 0.67 0.00 0.00 0.75 0.00 0.00 71 E 8.22 3.94 0.00 2.30 2.18 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 2.27 2.60 0.00 72 T 7.81 3.87 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 1.24 0.00 0.00 73 I 8.05 3.78 1.66 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.69 0.93 0.00 0.00 74 K 7.77 4.08 0.00 2.18 2.03 0.00 1.96 0.00 0.00 1.93 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.94 2.02 7.81 75 E 8.34 3.98 0.00 2.12 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 2.35 2.42 0.00 76 D 7.79 4.45 0.00 2.89 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.01 3.93 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 78 N 8.33 4.48 0.00 3.07 3.12 0.00 0.00 6.78 7.28 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 79 V 8.16 3.75 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.04 0.00 0.00 80 K 7.57 4.23 0.00 1.80 1.76 0.00 1.65 0.00 0.00 1.45 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.41 7.81 81 F 8.39 4.40 0.00 2.43 2.46 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 0.00 82 F 7.72 4.70 0.00 3.35 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 83 N 8.90 4.13 0.00 2.71 2.85 0.00 0.00 7.23 7.63 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 84 S 7.93 3.73 0.00 4.08 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.37 4.81 0.00 2.71 2.94 0.00 0.00 6.81 5.98 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 86 K 8.57 3.83 0.00 1.86 1.83 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.57 7.81 87 K 8.41 3.95 0.00 2.02 1.75 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.48 7.81 88 K 8.57 4.02 0.00 2.03 1.69 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 89 R 7.43 2.57 0.00 1.81 1.95 0.00 3.41 0.00 0.00 3.45 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 90 D 7.91 4.31 0.00 2.83 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 91 D 8.47 4.22 0.00 2.74 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 92 F 7.97 4.12 0.00 2.80 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.73 3.93 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.20 0.00 94 K 7.80 3.64 0.00 1.92 1.86 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.56 7.81 95 L 7.37 3.26 0.00 1.51 1.49 0.97 0.71 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 96 T 7.50 4.07 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 0.52 0.00 0.00 97 N 7.34 4.96 0.00 2.64 2.75 0.00 0.00 6.73 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 7.84 4.86 0.00 2.79 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.85 4.15 0.00 3.87 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 0.00 100 V 8.43 3.92 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 0.81 0.00 0.00 0.95 0.00 0.00 101 T 7.30 4.49 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 102 D 8.03 4.28 0.00 2.73 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 0.00 103 L 8.57 4.20 0.00 1.70 1.65 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.41 4.39 0.00 2.97 2.79 0.00 0.00 6.45 7.13 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 0.00 105 V 7.84 3.50 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 0.98 0.00 0.00 0.77 0.00 0.00 106 Q 8.10 4.09 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.61 0.00 0.00 0.00 0.00 0.00 2.58 2.43 0.00 107 R 7.23 4.01 0.00 2.09 1.98 0.00 3.13 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 108 K 7.98 3.75 0.00 1.89 1.85 0.00 1.55 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.41 7.81 109 A 7.68 4.00 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 0.00 110 I 7.51 3.80 2.03 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 1.54 0.83 0.91 0.00 0.00 111 H 8.27 4.36 0.00 3.27 3.53 0.00 5.58 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 0.00 112 E 8.02 4.16 0.00 2.09 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 2.38 2.50 0.00 113 L 7.93 3.99 0.00 1.78 1.58 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.71 3.68 1.84 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 1.62 0.93 0.90 0.00 0.00 115 Q 7.92 3.98 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 116 V 7.74 3.75 2.34 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 1.04 0.00 0.00 0.95 0.00 0.00 117 M 8.60 4.21 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.70 0.00 118 A 7.46 4.50 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 0.00 119 E 7.64 4.65 0.00 1.95 1.91 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 2.34 2.40 0.00 120 L 7.90 4.11 0.00 1.86 1.73 0.92 0.68 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 0.00 121 S 7.75 4.36 0.00 3.86 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 0.00 122 P 0.00 4.40 0.00 2.18 2.04 0.00 3.74 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 1.98 1.96 0.00 123 A 8.28 4.61 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 0.00 124 A 8.41 4.51 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 0.00 125 K 7.99 4.35 0.00 1.69 1.75 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.39 7.81 126 T 7.94 3.74 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00