NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3893 8.2601 123.5848 52.1075 21.1277 177.6577 2 A 4.1760 9.3434 125.5010 49.8090 17.4724 180.0246 3 S 4.6954 8.9999 110.7430 56.7734 67.0999 173.7034 4 C 4.3737 8.4563 121.4062 56.6050 40.0416 173.8786 5 T 4.2937 8.5442 117.9938 60.8600 70.7835 175.4518 6 T 3.7958 8.3596 118.3089 67.0628 68.4964 176.2222 7 E 3.9532 8.2444 119.6406 59.7248 29.3971 179.0146 8 D 4.3363 8.1430 118.5672 57.6410 40.8720 179.0318 9 R 3.7945 8.2720 118.7000 59.3431 30.0763 178.9476 10 R 3.8818 8.0059 118.1786 59.5007 30.0155 178.3235 11 E 3.9286 8.1739 118.1324 59.6456 29.5514 178.6233 12 M 4.1108 8.8134 119.0770 59.2708 32.1278 178.1174 13 Q 4.1101 8.7563 118.3412 59.1128 28.7765 179.3406 14 L 4.0546 8.0271 119.6497 58.2240 41.0682 179.0269 15 M 4.1193 8.3614 118.7247 58.6153 32.1022 178.8598 16 W 4.4418 8.7186 128.1368 60.7006 30.8956 178.2059 17 G 3.9232 8.4591 104.7067 48.2794 0.0000 174.8470 18 N 4.5800 8.4135 117.8926 55.9145 38.7245 177.2184 19 V 3.8859 7.0794 111.9381 60.9610 32.4073 176.5397 20 W 3.8443 7.3409 129.1699 57.0315 31.0280 175.1454 21 S 4.3630 7.1394 119.2734 56.2210 62.5221 173.6259 22 A 4.3252 8.5482 131.3952 54.1198 18.5643 177.6688 23 Q 4.2772 7.9287 112.6998 55.9981 30.4506 175.4568 24 F 4.7978 7.3990 114.1477 55.0134 43.0532 175.4029 25 T 4.2098 8.5253 111.9690 63.3302 69.0463 176.2251 26 G 3.6448 8.3939 106.5723 49.3170 0.0000 175.1288 27 R 3.8556 7.8490 117.6845 58.7036 30.6021 178.7862 28 R 3.7705 7.8268 116.8727 59.7189 29.9730 178.6842 29 I 3.6636 7.9442 118.6363 64.4397 37.2969 178.2706 30 A 3.9626 8.0120 121.3844 55.3234 18.1933 179.8789 31 I 3.5398 8.1687 118.2500 64.3181 37.2250 178.2344 32 A 3.8443 8.3953 121.9592 55.4126 18.0939 179.6665 33 Q 4.0442 8.4202 116.3345 59.2346 28.7757 178.7449 34 A 3.7892 7.7487 121.4388 55.4944 18.2591 179.6898 35 V 3.1027 7.5095 116.4073 65.8816 31.5556 178.0478 36 F 3.7709 7.7614 117.2968 60.3990 38.6774 177.5740 37 K 3.8941 8.7191 119.6696 59.7527 31.4646 178.3131 38 D 4.2799 7.7225 117.8732 56.8905 41.1129 177.9091 39 L 3.9553 8.0854 121.3257 58.3818 41.9908 179.0658 40 F 4.6387 8.2343 116.2326 60.4806 38.8108 177.2666 41 A 4.2377 7.6337 120.1687 54.7800 18.4517 178.6656 42 N 4.8589 7.9640 111.9663 53.3774 40.0734 176.0503 43 V 4.3373 7.8756 120.3669 59.3720 31.9097 173.3134 44 P 4.0767 0.0000 0.0000 66.4436 31.6188 178.0708 45 D 4.4614 8.0305 115.8366 53.4900 39.9198 178.1069 46 A 4.1646 8.3575 123.7333 55.7393 18.5275 179.7617 47 V 2.8551 7.1940 115.9617 66.1140 31.0827 178.2072 48 G 3.7107 7.4372 102.4443 46.9798 0.0000 174.9646 49 L 4.0946 8.2194 120.6977 56.3292 41.9994 177.5941 50 F 4.8335 7.9841 117.6330 57.2572 40.3446 178.5605 51 G 3.5592 8.0724 107.3291 48.0115 0.0000 175.4904 52 A 4.1841 8.0721 121.4748 53.7674 18.4101 178.0219 53 V 4.3773 7.4612 110.0150 61.8491 33.2090 175.7666 54 K 3.7343 8.1290 115.2188 57.6265 29.8081 176.6600 55 G 3.0328 8.1238 104.9387 46.9703 0.0000 173.7686 56 D 4.2674 7.7545 119.6369 56.7369 41.5098 177.3025 57 E 4.3680 7.3816 121.3039 54.2959 27.8945 177.0310 58 V 3.5836 7.8295 115.4080 63.6851 32.0980 176.6882 59 N 4.8214 8.0337 116.0900 53.2708 39.1791 175.3599 60 S 4.4478 8.5642 113.5878 58.5398 65.1533 174.7715 61 N 4.3345 8.7261 121.1571 56.6174 38.2576 177.2245 62 E 4.0121 8.3452 119.4809 59.7537 29.5443 179.2732 63 F 4.3893 8.2723 119.9265 60.9888 39.4687 177.2186 64 K 3.8138 8.4586 118.2581 59.7185 31.9509 178.7771 65 A 4.0649 8.3442 121.0510 55.6365 18.1144 179.1924 66 H 4.0724 7.8914 116.4085 59.6193 30.0321 176.8893 67 C 3.9059 8.2000 118.8125 63.1586 28.0052 176.0809 68 I 3.7128 8.0593 121.3223 64.9512 36.7546 178.5979 69 R 4.0047 8.0813 118.4000 59.1256 29.7772 179.3961 70 V 3.6454 8.1710 118.5026 66.1301 31.7073 178.0616 71 V 3.9598 8.4628 118.4001 66.2651 31.2438 177.4488 72 N 4.7105 8.7436 116.7893 56.7548 38.8648 176.8365 73 G 3.7393 8.2533 107.1515 48.0012 0.0000 175.2518 74 L 3.7802 8.0798 124.5777 56.9086 41.9077 178.4651 75 D 3.9998 8.1441 117.9471 57.3415 41.1562 178.0771 76 S 4.0512 8.2306 116.2605 61.7698 62.9629 177.1035 77 S 3.8817 7.7966 116.2559 61.5127 62.8855 176.0801 78 I 3.5647 7.5724 124.8636 63.9151 36.3609 178.6894 79 G 3.5533 8.0924 106.2095 47.3884 0.0000 174.8435 80 L 4.1727 7.6907 120.9994 56.2903 41.9415 178.4362 81 L 4.0759 7.3728 117.8408 58.2187 41.5766 178.7031 82 S 4.4056 7.4672 112.3338 59.3589 64.4006 174.0472 83 D 4.7218 8.1898 121.5088 50.3651 41.3270 173.2302 84 P 4.1166 0.0000 0.0000 65.5097 31.3381 177.4432 85 A 3.9431 8.0288 118.7260 55.9062 18.1843 179.7451 86 T 3.6865 7.7867 113.4144 66.1506 68.4694 176.8497 87 L 3.8400 8.0076 122.7303 58.3400 42.0630 178.5302 88 N 4.2168 8.4452 116.5720 56.6019 38.5306 177.0581 89 E 3.9175 7.6107 119.0531 59.4479 29.6005 179.0964 90 Q 3.9341 8.1026 119.4522 59.4463 29.1430 178.5972 91 L 3.9446 8.6091 120.3474 57.6569 41.5399 179.4538 92 S 4.0921 8.0716 113.3265 61.4010 62.2788 175.7131 93 H 4.0853 8.2704 120.9127 59.3802 29.7258 177.0875 94 L 4.0260 8.1000 120.5583 57.7579 41.3479 179.2833 95 A 4.7035 8.2838 122.1844 55.1518 18.2677 179.7002 96 T 3.7890 7.9677 113.9480 67.0858 68.3425 176.8712 97 Q 4.0758 8.0959 118.3817 58.7838 28.9314 177.8625 98 H 4.6463 8.0578 116.1585 57.4304 29.1397 177.5966 99 K 4.0796 8.1502 119.7515 59.0365 31.9316 178.4666 100 A 4.4021 7.7543 118.7436 52.2252 18.4957 177.1291 101 R 4.4148 7.5112 117.7609 53.8719 31.3373 175.8034 102 S 4.2642 8.4786 120.3987 59.0264 63.2775 174.0523 103 G 3.8750 8.9659 113.7227 45.8852 0.0000 173.9560 104 V 3.8618 7.4970 119.9085 62.7798 30.9899 175.1452 105 T 4.7323 8.2256 117.6131 59.4784 71.3963 175.4619 106 K 4.0157 8.8611 123.6378 59.8504 32.0355 179.1509 107 G 3.9385 8.5497 105.5893 46.8139 0.0000 176.0451 108 G 3.7578 8.4595 108.8736 47.8301 0.0000 175.8579 109 F 3.9942 8.6737 120.0528 60.5334 38.8762 177.3238 110 S 4.1808 8.0614 110.7878 61.6933 62.3178 176.1583 111 A 4.1895 7.8729 123.2728 55.1898 18.3802 179.2127 112 I 3.6324 8.1308 116.8576 64.2638 37.8894 177.8661 113 A 3.7016 8.5569 121.9140 55.1739 18.0443 179.4969 114 Q 3.9785 7.8422 115.1168 59.3495 29.0246 178.8533 115 S 4.3151 8.0544 116.7335 61.0278 62.7817 176.3646 116 F 3.6743 8.3647 120.2071 60.9639 38.5843 178.0578 117 L 3.8830 7.8039 116.4940 57.7068 41.3987 179.3694 118 R 4.0913 8.2819 117.6277 58.2242 30.4464 178.7223 119 V 3.5928 7.2947 117.6394 65.8747 31.7291 177.5457 120 M 3.4371 7.6516 118.9814 57.8979 31.4824 177.1503 121 P 3.5277 0.0000 0.0000 65.9427 31.0702 177.8771 122 Q 4.0495 7.9991 117.8682 57.9165 28.7251 177.1635 123 V 3.9326 7.2986 117.1993 62.8997 32.8609 176.5574 124 A 4.3072 8.1117 122.8105 51.6715 19.9974 178.9446 125 S 4.8347 8.0878 121.7435 58.3811 61.7114 178.8411 126 C 4.4772 8.8162 126.9764 60.3878 25.6079 171.8106 127 F 4.5234 8.3521 125.5167 57.6896 40.0822 175.5043 128 N 4.5854 7.5315 125.4714 50.1466 39.1443 172.9196 129 P 3.9171 0.0000 0.0000 65.9368 31.2458 177.4870 130 D 4.3395 8.1286 118.3387 56.8301 40.7391 178.4611 131 A 3.9541 8.2536 120.6117 55.1036 18.4712 179.1186 132 W 4.1152 8.1092 126.6439 60.8929 30.6780 177.6910 133 S 4.2258 8.9333 112.9440 61.6987 61.6818 175.9623 134 R 3.8956 8.1676 120.6077 60.0584 29.9792 178.4279 135 C 4.2159 8.1179 115.6528 59.4627 39.4878 175.9922 136 F 3.3311 8.2782 122.7921 61.2452 38.9619 177.0212 137 N 4.3810 8.6780 116.3735 56.0865 37.7608 177.4462 138 R 3.8002 7.5145 120.4210 59.4286 30.1787 178.6843 139 I 3.5117 7.2609 119.5309 64.4578 36.8994 178.2820 140 T 3.6479 7.8329 116.8635 66.9645 68.0976 176.5116 141 T 3.8731 8.0487 117.2619 66.7620 68.6242 176.3029 142 G 3.5962 7.3081 105.0888 48.1710 0.0000 175.3479 143 M 4.2293 7.8739 121.6135 56.7692 32.9526 176.2930 144 T 4.4024 7.3317 113.9675 60.5832 64.7334 173.4440 145 E 4.0719 7.8092 124.5324 57.8033 30.5616 176.4594 146 P 4.5925 0.0000 0.0000 62.6383 32.4758 175.8235 147 L 4.1039 7.8169 118.8332 54.5096 43.6837 174.3032 148 P 4.2181 0.0000 0.0000 64.1152 30.4044 176.3262 149 A 4.1376 9.1525 132.9714 53.8152 19.0133 177.4849 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 A 8.26 4.39 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.34 4.18 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.00 4.70 0.00 3.91 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 4 C 8.46 4.37 0.00 2.96 3.01 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 5 T 8.54 4.29 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 6 T 8.36 3.80 4.22 0.00 0.00 0.00 0.00 0.00 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 7 E 8.24 3.95 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 8 D 8.14 4.34 0.00 2.93 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 9 R 8.27 3.79 0.00 1.99 1.94 0.00 3.28 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 10 R 8.01 3.88 0.00 1.93 2.15 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 11 E 8.17 3.93 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 12 M 8.81 4.11 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 13 Q 8.76 4.11 0.00 2.42 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.61 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 14 L 8.03 4.05 0.00 1.96 1.80 1.01 0.97 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 15 M 8.36 4.12 0.00 2.53 2.73 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.81 0.00 16 W 8.72 4.44 0.00 3.69 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.46 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 0.00 0.00 0.00 18 N 8.41 4.58 0.00 2.77 2.93 0.00 0.00 7.02 8.44 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 19 V 7.08 3.89 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 0.71 0.00 0.00 0.81 0.00 0.00 20 W 7.34 3.84 0.00 2.97 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.14 4.36 0.00 3.62 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.55 4.33 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.93 4.28 0.00 2.13 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 24 F 7.40 4.80 0.00 2.98 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 25 T 8.53 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 1.17 0.00 0.00 26 G 8.39 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 27 R 7.85 3.86 0.00 1.69 1.85 0.00 3.13 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 28 R 7.83 3.77 0.00 1.88 1.91 0.00 2.91 0.00 0.00 2.94 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.36 0.00 29 I 7.94 3.66 1.98 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 1.44 0.77 0.92 0.00 0.00 30 A 8.01 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.17 3.54 1.98 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.87 0.92 0.00 0.00 32 A 8.40 3.84 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 33 Q 8.42 4.04 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 34 A 7.75 3.79 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 35 V 7.51 3.10 1.54 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 0.10 0.00 0.00 -0.09 0.00 0.00 36 F 7.76 3.77 0.00 2.97 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 0.00 0.00 0.00 37 K 8.72 3.89 0.00 1.90 1.92 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 38 D 7.72 4.28 0.00 2.70 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 39 L 8.09 3.96 0.00 1.64 1.60 1.05 1.21 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 40 F 8.23 4.64 0.00 2.99 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 41 A 7.63 4.24 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 42 N 7.96 4.86 0.00 2.76 2.91 0.00 0.00 6.74 7.19 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 43 V 7.88 4.34 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 1.13 0.00 0.00 1.02 0.00 0.00 44 P 0.00 4.08 0.00 2.26 2.28 0.00 3.80 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 2.12 2.03 0.00 45 D 8.03 4.46 0.00 2.93 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.36 4.16 1.70 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 0.00 0.00 47 V 7.19 2.86 1.75 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 0.34 0.00 0.00 0.43 0.00 0.00 48 G 7.44 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 0.00 0.00 0.00 49 L 8.22 4.09 0.00 1.07 1.20 0.99 0.70 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 50 F 7.98 4.83 0.00 3.07 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.07 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 52 A 8.07 4.18 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.46 4.38 2.27 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 0.88 0.00 0.00 1.14 0.00 0.00 54 K 8.13 3.73 0.00 1.97 1.76 0.00 1.84 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.39 7.81 55 G 8.12 3.03 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 0.00 0.00 0.00 56 D 7.75 4.27 0.00 2.58 2.61 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 57 E 7.38 4.37 0.00 1.98 1.88 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 2.24 2.22 0.00 58 V 7.83 3.58 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 0.62 0.00 0.00 0.98 0.00 0.00 59 N 8.03 4.82 0.00 2.69 2.83 0.00 0.00 7.02 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 60 S 8.56 4.45 0.00 4.09 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 61 N 8.73 4.33 0.00 2.82 2.95 0.00 0.00 6.93 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.35 4.01 0.00 2.13 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 2.45 2.50 0.00 63 F 8.27 4.39 0.00 3.38 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 64 K 8.46 3.81 0.00 2.02 1.87 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.50 1.69 7.81 65 A 8.34 4.06 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 H 7.89 4.07 0.00 3.33 3.17 0.00 5.81 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 67 C 8.20 3.91 0.00 3.05 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.06 3.71 2.11 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 1.74 0.87 0.95 0.00 0.00 69 R 8.08 4.00 0.00 2.08 2.04 0.00 3.19 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 70 V 8.17 3.65 2.33 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 1.24 0.00 0.00 1.02 0.00 0.00 71 V 8.46 3.96 2.33 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 1.57 0.00 0.00 1.16 0.00 0.00 72 N 8.74 4.71 0.00 3.16 3.17 0.00 0.00 7.08 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.25 3.74 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 0.00 0.00 0.00 74 L 8.08 3.78 0.00 1.64 1.72 0.27 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.14 4.00 0.00 3.01 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.23 4.05 0.00 4.08 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 77 S 7.80 3.88 0.00 3.81 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 78 I 7.57 3.56 1.53 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.54 0.72 0.00 0.00 79 G 8.09 3.55 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 0.00 0.00 0.00 0.00 80 L 7.69 4.17 0.00 2.00 1.56 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.37 4.08 0.00 1.70 1.63 0.76 0.69 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 82 S 7.47 4.41 0.00 3.84 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 83 D 8.19 4.72 0.00 2.56 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 0.00 0.00 0.00 0.00 84 P 0.00 4.12 0.00 2.15 2.07 0.00 3.63 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 2.08 2.28 0.00 85 A 8.03 3.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.79 3.69 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 87 L 8.01 3.84 0.00 1.87 1.70 0.82 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.45 4.22 0.00 2.99 2.84 0.00 0.00 7.10 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 89 E 7.61 3.92 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 2.30 2.44 0.00 90 Q 8.10 3.93 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 91 L 8.61 3.94 0.00 1.61 1.60 0.78 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.07 4.09 0.00 3.94 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 93 H 8.27 4.09 0.00 3.28 3.46 0.00 5.85 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 94 L 8.10 4.03 0.00 1.90 1.72 0.88 0.94 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 95 A 8.28 4.70 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 96 T 7.97 3.79 4.34 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 1.18 0.00 0.00 97 Q 8.10 4.08 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 98 H 8.06 4.65 0.00 3.44 3.51 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.15 4.08 0.00 1.72 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.69 7.81 100 A 7.75 4.40 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 0.00 101 R 7.51 4.41 0.00 1.82 1.79 0.00 3.23 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 102 S 8.48 4.26 0.00 3.84 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 0.00 103 G 8.97 3.87 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 0.00 0.00 0.00 104 V 7.50 3.86 2.28 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 1.18 0.00 0.00 0.98 0.00 0.00 105 T 8.23 4.73 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 1.30 0.00 0.00 106 K 8.86 4.02 0.00 1.85 1.90 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.50 7.81 107 G 8.55 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 0.00 108 G 8.46 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.67 3.99 0.00 3.42 3.29 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 0.00 110 S 8.06 4.18 0.00 4.01 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.87 4.19 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.13 3.63 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.49 1.08 0.00 0.00 113 A 8.56 3.70 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 0.00 114 Q 7.84 3.98 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 115 S 8.05 4.32 0.00 3.96 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 0.00 116 F 8.36 3.67 0.00 3.05 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 0.00 117 L 7.80 3.88 0.00 1.94 1.78 1.03 0.95 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 0.00 118 R 8.28 4.09 0.00 1.84 1.89 0.00 3.11 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 119 V 7.29 3.59 1.78 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 0.87 0.00 0.00 0.71 0.00 0.00 120 M 7.65 3.44 0.00 0.62 0.68 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 2.44 0.00 121 P 0.00 3.53 0.00 2.13 2.16 0.00 3.17 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 122 Q 8.00 4.05 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 123 V 7.30 3.93 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 0.64 0.00 0.00 0.84 0.00 0.00 124 A 8.11 4.31 1.24 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 0.00 0.00 125 S 8.09 4.83 0.00 3.92 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 0.00 126 C 8.82 4.48 0.00 3.01 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 F 8.35 4.52 0.00 2.85 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 7.53 4.59 0.00 2.65 2.50 0.00 0.00 6.89 7.71 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 0.00 129 P 0.00 3.92 0.00 2.33 2.42 0.00 3.60 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 2.02 2.09 0.00 130 D 8.13 4.34 0.00 2.86 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 0.00 131 A 8.25 3.95 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 0.00 132 W 8.11 4.12 0.00 3.46 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.93 4.23 0.00 4.16 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 R 8.17 3.90 0.00 2.05 1.97 0.00 3.31 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 135 C 8.12 4.22 0.00 2.77 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 0.00 136 F 8.28 3.33 0.00 2.38 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 N 8.68 4.38 0.00 2.89 2.88 0.00 0.00 6.72 7.42 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 0.00 138 R 7.51 3.80 0.00 1.76 1.99 0.00 3.03 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 139 I 7.26 3.51 1.39 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.45 0.54 0.00 0.00 140 T 7.83 3.65 4.27 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 1.21 0.00 0.00 141 T 8.05 3.87 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 1.14 0.00 0.00 142 G 7.31 3.60 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 0.00 0.00 0.00 143 M 7.87 4.23 0.00 1.88 1.93 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 2.69 2.45 0.00 144 T 7.33 4.40 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 145 E 7.81 4.07 0.00 1.93 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 2.34 2.17 0.00 146 P 0.00 4.59 0.00 2.15 2.13 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 147 L 7.82 4.10 0.00 1.62 1.71 1.00 1.11 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 0.00 148 P 0.00 4.22 0.00 2.07 1.70 0.00 3.93 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 149 A 9.15 4.14 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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