NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5187 8.3049 120.3489 55.7409 33.2968 174.6211 2 K 4.5070 8.0586 119.3244 55.4136 33.3068 177.3618 3 G 3.6340 8.1594 108.9091 48.4268 0.0000 174.4059 4 S 4.2700 7.8407 115.5817 57.0649 63.7383 173.7922 5 S 4.7003 8.2082 119.5917 57.3996 64.2762 171.2995 6 H 4.6983 8.2781 122.5275 56.5704 36.2865 173.2648 7 H 4.8629 7.9504 114.7374 53.8541 30.1173 172.4909 8 H 4.2693 9.0985 124.8510 59.0539 29.9748 175.0329 9 H 4.8176 7.9152 114.3187 54.8278 30.4080 173.5491 10 H 4.7645 8.3205 119.3444 55.1316 30.9157 174.4701 11 H 4.4157 8.6478 121.2377 56.2725 29.1750 174.7403 12 S 4.7675 8.0761 115.9640 57.6647 66.8182 173.0094 13 S 4.5768 8.1406 116.5659 57.9867 66.6139 174.2541 14 G 3.9600 8.3536 109.2392 44.0837 0.0000 172.4579 15 A 4.3628 8.3387 128.3215 50.9458 20.6564 175.8333 16 S 4.2508 8.5568 118.6930 59.1665 63.6001 174.2345 17 L 4.6102 8.2873 123.6887 53.3246 42.4357 176.5681 18 V 4.5550 7.9287 116.2161 58.5796 35.7064 173.3542 19 P 4.3560 0.0000 0.0000 62.9532 31.4321 174.3608 20 R 4.2018 7.8659 129.5605 55.3162 35.0367 173.7524 21 G 4.0021 7.5160 105.2052 45.0151 0.0000 173.0504 22 S 4.5214 8.3512 115.6279 56.8906 64.5297 173.1011 23 E 4.5232 8.4128 119.9710 55.8789 31.0405 175.6014 24 G 3.8436 7.7925 106.6898 45.3312 0.0000 171.5098 25 A 4.1006 8.0426 121.4628 53.1165 18.7890 178.6092 26 A 4.5207 7.4274 113.1322 51.4090 20.2504 178.9179 27 T 3.7411 8.3228 119.2991 67.6551 68.6848 175.0506 28 M 4.3455 7.9055 118.5623 55.3478 34.0686 175.1672 29 E 4.0920 7.3282 117.8969 55.3069 30.8781 173.9249 30 L 3.5694 8.3496 126.2643 55.2916 38.7538 174.2660 31 S 4.6965 7.8794 117.0283 55.4979 68.3484 174.6836 32 A 3.9128 8.6413 125.7373 55.7498 18.2760 180.0901 33 D 4.3158 8.1296 116.7903 57.3133 40.8630 178.2796 34 Y 4.1999 7.8486 119.7635 60.9554 38.9997 178.0575 35 L 3.8081 7.8709 119.7943 57.3063 41.6062 179.4892 36 R 3.8541 8.1662 119.0612 59.5550 30.0626 178.3666 37 E 3.9527 8.6031 118.7505 59.1245 29.4707 179.3434 38 K 3.7827 7.8312 119.5688 59.6003 32.1905 178.9251 39 L 4.0071 7.8744 119.1788 57.5317 41.4101 179.4267 40 R 3.8807 8.3474 119.3858 59.5348 29.8533 178.6484 41 Q 3.9342 8.0513 116.2545 59.0275 28.8317 176.9309 42 D 4.3860 8.2606 119.8051 57.0300 41.3613 177.2841 43 L 4.0222 8.3664 117.5158 55.0516 42.0908 175.7920 44 E 3.5565 7.8928 119.2091 56.3108 26.2079 172.9044 45 A 4.6485 7.5535 123.5538 49.5593 22.3587 175.7060 46 E 4.4374 8.3031 117.4391 58.1700 30.5843 176.2690 47 H 4.9204 7.9315 115.3620 53.9625 32.4978 172.6734 48 V 4.9164 8.2903 114.7979 59.7453 36.0133 174.9163 49 E 4.7314 9.0052 122.5725 54.8853 33.3224 174.8651 50 V 4.9706 8.5274 124.1028 60.1806 34.1662 174.4838 51 E 4.8592 9.3783 122.4254 55.2222 33.7443 173.1420 52 D 5.0176 9.0631 121.9444 52.5173 44.8076 174.7009 53 T 4.3804 7.5311 113.1239 61.9682 69.2535 172.1591 54 T 3.2734 7.8842 125.7562 64.0936 68.1585 172.4568 55 L 4.0351 8.6114 126.8903 57.7562 41.9783 178.3031 56 N 4.6123 7.9007 117.2121 51.7068 36.3654 173.0987 57 R 4.3543 7.2567 120.2414 55.3419 33.2056 173.9837 58 C 4.1915 9.0301 118.8259 62.0609 28.2748 174.3397 59 A 4.6472 7.6593 120.4160 50.4721 20.3208 175.5732 60 T 4.6491 8.0880 115.3924 60.2684 70.4336 172.7359 61 S 5.1448 8.2620 121.2649 56.7425 67.3432 172.8031 62 F 4.9916 8.9627 119.4248 55.7169 42.8113 173.6552 63 R 4.9321 8.7837 123.7878 54.5585 32.2753 174.9334 64 V 4.9226 8.4714 118.8403 59.4453 35.6369 174.3183 65 L 4.8709 8.8267 126.0619 53.3270 45.3386 175.3135 66 V 4.8523 8.1911 123.7991 61.3780 35.4984 173.6513 67 V 4.6821 8.3414 127.6955 61.5443 34.0754 174.5848 68 S 4.9089 8.2631 121.2810 57.6487 66.6594 176.3161 69 A 4.5751 8.1266 119.2526 52.8758 19.2094 178.5898 70 K 3.7314 7.9559 118.0954 59.7381 31.9611 178.5342 71 F 4.7421 7.9348 117.4878 60.2431 38.7105 177.3304 72 E 4.1550 8.2732 118.0358 59.4527 29.3497 179.2402 73 G 3.7633 7.5330 104.9951 46.2067 0.0000 173.7815 74 K 4.6060 6.9835 118.5218 53.8438 34.3239 175.1037 75 P 4.4191 0.0000 0.0000 62.5092 33.2990 177.5305 76 L 3.9218 8.3815 120.7466 58.4419 42.1122 179.3187 77 L 4.0164 7.8330 119.1740 58.7799 40.4203 178.7988 78 Q 4.0238 7.9547 120.0089 58.7893 28.8589 178.1331 79 R 4.0091 7.7477 118.8610 59.6527 30.1986 178.6483 80 H 4.1189 7.7098 114.9885 58.9924 28.7720 177.9769 81 R 3.9427 8.1224 120.3813 59.1435 29.7838 178.6379 82 L 3.9963 8.0082 119.0730 57.8880 41.2903 179.6344 83 V 3.6495 7.6246 118.0205 66.0081 31.2014 177.8290 84 N 4.2109 8.0053 115.9523 56.0364 38.1252 177.2623 85 E 4.0231 8.0375 119.4044 59.3945 29.5780 178.5652 86 C 4.1639 7.6632 117.3640 61.8960 32.4991 176.0486 87 L 4.6632 7.4763 119.5689 54.4372 41.3776 178.9333 88 A 4.0608 7.6714 123.6465 54.9896 18.8497 178.9860 89 E 4.1096 7.9941 115.2893 59.4464 29.9787 178.8842 90 E 4.1257 8.1087 118.1667 58.8204 29.6322 178.6321 91 L 3.8888 8.2600 119.7385 57.8035 41.5465 177.6024 92 P 4.4019 0.0000 0.0000 66.4100 31.2811 177.9669 93 H 4.5496 8.1112 114.0212 57.3265 28.7084 175.8423 94 I 4.1586 7.9290 122.5085 61.0969 36.9372 175.5183 95 H 4.2369 9.0836 126.2557 58.7678 30.1983 175.2742 96 A 4.6658 7.9451 121.5552 50.7933 22.2281 175.0452 97 F 5.1120 9.0227 124.7485 56.6035 42.6725 174.0660 98 E 4.8859 8.7150 125.9982 54.7275 32.6205 173.8678 99 Q 5.2898 8.9554 124.3772 54.4334 31.8261 174.9771 100 K 4.6696 8.5883 121.5937 55.3785 35.5988 174.7258 101 T 4.8243 8.5817 117.5881 60.2471 71.1035 173.3209 102 L 4.8890 8.3804 122.5858 54.3629 47.2580 174.4683 103 T 5.1390 8.7616 109.3220 59.2081 71.1095 174.3363 104 P 4.3701 0.0000 0.0000 65.8868 31.3317 178.4146 105 E 3.9817 8.1581 118.8631 59.1641 29.7383 178.6047 106 Q 4.0125 8.0868 117.6387 58.6793 28.6990 178.1391 107 W 3.8668 8.1369 127.9400 61.0352 30.9190 177.8826 108 T 4.1012 8.0218 114.3714 66.4753 67.8842 176.6379 109 R 4.3259 7.8824 119.4455 58.0561 31.0432 177.6580 110 Q 4.3857 7.8136 119.1179 53.7299 29.9203 174.3280 111 R 4.3304 7.9325 118.8297 54.0961 29.2631 176.0880 112 R 4.1710 7.8759 123.5276 58.9982 31.4351 176.6643 113 E 4.1706 7.8863 120.1985 56.5083 29.6068 176.1844 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 M 8.30 4.52 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.66 0.00 2 K 8.06 4.51 0.00 1.80 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.50 7.81 3 G 8.16 3.63 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 0.00 0.00 0.00 4 S 7.84 4.27 0.00 4.01 3.90 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 5 S 8.21 4.70 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 6 H 8.28 4.70 0.00 3.11 3.32 0.00 5.92 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 7 H 7.95 4.86 0.00 3.30 3.35 0.00 5.77 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 9.10 4.27 0.00 3.09 3.35 0.00 5.74 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 H 7.92 4.82 0.00 3.17 3.28 0.00 5.94 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 10 H 8.32 4.76 0.00 3.10 3.19 0.00 5.93 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 H 8.65 4.42 0.00 3.17 3.27 0.00 5.89 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 12 S 8.08 4.77 0.00 3.79 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 13 S 8.14 4.58 0.00 3.82 3.75 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 14 G 8.35 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.34 4.36 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 16 S 8.56 4.25 0.00 3.87 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 17 L 8.29 4.61 0.00 1.60 1.60 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.93 4.56 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 0.74 0.00 0.00 0.93 0.00 0.00 19 P 0.00 4.36 0.00 2.17 2.05 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 20 R 7.87 4.20 0.00 1.72 1.83 0.00 3.26 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.47 0.00 21 G 7.52 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 0.00 0.00 0.00 22 S 8.35 4.52 0.00 3.83 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 23 E 8.41 4.52 0.00 1.99 1.86 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 2.26 2.29 0.00 24 G 7.79 3.84 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 0.00 0.00 0.00 25 A 8.04 4.10 1.25 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 0.00 0.00 26 A 7.43 4.52 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 27 T 8.32 3.74 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 1.21 0.00 0.00 28 M 7.91 4.35 0.00 1.84 1.99 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 29 E 7.33 4.09 0.00 1.74 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 30 L 8.35 3.57 0.00 1.78 1.74 0.87 0.91 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 31 S 7.88 4.70 0.00 3.84 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 32 A 8.64 3.91 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.13 4.32 0.00 2.82 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 34 Y 7.85 4.20 0.00 2.96 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 35 L 7.87 3.81 0.00 1.72 1.73 0.79 0.77 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 36 R 8.17 3.85 0.00 2.09 2.03 0.00 3.17 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 37 E 8.60 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 2.52 0.00 38 K 7.83 3.78 0.00 1.62 1.66 0.00 1.15 0.00 0.00 1.43 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.27 7.81 39 L 7.87 4.01 0.00 1.92 1.73 1.05 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 40 R 8.35 3.88 0.00 2.03 1.98 0.00 3.03 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 41 Q 8.05 3.93 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 42 D 8.26 4.39 0.00 2.64 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 43 L 8.37 4.02 0.00 1.67 1.38 1.12 0.85 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 44 E 7.89 3.56 0.00 2.00 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 2.18 2.29 0.00 45 A 7.55 4.65 1.14 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 0.00 0.00 46 E 8.30 4.44 0.00 1.91 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 2.25 2.38 0.00 47 H 7.93 4.92 0.00 2.94 3.01 0.00 5.63 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.29 4.92 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 0.81 0.00 0.00 0.89 0.00 0.00 49 E 9.01 4.73 0.00 1.89 1.82 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 2.23 2.25 0.00 50 V 8.53 4.97 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 0.82 0.00 0.00 1.04 0.00 0.00 51 E 9.38 4.86 0.00 2.02 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 0.00 2.19 2.26 0.00 52 D 9.06 5.02 0.00 2.77 2.47 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 53 T 7.53 4.38 4.14 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 1.09 0.00 0.00 54 T 7.88 3.27 4.19 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 1.19 0.00 0.00 55 L 8.61 4.04 0.00 1.66 1.77 1.10 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.90 4.61 0.00 2.66 2.75 0.00 0.00 6.76 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 57 R 7.26 4.35 0.00 1.69 1.88 0.00 3.32 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.53 0.00 58 C 9.03 4.19 0.00 2.98 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 59 A 7.66 4.65 1.15 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 0.00 0.00 60 T 8.09 4.65 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 1.28 0.00 0.00 61 S 8.26 5.14 0.00 3.80 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 62 F 8.96 4.99 0.00 2.60 2.52 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 63 R 8.78 4.93 0.00 1.83 1.73 0.00 3.04 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 64 V 8.47 4.92 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 0.66 0.00 0.00 1.14 0.00 0.00 65 L 8.83 4.87 0.00 1.76 1.41 0.18 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.19 4.85 2.36 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 1.06 0.00 0.00 1.02 0.00 0.00 67 V 8.34 4.68 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 0.75 0.00 0.00 -0.40 0.00 0.00 68 S 8.26 4.91 0.00 3.72 3.93 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 69 A 8.13 4.58 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 70 K 7.96 3.73 0.00 1.60 1.42 0.00 1.44 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.34 7.81 71 F 7.93 4.74 0.00 3.14 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 72 E 8.27 4.15 0.00 2.23 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 2.42 2.53 0.00 73 G 7.53 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 74 K 6.98 4.61 0.00 1.84 1.79 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.59 7.81 75 P 0.00 4.42 0.00 2.16 2.00 0.00 3.63 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 2.13 2.17 0.00 76 L 8.38 3.92 0.00 1.69 1.63 0.89 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.83 4.02 0.00 1.90 1.89 0.92 0.40 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 78 Q 7.95 4.02 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 79 R 7.75 4.01 0.00 1.91 1.34 0.00 3.19 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.94 0.00 80 H 7.71 4.12 0.00 3.25 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.12 3.94 0.00 2.12 1.93 0.00 3.10 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 82 L 8.01 4.00 0.00 2.18 1.82 1.08 0.68 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 83 V 7.62 3.65 2.13 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 1.10 0.00 0.00 1.03 0.00 0.00 84 N 8.01 4.21 0.00 2.89 2.76 0.00 0.00 6.89 7.87 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 85 E 8.04 4.02 0.00 2.12 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 2.33 2.52 0.00 86 C 7.66 4.16 0.00 2.91 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 87 L 7.48 4.66 0.00 1.51 1.53 0.84 0.52 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 88 A 7.67 4.06 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 89 E 7.99 4.11 0.00 1.96 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 2.32 2.39 0.00 90 E 8.11 4.13 0.00 2.03 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 2.49 2.46 0.00 91 L 8.26 3.89 0.00 1.84 1.70 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.40 0.00 2.04 2.15 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 93 H 8.11 4.55 0.00 3.39 3.43 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.93 4.16 2.21 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.11 1.35 0.00 0.00 95 H 9.08 4.24 0.00 3.18 3.56 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.95 4.67 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 97 F 9.02 5.11 0.00 3.14 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 98 E 8.72 4.89 0.00 2.07 1.71 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 2.24 2.28 0.00 99 Q 8.96 5.29 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 5.78 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 100 K 8.59 4.67 0.00 1.92 1.77 0.00 1.56 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.57 7.81 101 T 8.58 4.82 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 0.42 0.00 0.00 102 L 8.38 4.89 0.00 2.04 2.02 1.14 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.76 5.14 4.32 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 1.29 0.00 0.00 104 P 0.00 4.37 0.00 2.31 2.36 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 105 E 8.16 3.98 0.00 2.10 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 2.41 2.43 0.00 106 Q 8.09 4.01 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 107 W 8.14 3.87 0.00 3.65 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.02 4.10 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 1.25 0.00 0.00 109 R 7.88 4.33 0.00 1.99 1.99 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 110 Q 7.81 4.39 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.11 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 111 R 7.93 4.33 0.00 1.88 2.04 0.00 3.12 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 112 R 7.88 4.17 0.00 1.75 1.97 0.00 3.16 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 113 E 7.89 4.17 0.00 1.87 1.82 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 2.26 2.24 0.00