NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4757 8.2893 120.3258 55.1488 33.9907 174.7599 2 S 4.2414 7.4845 109.4294 54.5675 65.8658 172.1382 3 N 4.7632 8.7600 116.8654 52.9741 38.0330 178.0786 4 I 3.6865 7.3287 117.2013 64.6862 37.5859 177.9573 5 N 4.3138 8.0432 117.9466 55.7573 38.4090 177.0237 6 L 3.8321 7.7627 121.3797 57.9597 42.1906 179.0042 7 V 3.5512 8.1150 118.7446 66.0813 31.5004 177.8740 8 Q 3.9760 8.1023 119.3448 58.8182 28.8385 177.9341 9 L 3.8603 7.7485 121.6522 58.0747 42.1022 179.1776 10 V 3.7134 7.8287 118.2368 65.9349 31.5926 178.1440 11 R 3.9770 8.3738 118.2604 59.5614 30.1033 178.7971 12 D 4.4701 8.2085 118.5466 57.4265 40.3377 179.1689 13 S 4.3812 8.2661 115.7064 61.7605 62.8575 176.7728 14 L 4.0409 8.2354 121.6840 57.5194 41.1284 179.4197 15 F 3.9694 8.2182 120.5439 61.6424 39.1663 177.4188 16 T 4.0340 7.7766 113.7450 66.3667 68.2827 176.4900 17 I 3.9435 7.4598 120.9504 62.4121 37.2826 176.8681 18 G 4.0265 7.5512 106.6004 45.5098 0.0000 174.0187 19 C 4.2988 7.3541 116.9617 58.6192 28.9328 171.4414 20 P 4.3147 0.0000 0.0000 61.2802 32.0641 175.3131 21 P 4.4812 0.0000 0.0000 64.0763 31.6141 177.8616 22 S 4.2340 7.9840 115.2264 61.4166 62.6650 176.4139 23 I 3.8021 7.7461 114.5917 62.5857 37.9122 175.5156 24 I 4.2809 7.3332 124.3937 61.6238 37.9244 175.1154 25 T 4.7836 8.6766 119.3947 61.5089 71.3450 171.5218 26 D 4.8304 8.2168 123.0172 52.6744 41.8633 175.4077 27 L 4.2047 8.6021 119.7015 57.3265 41.7698 176.6146 28 D 4.5248 7.2783 115.3247 53.0368 41.4867 175.5899 29 S 4.6691 8.4905 111.8121 59.6710 63.1122 174.4216 30 H 4.8315 8.6529 116.8473 55.4732 29.8159 173.4502 31 S 4.6346 7.5976 114.1670 56.3910 64.7945 173.4859 32 A 4.4595 8.2932 121.8997 52.1472 19.0285 177.0170 33 I 4.5046 8.9780 121.0340 60.3880 39.6814 175.1653 34 T 4.8695 9.0434 121.9703 61.7695 72.4135 172.9480 35 I 4.8286 8.4511 127.0597 58.6198 39.3630 175.2921 36 S 4.6345 8.6692 123.9259 58.2941 63.4230 174.0773 37 L 4.8123 8.2467 122.9066 52.6086 44.0357 175.5976 38 D 4.3286 8.3093 120.0983 57.1740 41.2406 178.0997 39 S 4.8506 7.6524 116.6092 58.0314 64.0501 173.8497 40 M 4.7882 7.6283 117.1095 53.0403 36.0982 173.3484 41 P 4.1686 0.0000 0.0000 62.3374 31.9726 176.5050 42 A 4.3125 8.0001 121.9532 52.1180 19.5040 176.8897 43 I 4.1948 8.3129 120.8610 60.2904 38.9912 174.8207 44 N 4.9256 8.4487 124.7326 51.4350 41.0567 174.1476 45 I 5.2075 8.2899 122.3430 59.8346 41.5785 174.1691 46 A 4.9631 9.1333 126.9132 50.8311 23.3545 175.0136 47 L 4.7166 8.5090 119.9026 53.8578 42.9034 176.9255 48 V 4.1087 8.9454 125.0884 61.6323 33.1098 175.2574 49 N 4.3313 9.4912 127.1069 54.7897 35.7297 174.5377 50 E 3.8780 8.3577 110.5698 57.1085 27.8607 174.6308 51 Q 4.6955 7.6837 116.9516 53.9555 32.9700 174.7109 52 V 4.3958 8.4352 123.1427 62.7798 33.0404 174.1067 53 M 5.2721 9.2979 128.1466 53.7779 35.1235 174.0974 54 L 5.3809 8.8403 125.5466 52.7812 44.8156 175.4700 55 W 5.9854 8.6436 118.5797 55.5497 32.2180 173.3395 56 A 4.9000 9.5655 122.5257 50.5499 22.4331 174.8236 57 N 5.0703 8.5856 119.5623 51.8786 39.8860 174.4032 58 F 4.7569 9.2814 123.7845 55.5802 41.4417 175.5484 59 D 4.8910 9.0437 122.3948 54.6156 41.2043 176.3044 60 A 4.3143 8.4117 126.2574 51.3521 18.8657 175.7956 61 P 4.4712 0.0000 0.0000 61.8723 32.7248 176.7605 62 S 4.3804 8.2567 114.5985 58.0672 65.0726 174.6906 63 D 4.3178 8.5219 121.0865 57.5271 40.5560 178.4471 64 V 3.5910 7.6956 118.3436 65.8214 31.6148 177.8000 65 K 3.9653 8.0768 119.4977 59.3102 32.0253 178.6071 66 L 3.9828 8.0764 120.7835 58.1118 41.7515 178.8669 67 Q 4.0039 7.8664 117.3662 59.0583 28.7296 178.4500 68 S 4.3217 7.7096 112.4372 60.2986 62.8779 175.2975 69 S 4.5876 8.0607 115.7758 58.2636 63.1647 175.6691 70 A 3.9909 8.0280 124.9900 55.5105 18.0729 178.9516 71 Y 4.1169 8.0379 117.1481 61.1486 39.0589 178.0429 72 N 4.0806 8.1131 116.7824 56.1786 38.6331 177.4247 73 I 3.6340 7.8007 121.3565 64.0540 37.1941 178.1819 74 L 3.8749 8.1847 121.6455 58.2156 41.7041 178.7260 75 N 4.1634 7.6850 115.2683 56.0877 38.8105 176.8154 76 L 4.0084 7.5881 121.1896 58.5329 42.0199 179.0593 77 M 4.1347 7.9242 116.9862 57.6550 31.9458 177.7916 78 L 4.3654 7.5963 116.9889 54.3226 42.3162 176.6870 79 M 4.2640 7.2316 120.1695 54.6881 32.4670 176.2761 80 N 4.6866 8.6238 121.2603 53.3073 39.4701 174.6415 81 F 4.6736 9.0067 122.8183 56.4035 41.1927 175.8224 82 S 3.9515 8.2061 125.1168 61.1344 62.9000 175.0926 83 Y 4.3112 7.0543 116.1095 58.1653 38.6880 175.2386 84 S 5.1696 8.1169 115.7330 57.3669 63.4035 174.7959 85 I 3.8812 8.4769 120.2546 63.1757 37.2062 176.6150 86 N 4.8023 8.1472 116.5094 52.0159 37.4423 175.0860 87 E 4.3970 8.3791 116.7226 56.8914 28.8889 173.2747 88 L 5.1866 7.4598 115.0865 53.1899 45.8267 175.4553 89 V 4.2594 8.1500 119.6981 61.6966 32.9191 174.9665 90 E 4.6597 9.3691 127.0138 54.9833 32.0704 174.6987 91 L 5.1699 8.2962 123.3360 53.7827 44.5384 175.1894 92 H 5.0856 9.3633 123.3784 53.8758 32.5828 173.2760 93 R 4.5549 8.5957 120.7397 56.0597 31.1429 176.6437 94 S 4.3741 9.1305 118.4029 57.3790 64.7006 173.7907 95 D 4.1338 8.2938 131.3403 55.7473 41.0545 173.6638 96 E 4.3138 8.5761 114.0551 56.1137 29.5588 174.6549 97 Y 5.4531 8.0226 116.7403 56.6652 42.7456 173.9144 98 L 5.0364 9.2970 123.3426 53.6542 44.2885 174.6430 99 Q 5.2589 9.5584 128.5331 54.3497 31.4278 173.8267 100 L 4.9877 8.9818 129.2961 54.4809 43.7820 175.3042 101 R 5.5434 9.2665 125.9686 55.0905 34.1497 173.8934 102 V 4.8030 9.0381 124.1950 60.1968 35.5355 173.6607 103 V 4.7750 8.4641 122.8245 61.4024 33.6101 174.3201 104 I 5.0413 8.6896 129.4767 60.1348 38.4711 176.3059 105 K 4.2283 9.1519 125.7972 56.1910 32.6422 177.9690 106 D 4.3987 8.7215 121.4136 57.2484 41.3466 178.1898 107 D 4.2017 7.8541 117.7486 56.6800 40.7347 176.5864 108 Y 4.9703 7.5468 114.3268 57.9148 38.2867 176.2225 109 V 4.3266 7.5468 112.1167 61.4878 31.9221 175.9238 110 H 4.8055 8.1774 113.9862 55.1330 29.9670 173.6890 111 D 4.7544 7.8849 119.1095 51.6349 43.7945 175.7023 112 G 3.7149 8.7859 114.9323 48.6978 0.0000 174.5871 113 I 3.8209 7.7605 121.3031 64.1946 37.5410 178.3283 114 V 3.7288 7.9202 118.7279 65.9974 31.4863 177.7784 115 F 4.0496 8.6528 120.3096 60.9030 39.1099 176.8955 116 A 3.9533 8.0578 120.8521 55.1157 18.0930 179.2119 117 E 3.8430 7.9761 117.3307 59.2335 29.5650 179.0917 118 I 3.2921 7.0191 119.3859 64.2200 37.0696 178.2133 119 L 3.9076 7.6350 119.8808 57.9329 41.4021 179.0596 120 H 4.1825 8.3509 118.2249 59.4351 29.8459 177.2671 121 E 4.0584 8.5540 120.5934 59.2587 29.2943 179.0378 122 F 4.1372 8.7947 121.1694 61.3726 39.3640 176.4900 123 Y 4.0230 8.5066 119.4173 60.9335 38.6753 178.1633 124 Q 4.0772 8.2653 118.8960 59.0605 28.7894 179.1167 125 R 3.8307 8.0186 119.1015 59.3092 30.0270 178.9395 126 M 3.9824 7.7993 118.5591 58.3706 31.9142 178.5713 127 E 3.8068 8.0505 118.9185 59.3614 29.3586 179.5698 128 I 3.5775 7.2335 118.4628 64.2507 37.5319 177.9547 129 L 3.8271 7.6405 121.1129 58.0037 41.4808 178.3157 130 N 4.4542 8.4872 117.5928 56.8355 38.6467 177.0029 131 G 3.6634 7.9787 105.7075 46.6352 0.0000 174.9968 132 V 4.2973 7.2501 111.9179 60.9605 32.3119 175.7329 133 L 4.2800 7.5238 124.4461 54.8201 41.7162 176.2201 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 8.29 4.48 0.00 2.02 2.18 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 2.50 2.54 0.00 2 S 7.48 4.24 0.00 4.02 3.69 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 3 N 8.76 4.76 0.00 2.98 3.06 0.00 0.00 7.18 8.31 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 4 I 7.33 3.69 1.85 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 1.49 0.48 0.88 0.00 0.00 5 N 8.04 4.31 0.00 2.72 2.87 0.00 0.00 6.75 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 6 L 7.76 3.83 0.00 1.69 1.81 0.74 0.89 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 7 V 8.12 3.55 2.20 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 1.01 0.00 0.00 1.00 0.00 0.00 8 Q 8.10 3.98 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 9 L 7.75 3.86 0.00 1.64 1.57 0.83 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.83 3.71 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 1.03 0.00 0.00 0.96 0.00 0.00 11 R 8.37 3.98 0.00 2.10 2.05 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 12 D 8.21 4.47 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.27 4.38 0.00 4.23 4.06 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 14 L 8.24 4.04 0.00 1.68 1.69 0.89 0.91 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 15 F 8.22 3.97 0.00 3.50 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 16 T 7.78 4.03 4.40 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 1.24 0.00 0.00 17 I 7.46 3.94 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.71 0.83 0.00 0.00 18 G 7.55 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 C 7.35 4.30 0.00 2.98 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 20 P 0.00 4.31 0.00 2.10 2.01 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 1.96 1.89 0.00 21 P 0.00 4.48 0.00 2.09 2.20 0.00 3.53 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 22 S 7.98 4.23 0.00 3.92 4.08 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 23 I 7.75 3.80 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.69 0.88 0.00 0.00 24 I 7.33 4.28 2.02 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 1.11 0.52 0.90 0.00 0.00 25 T 8.68 4.78 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 1.24 0.00 0.00 26 D 8.22 4.83 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.60 4.20 0.00 1.68 1.77 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.28 4.52 0.00 2.83 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 29 S 8.49 4.67 0.00 3.98 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 30 H 8.65 4.83 0.00 3.20 3.35 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.60 4.63 0.00 4.04 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 32 A 8.29 4.46 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 33 I 8.98 4.50 1.93 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 1.21 0.75 0.92 0.00 0.00 34 T 9.04 4.87 4.17 0.00 0.00 0.00 0.00 0.00 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 35 I 8.45 4.83 1.85 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 1.22 1.67 0.89 0.00 0.00 36 S 8.67 4.63 0.00 3.73 3.77 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 0.00 0.00 0.00 37 L 8.25 4.81 0.00 1.76 1.64 1.16 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.31 4.33 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 S 7.65 4.85 0.00 3.83 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 40 M 7.63 4.79 0.00 1.84 1.89 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 41 P 0.00 4.17 0.00 1.42 1.71 0.00 3.21 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.57 0.00 42 A 8.00 4.31 1.09 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 43 I 8.31 4.19 1.86 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.82 0.85 0.00 0.00 44 N 8.45 4.93 0.00 1.44 1.42 0.00 0.00 6.35 7.09 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 45 I 8.29 5.21 1.85 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.83 1.02 0.00 0.00 46 A 9.13 4.96 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 47 L 8.51 4.72 0.00 1.56 1.65 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.95 4.11 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 0.94 0.00 0.00 0.85 0.00 0.00 49 N 9.49 4.33 0.00 2.88 2.84 0.00 0.00 7.20 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 50 E 8.36 3.88 0.00 2.12 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 0.00 2.21 2.26 0.00 51 Q 7.68 4.70 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 52 V 8.44 4.40 2.20 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 1.20 0.00 0.00 0.89 0.00 0.00 53 M 9.30 5.27 0.00 2.21 1.89 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.69 0.00 54 L 8.84 5.38 0.00 0.80 0.43 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 55 W 8.64 5.99 0.00 3.55 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 56 A 9.57 4.90 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 57 N 8.59 5.07 0.00 2.10 1.82 0.00 0.00 6.98 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 58 F 9.28 4.76 0.00 3.14 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 59 D 9.04 4.89 0.00 2.66 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 60 A 8.41 4.31 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 61 P 0.00 4.47 0.00 2.19 2.06 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 62 S 8.26 4.38 0.00 4.07 4.04 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 63 D 8.52 4.32 0.00 2.76 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 64 V 7.70 3.59 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 0.98 0.00 0.00 0.93 0.00 0.00 65 K 8.08 3.97 0.00 1.93 1.95 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.48 7.81 66 L 8.08 3.98 0.00 1.98 1.77 0.91 0.57 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 67 Q 7.87 4.00 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 68 S 7.71 4.32 0.00 3.87 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 69 S 8.06 4.59 0.00 4.00 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 70 A 8.03 3.99 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 71 Y 8.04 4.12 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.11 4.08 0.00 2.90 2.76 0.00 0.00 7.10 7.09 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 73 I 7.80 3.63 1.93 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 1.28 0.59 0.82 0.00 0.00 74 L 8.18 3.87 0.00 1.92 1.57 0.95 0.52 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 75 N 7.69 4.16 0.00 2.41 2.63 0.00 0.00 7.03 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 76 L 7.59 4.01 0.00 1.66 1.74 0.82 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 77 M 7.92 4.13 0.00 1.99 2.06 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 2.57 2.83 0.00 78 L 7.60 4.37 0.00 1.59 1.69 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 79 M 7.23 4.26 0.00 2.08 2.15 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 2.84 2.49 0.00 80 N 8.62 4.69 0.00 2.72 2.77 0.00 0.00 6.79 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 81 F 9.01 4.67 0.00 3.07 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 82 S 8.21 3.95 0.00 2.85 3.39 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 83 Y 7.05 4.31 0.00 3.03 2.92 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 84 S 8.12 5.17 0.00 4.24 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.48 3.88 1.93 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 1.58 0.77 1.06 0.00 0.00 86 N 8.15 4.80 0.00 2.93 3.07 0.00 0.00 6.52 8.46 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 87 E 8.38 4.40 0.00 2.28 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 0.00 2.22 2.24 0.00 88 L 7.46 5.19 0.00 1.62 1.53 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.15 4.26 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.46 0.00 0.00 90 E 9.37 4.66 0.00 2.10 1.79 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 2.28 2.28 0.00 91 L 8.30 5.17 0.00 1.54 1.47 0.95 0.88 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 92 H 9.36 5.09 0.00 3.08 3.16 0.00 5.66 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 93 R 8.60 4.55 0.00 1.73 1.90 0.00 3.19 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 94 S 9.13 4.37 0.00 3.86 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.29 4.13 0.00 2.90 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 0.00 0.00 0.00 0.00 96 E 8.58 4.31 0.00 1.91 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 1.47 1.47 0.00 97 Y 8.02 5.45 0.00 3.08 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 98 L 9.30 5.04 0.00 1.82 1.60 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 9.56 5.26 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.49 2.79 0.00 100 L 8.98 4.99 0.00 2.00 1.70 0.86 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 101 R 9.27 5.54 0.00 2.03 1.83 0.00 3.30 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 102 V 9.04 4.80 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 0.50 0.00 0.00 0.98 0.00 0.00 103 V 8.46 4.78 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 1.10 0.00 0.00 0.96 0.00 0.00 104 I 8.69 5.04 2.10 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.19 1.32 0.00 0.00 105 K 9.15 4.23 0.00 1.93 1.83 0.00 2.03 0.00 0.00 1.92 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.69 7.81 106 D 8.72 4.40 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.85 4.20 0.00 1.58 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 0.00 0.00 0.00 0.00 108 Y 7.55 4.97 0.00 3.18 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 0.00 109 V 7.55 4.33 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 0.82 0.00 0.00 0.79 0.00 0.00 110 H 8.18 4.81 0.00 3.12 3.25 0.00 5.64 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 0.00 111 D 7.88 4.75 0.00 2.74 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.79 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 0.00 0.00 0.00 113 I 7.76 3.82 2.02 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 1.43 0.60 0.93 0.00 0.00 114 V 7.92 3.73 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 1.04 0.00 0.00 115 F 8.65 4.05 0.00 3.25 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 0.00 116 A 8.06 3.95 1.50 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 0.00 0.00 117 E 7.98 3.84 0.00 2.06 1.90 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 2.32 2.39 0.00 118 I 7.02 3.29 1.29 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 -0.36 0.71 0.00 0.00 119 L 7.64 3.91 0.00 1.73 1.68 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.35 4.18 0.00 3.27 3.52 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.55 4.06 0.00 2.25 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 2.40 2.63 0.00 122 F 8.79 4.14 0.00 3.17 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 0.00 123 Y 8.51 4.02 0.00 3.21 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.27 4.08 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 125 R 8.02 3.83 0.00 1.62 1.76 0.00 3.28 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.74 0.00 126 M 7.80 3.98 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.51 0.00 127 E 8.05 3.81 0.00 2.01 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 1.99 1.64 0.00 128 I 7.23 3.58 1.89 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 1.34 0.53 0.80 0.00 0.00 129 L 7.64 3.83 0.00 1.36 1.16 0.64 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 130 N 8.49 4.45 0.00 3.15 2.96 0.00 0.00 7.13 7.95 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 0.00 131 G 7.98 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.25 4.30 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 0.76 0.00 0.00 0.91 0.00 0.00 133 L 7.52 4.28 0.00 1.64 1.59 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00