NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4428 0.0000 0.0000 62.2305 33.1596 176.5027 2 S 4.2821 7.4849 113.9772 59.0908 66.9359 173.0967 3 H 4.3924 8.1873 122.0858 56.2689 27.4537 174.0099 4 S 5.3135 7.2373 109.2094 58.2056 66.2816 176.9626 5 G 4.0236 9.3535 109.7601 45.1971 0.0000 170.8910 6 A 4.3138 9.1281 129.6822 52.2550 18.5743 176.0633 7 A 3.9728 8.9667 122.3166 50.7271 22.8737 174.7989 8 I 4.6935 8.5039 121.3509 59.9022 39.4324 174.6117 9 F 4.3338 8.5321 129.7368 56.4038 41.5034 175.2148 10 E 3.2932 8.3098 124.3747 57.2761 26.7714 175.6680 11 K 3.8835 7.9793 115.0645 56.5139 30.1214 176.4552 12 V 4.3746 7.8583 119.6940 61.3652 33.4611 174.4282 13 S 5.2240 8.3785 118.4536 57.0080 65.8144 173.3757 14 G 3.7452 7.9623 107.7122 46.9031 0.0000 171.2218 15 I 4.9000 8.3014 121.2540 59.5885 39.9659 175.3830 16 I 4.9646 8.4063 126.3974 59.7595 39.1363 174.4513 17 A 5.1640 9.2264 129.3803 50.0939 21.8897 174.6550 18 I 4.8367 8.2159 122.5335 59.5047 39.6523 175.0606 19 N 4.8427 9.0142 124.0727 52.0428 41.4270 174.1335 20 E 4.5228 8.9095 125.0352 56.5264 29.9160 176.9026 21 D 4.4718 8.3976 119.4781 55.7045 41.8452 176.4653 22 V 4.3678 7.5700 112.2387 59.7511 33.5001 174.6807 23 S 5.0225 8.4365 119.3591 56.0093 64.6897 172.0710 24 P 4.7158 0.0000 0.0000 61.8325 32.3077 175.8532 25 A 4.7962 8.2599 123.4524 52.2157 19.6046 176.2670 26 E 5.2658 8.8166 118.9371 54.5057 34.8369 174.1845 27 L 5.1658 9.4282 123.4653 53.6622 45.2259 175.0394 28 T 5.0399 9.4432 123.1735 61.5356 71.7028 172.6039 29 W 5.2127 9.7938 135.0000 55.8278 32.8312 174.6192 30 R 4.2997 8.6759 128.1181 53.9642 31.8449 174.7782 31 S 4.4744 7.8380 121.7921 57.8735 63.2591 175.6637 32 T 4.0384 8.3653 118.6952 66.5486 68.3603 176.1548 33 D 4.4294 7.9679 118.8763 54.9583 41.3154 176.7343 34 G 3.7468 7.3355 107.2459 46.4521 0.0000 174.1289 35 D 4.7048 7.9995 120.0200 54.4507 42.3268 177.0730 36 K 4.8602 7.5324 117.2267 54.6245 36.6265 175.5488 37 V 4.9506 8.4702 121.9136 61.6602 34.8810 173.7600 38 H 5.1601 9.8323 125.5923 54.8529 33.6532 171.9734 39 T 5.1001 8.1300 119.5562 61.7972 71.9366 173.4585 40 V 4.5395 9.0253 124.9881 60.9117 35.5319 174.7891 41 V 4.2929 8.3206 126.7335 60.9259 32.1562 176.9963 42 L 3.9227 8.8963 126.5176 57.3352 41.8017 179.2657 43 S 3.8138 8.0908 112.4400 61.1435 61.9301 174.9505 44 T 4.0905 7.4218 109.6574 63.4518 70.1698 173.3136 45 I 4.0260 7.8792 123.3716 62.1936 36.8971 175.0717 46 D 4.7167 9.6342 128.3531 55.2208 42.3210 176.6264 47 K 4.6948 7.8495 116.5614 55.0738 36.8832 174.6023 48 L 4.9879 8.5880 124.0096 53.1547 43.7405 175.6200 49 Q 4.8120 9.7019 124.0808 54.0952 31.2594 174.6865 50 A 5.1928 8.3611 124.5479 50.3867 22.4689 175.5995 51 T 4.2487 8.4035 112.8368 60.4173 69.8997 173.2045 52 P 4.3433 0.0000 0.0000 62.5783 32.0628 177.0582 53 A 4.0125 8.6441 123.5756 55.3991 18.4819 179.4071 54 S 4.1460 8.0660 109.0503 60.7934 63.1401 174.3021 55 S 4.4624 7.6138 116.1694 56.8757 62.2911 173.8256 56 E 4.0002 8.8625 127.9505 58.7308 29.4290 177.2095 57 K 4.0112 7.5567 117.8038 56.8732 31.7487 176.0270 58 M 4.5388 8.2888 124.5475 54.5077 33.2757 175.5407 59 M 4.5727 8.3763 121.4040 55.4400 36.1790 173.1911 60 L 5.1728 9.3651 125.4187 53.9627 46.0086 174.5554 61 R 5.2839 9.8414 126.3494 54.4380 33.4238 174.6378 62 L 5.1324 8.8217 122.9577 53.0663 44.6352 175.3116 63 I 4.7942 8.9381 125.1013 59.6054 39.4430 175.0905 64 G 4.2667 9.3862 115.8459 44.5199 0.0000 173.4528 65 K 4.4126 9.0317 123.0531 56.6634 32.9736 177.0948 66 V 4.6538 7.4246 121.1027 62.7256 34.3778 174.2000 67 D 4.6915 8.0027 109.4890 54.5514 43.2603 177.3621 68 E 3.9768 7.7131 120.3131 59.2828 30.1751 180.1930 69 S 4.2731 8.0290 113.6924 60.8950 63.1351 175.7239 70 K 3.9344 8.1427 119.9818 57.5295 31.7939 175.3396 71 K 3.8424 7.6945 121.0801 56.6613 29.2831 174.1298 72 R 4.5732 7.9558 120.6884 54.6579 32.1094 175.8993 73 K 4.7392 8.5265 122.1248 55.9655 33.6124 176.0974 74 D 4.7622 9.3894 124.7767 52.8245 43.0229 176.9741 75 N 4.3535 8.8076 117.5659 55.9070 38.5133 176.0378 76 E 4.2113 8.1681 115.6792 56.1208 29.7225 177.0217 77 G 3.9182 8.4175 107.3832 45.7032 0.0000 173.0570 78 N 5.0959 7.5898 116.2547 50.9310 41.4867 174.2442 79 E 4.4906 8.7287 121.5068 56.7166 30.7491 176.4917 80 V 4.4885 9.1623 115.2693 59.7518 36.5832 175.4665 81 V 4.2168 8.2632 122.4785 60.4156 30.7959 173.7295 82 P 4.3611 0.0000 0.0000 62.6022 31.9496 175.9153 83 K 4.6875 8.0752 118.0354 53.8796 34.8066 174.8351 84 P 4.4748 0.0000 0.0000 62.3407 32.1756 176.4842 85 Q 4.2637 8.1053 119.4567 56.2909 30.0437 175.8661 86 R 5.0108 8.2210 121.3017 55.6551 34.0558 174.2120 87 H 5.0546 9.8292 122.2944 54.3534 32.1454 173.5115 88 M 5.0041 8.1711 119.1404 54.0154 34.5676 174.3874 89 F 5.0580 9.9541 124.3310 55.6693 43.8105 173.8146 90 S 5.0930 8.8088 115.2308 56.6564 65.2507 172.9086 91 F 5.2003 9.1051 124.0353 56.0665 41.8788 174.6167 92 N 4.8155 9.1492 115.9973 53.2402 40.5118 174.7604 93 N 4.9594 8.0510 115.6827 51.0878 40.3403 175.0992 94 R 3.9531 8.8222 123.6945 59.7466 30.0062 179.1730 95 T 3.8075 7.7883 114.8970 66.4745 68.5879 176.6035 96 V 3.5566 7.6991 120.3332 66.3366 31.5447 177.9926 97 M 2.7529 7.6438 116.0210 58.0056 30.9831 177.9734 98 D 4.2211 8.0276 120.0569 57.0837 40.8093 178.5339 99 N 4.2915 8.0380 117.1226 56.1526 38.5760 177.4903 100 I 3.6859 7.4035 121.1690 64.3850 37.0700 178.4937 101 K 4.0021 8.0712 120.4673 59.4303 31.6732 178.5155 102 M 4.0147 7.4843 117.4578 58.7236 32.5565 178.0576 103 T 3.9563 8.5756 116.9099 66.5660 68.5951 176.7588 104 L 4.0196 8.4882 121.2438 57.9628 41.6400 179.5999 105 Q 4.0653 7.8544 117.9009 59.0674 28.2729 178.9522 106 Q 4.0653 7.8931 118.6545 58.5470 28.7694 178.8470 107 I 3.8384 7.5271 120.6056 64.4958 37.4303 177.8261 108 I 3.8014 7.7600 120.5788 64.7534 36.9812 178.2352 109 S 4.2352 8.2121 113.6588 61.7485 61.8382 176.7927 110 R 3.8305 7.4257 119.7533 59.2400 30.0467 178.0261 111 Y 4.2767 7.8875 115.8016 60.1341 38.1681 178.1793 112 K 4.1372 8.7196 120.0683 59.6482 31.9718 179.0031 113 D 4.3873 8.1156 117.7364 57.3670 40.7682 178.4633 114 A 4.1175 7.5837 119.0806 54.1660 18.4289 176.8472 115 D 4.4857 7.7558 120.1772 54.3798 41.3938 175.6008 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 P 0.00 4.44 0.00 2.34 2.21 0.00 3.70 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 1.88 2.00 0.00 2 S 7.48 4.28 0.00 3.99 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 3 H 8.19 4.39 0.00 3.53 3.68 0.00 5.89 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 7.24 5.31 0.00 3.94 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 5 G 9.35 4.02 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 0.00 0.00 0.00 6 A 9.13 4.31 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 7 A 8.97 3.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.50 4.69 1.98 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 1.16 0.73 0.89 0.00 0.00 9 F 8.53 4.33 0.00 1.51 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 10 E 8.31 3.29 0.00 1.69 1.61 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 1.47 1.47 0.00 11 K 7.98 3.88 0.00 1.84 1.93 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.19 1.24 7.81 12 V 7.86 4.37 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 1.39 0.00 0.00 1.06 0.00 0.00 13 S 8.38 5.22 0.00 4.03 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 14 G 7.96 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 0.00 0.00 0.00 15 I 8.30 4.90 1.81 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 1.21 0.89 0.97 0.00 0.00 16 I 8.41 4.96 2.16 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.20 0.96 0.00 0.00 17 A 9.23 5.16 1.19 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 0.00 0.00 18 I 8.22 4.84 1.89 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 1.10 0.67 0.96 0.00 0.00 19 N 9.01 4.84 0.00 2.73 2.64 0.00 0.00 7.03 7.26 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 20 E 8.91 4.52 0.00 2.00 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 2.33 2.36 0.00 21 D 8.40 4.47 0.00 2.65 2.77 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 22 V 7.57 4.37 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 0.70 0.00 0.00 1.00 0.00 0.00 23 S 8.44 5.02 0.00 3.86 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 24 P 0.00 4.72 0.00 1.97 1.89 0.00 3.54 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 1.93 2.04 0.00 25 A 8.26 4.80 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.82 5.27 0.00 1.88 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 2.21 2.38 0.00 27 L 9.43 5.17 0.00 1.55 1.41 0.76 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 28 T 9.44 5.04 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 1.20 0.00 0.00 29 W 9.79 5.21 0.00 3.20 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 30 R 8.68 4.30 0.00 1.61 1.49 0.00 3.12 0.00 0.00 2.91 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.55 0.00 31 S 7.84 4.47 0.00 3.58 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 32 T 8.37 4.04 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 33 D 7.97 4.43 0.00 2.64 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 34 G 7.34 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 0.00 0.00 0.00 35 D 8.00 4.70 0.00 2.68 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 36 K 7.53 4.86 0.00 1.85 2.03 0.00 1.58 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.61 7.81 37 V 8.47 4.95 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 0.79 0.00 0.00 0.85 0.00 0.00 38 H 9.83 5.16 0.00 3.29 2.87 0.00 5.77 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 39 T 8.13 5.10 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 1.20 0.00 0.00 40 V 9.03 4.54 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 0.99 0.00 0.00 0.86 0.00 0.00 41 V 8.32 4.29 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 0.73 0.00 0.00 0.91 0.00 0.00 42 L 8.90 3.92 0.00 1.90 1.79 0.98 0.90 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 43 S 8.09 3.81 0.00 3.32 3.67 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 44 T 7.42 4.09 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 1.25 0.00 0.00 45 I 7.88 4.03 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.83 0.94 0.00 0.00 46 D 9.63 4.72 0.00 2.70 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 47 K 7.85 4.69 0.00 1.72 1.64 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.48 7.81 48 L 8.59 4.99 0.00 1.51 1.58 0.97 0.91 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 49 Q 9.70 4.81 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 50 A 8.36 5.19 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 51 T 8.40 4.25 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 1.32 0.00 0.00 52 P 0.00 4.34 0.00 2.24 2.23 0.00 3.71 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 2.08 1.98 0.00 53 A 8.64 4.01 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 54 S 8.07 4.15 0.00 3.99 4.02 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 S 7.61 4.46 0.00 3.90 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 56 E 8.86 4.00 0.00 2.01 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 2.33 2.30 0.00 57 K 7.56 4.01 0.00 1.77 1.81 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.57 7.81 58 M 8.29 4.54 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.75 0.00 59 M 8.38 4.57 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 60 L 9.37 5.17 0.00 1.97 1.94 0.90 0.00 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 61 R 9.84 5.28 0.00 1.76 1.84 0.00 3.16 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.63 0.00 62 L 8.82 5.13 0.00 1.92 1.70 1.03 0.69 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 63 I 8.94 4.79 2.03 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 1.23 1.33 0.97 0.00 0.00 64 G 9.39 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 0.00 0.00 0.00 0.00 65 K 9.03 4.41 0.00 1.59 1.75 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.61 7.81 66 V 7.42 4.65 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 0.75 0.00 0.00 0.96 0.00 0.00 67 D 8.00 4.69 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.71 3.98 0.00 2.02 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 2.56 2.34 0.00 69 S 8.03 4.27 0.00 3.86 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 70 K 8.14 3.93 0.00 1.78 1.87 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.63 1.55 7.81 71 K 7.69 3.84 0.00 1.91 1.85 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.43 7.81 72 R 7.96 4.57 0.00 1.79 1.83 0.00 3.27 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 73 K 8.53 4.74 0.00 1.64 1.73 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.37 7.81 74 D 9.39 4.76 0.00 2.77 2.63 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 75 N 8.81 4.35 0.00 2.75 2.87 0.00 0.00 6.89 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 76 E 8.17 4.21 0.00 1.93 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 0.00 2.28 2.36 0.00 77 G 8.42 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 78 N 7.59 5.10 0.00 2.63 2.70 0.00 0.00 7.06 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 79 E 8.73 4.49 0.00 1.85 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 2.31 2.34 0.00 80 V 9.16 4.49 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 0.84 0.00 0.00 0.99 0.00 0.00 81 V 8.26 4.22 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 0.87 0.00 0.00 0.93 0.00 0.00 82 P 0.00 4.36 0.00 2.07 2.01 0.00 3.68 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 2.04 2.14 0.00 83 K 8.08 4.69 0.00 1.68 1.68 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.47 7.81 84 P 0.00 4.47 0.00 2.03 1.97 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 85 Q 8.11 4.26 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 86 R 8.22 5.01 0.00 1.61 1.79 0.00 3.17 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.82 0.00 87 H 9.83 5.05 0.00 3.36 3.38 0.00 5.56 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 88 M 8.17 5.00 0.00 1.76 1.82 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 89 F 9.95 5.06 0.00 3.23 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 90 S 8.81 5.09 0.00 3.83 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 91 F 9.11 5.20 0.00 2.92 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 92 N 9.15 4.82 0.00 2.76 2.90 0.00 0.00 6.81 8.04 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 93 N 8.05 4.96 0.00 2.78 2.75 0.00 0.00 7.20 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 94 R 8.82 3.95 0.00 1.89 2.00 0.00 3.20 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 95 T 7.79 3.81 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 1.20 0.00 0.00 96 V 7.70 3.56 2.31 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 1.37 0.00 0.00 1.00 0.00 0.00 97 M 7.64 2.75 0.00 1.45 1.93 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 2.67 2.68 0.00 98 D 8.03 4.22 0.00 2.87 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 99 N 8.04 4.29 0.00 2.83 2.93 0.00 0.00 6.93 6.87 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 0.00 100 I 7.40 3.69 1.66 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.82 0.86 0.00 0.00 101 K 8.07 4.00 0.00 1.83 1.73 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.42 7.81 102 M 7.48 4.01 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 103 T 8.58 3.96 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 1.11 0.00 0.00 104 L 8.49 4.02 0.00 1.69 1.72 0.89 0.86 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 0.00 105 Q 7.85 4.07 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 106 Q 7.89 4.07 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 107 I 7.53 3.84 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.37 1.15 0.00 0.00 108 I 7.76 3.80 1.91 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 1.68 1.01 0.99 0.00 0.00 109 S 8.21 4.24 0.00 3.97 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 0.00 110 R 7.43 3.83 0.00 1.93 1.56 0.00 3.10 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 111 Y 7.89 4.28 0.00 3.17 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 0.00 112 K 8.72 4.14 0.00 1.90 1.89 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.63 7.81 113 D 8.12 4.39 0.00 2.67 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 0.00 114 A 7.58 4.12 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 0.00 115 D 7.76 4.49 0.00 2.66 2.55 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