NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4589 8.3231 116.7953 57.9788 65.6456 174.2634 2 G 4.0234 7.3601 107.3265 43.7866 0.0000 171.8727 3 R 3.7261 9.1555 123.5719 56.5600 32.5856 177.4568 4 G 3.9043 9.5846 103.4167 46.0596 0.0000 176.5461 5 K 4.5330 8.7024 117.7459 54.9982 35.0899 173.0700 6 Q 4.6936 8.2176 123.2068 54.5402 32.4665 174.3378 7 G 4.0678 8.4876 107.1178 45.6636 0.0000 174.0661 8 G 3.9543 9.6948 108.3041 45.6073 0.0000 173.6174 9 K 4.4686 8.1752 119.4409 55.0012 34.6644 175.8453 10 T 4.4206 8.4224 113.5219 62.6148 70.9668 175.3120 11 R 3.9008 8.2284 120.9045 57.4352 29.3128 175.3891 12 A 4.0008 7.3406 126.1841 48.4793 23.5454 176.5592 13 K 4.2287 8.5745 122.3205 56.2505 32.1097 177.4228 14 A 4.5277 7.8023 116.5466 51.4461 19.3618 175.5934 15 K 4.4020 7.7224 119.1972 55.3102 33.0467 176.8941 16 T 4.2222 7.8033 117.6179 61.5194 70.8943 175.7186 17 R 3.9742 8.4724 120.8234 59.1972 30.0092 179.5976 18 S 4.1497 8.0491 115.0966 61.5934 62.9783 176.5389 19 S 4.1180 8.4578 117.3687 61.6122 62.4460 176.4338 20 R 3.9021 8.0603 121.1219 58.5021 29.8791 177.3760 21 A 4.4702 8.0316 118.0511 51.2293 19.3095 177.1481 22 G 3.7873 7.9913 105.1892 46.5031 0.0000 173.7259 23 L 4.8584 8.0372 118.2439 52.7506 44.5734 176.7655 24 Q 4.3718 9.7618 119.9488 57.9867 29.5730 177.3845 25 F 4.1768 8.5441 115.0991 56.4264 39.7885 173.9692 26 P 4.4826 0.0000 0.0000 62.3201 31.6812 177.3350 27 V 3.7365 8.8457 124.6311 65.7903 31.5694 177.9603 28 G 3.6800 8.1082 105.0368 47.9169 0.0000 175.4436 29 R 3.9238 7.9288 120.9082 59.0966 30.2006 178.5279 30 V 3.6370 7.9611 118.1015 66.1986 31.4683 177.4944 31 H 4.2067 8.5119 118.1578 59.3139 29.6732 177.2879 32 R 3.9234 8.1637 120.5289 59.4397 30.0334 178.4893 33 L 4.0707 8.4047 119.2518 57.7236 41.3598 179.4651 34 L 4.2447 8.2632 119.1002 58.0252 41.7378 179.8451 35 R 4.0592 8.2006 118.0960 59.0619 29.8102 178.9726 36 K 4.2486 8.4576 118.9457 58.6461 32.2680 178.1433 37 G 3.4389 7.8467 103.5577 43.5778 0.0000 172.8925 38 N 4.1171 7.3387 115.5921 54.4735 36.3749 174.5933 39 Y 4.3533 7.3088 116.1053 59.9401 39.0797 176.1060 40 A 4.5654 7.4122 119.2752 50.9880 22.0158 175.6225 41 E 4.1175 8.8221 120.4175 58.4429 29.9555 177.2078 42 R 4.7334 7.7045 115.0496 54.0736 33.7454 174.7652 43 V 4.3158 8.2126 119.1524 60.8125 33.7903 175.8223 44 G 3.8163 8.5352 115.8398 44.9797 0.0000 173.8003 45 A 3.9616 8.6264 122.8680 54.9067 18.7369 180.3430 46 G 3.6896 8.0622 101.6940 47.0080 0.0000 175.7397 47 A 3.9949 7.6684 123.7976 54.7579 18.3658 177.9344 48 P 4.2199 0.0000 0.0000 65.4331 31.4976 178.9382 49 V 3.5653 7.2045 119.0742 66.0804 31.5338 177.3118 50 Y 3.8971 8.2254 119.4365 60.5707 38.6269 177.7300 51 L 4.0433 8.3890 121.2747 58.1420 42.1726 178.5830 52 A 4.0850 8.3740 120.7923 55.2866 18.2496 179.3925 53 A 3.8353 8.0794 119.0980 55.2937 18.3564 180.0789 54 V 3.5443 7.8385 116.6455 66.1759 31.6538 178.2964 55 L 3.9036 8.0623 118.8611 57.5815 41.3742 179.1610 56 E 2.5400 7.7699 119.4139 58.7997 29.5055 178.2013 57 Y 3.9829 7.9374 119.6367 60.7897 38.8918 178.1430 58 L 3.5764 7.9882 119.9443 57.7755 41.5863 179.6598 59 T 3.8036 7.7209 115.5861 66.4986 68.3264 176.5326 60 A 3.9030 7.9069 122.7500 54.9755 18.4846 179.2853 61 E 3.6784 7.7092 117.7840 59.4436 29.6320 178.9827 62 I 3.6911 7.6301 118.6363 63.9804 37.9531 177.8729 63 L 3.9882 8.1164 120.1430 57.4434 41.5163 178.8405 64 E 3.8863 8.4730 119.7472 59.5320 29.6359 179.0136 65 L 3.9849 7.7875 118.1205 57.6944 41.5846 179.5078 66 A 4.2579 8.5029 121.3806 55.0993 18.3146 179.9521 67 G 3.5250 8.4880 104.6640 47.8798 0.0000 175.7688 68 N 4.3279 8.0493 118.3039 56.0746 38.6767 177.3279 69 A 3.9468 8.0350 121.9966 55.0294 18.4861 179.5396 70 A 3.4014 8.0482 119.4316 55.0226 18.3478 179.8003 71 R 3.7731 8.0367 117.2098 59.8276 29.9841 178.4205 72 D 4.3909 8.2114 117.5613 56.7957 40.7340 177.6265 73 N 4.8100 7.5890 114.2736 51.7440 39.4329 174.8897 74 K 3.9031 8.0613 118.0676 57.7971 30.3773 175.2241 75 K 4.7225 8.4504 115.9472 54.9497 35.2449 176.8387 76 T 4.4007 8.4399 109.7515 61.2748 69.9856 174.0378 77 R 4.5585 7.6837 122.7175 54.2373 31.9674 175.0505 78 I 4.0679 8.4094 126.8149 61.1630 37.8889 175.1533 79 I 4.6301 8.0441 117.2127 57.5964 40.8595 174.3054 80 P 4.2001 0.0000 0.0000 65.8994 30.8068 178.5045 81 R 3.8554 8.0049 116.7287 60.1423 29.7541 178.0953 82 H 4.3057 8.0806 115.6260 58.6932 28.5622 177.8572 83 L 3.9758 7.8536 120.4793 57.8200 41.4720 179.1470 84 Q 3.9426 8.2518 119.5460 59.1107 29.1254 178.2139 85 L 3.9588 8.3106 120.1636 57.6372 41.4356 179.2843 86 A 3.9763 7.9610 119.7160 55.2050 18.6387 179.6271 87 V 3.6673 8.0031 116.8736 66.3510 31.4792 178.4950 88 R 4.2320 8.1283 116.3307 58.4877 30.0405 177.7512 89 N 4.7634 7.8641 113.8421 52.4122 39.1546 174.0676 90 D 4.8083 7.3144 121.4609 52.1188 43.0576 175.8334 91 E 3.9254 9.0694 127.5232 59.7614 29.5014 178.7019 92 E 3.9909 8.0720 117.7129 59.4792 29.6315 179.2201 93 L 3.9731 8.8277 119.4290 57.6426 41.3899 179.0001 94 N 4.2928 8.1308 116.5089 56.5096 39.1466 176.6115 95 K 4.0798 7.9664 120.5455 59.4111 32.1445 178.4872 96 L 4.0202 7.9548 119.5558 57.4057 42.2913 178.1110 97 L 4.8277 8.2414 118.5902 54.3407 42.8265 178.9415 98 G 3.7807 7.9753 110.8381 47.9583 0.0000 175.1808 99 R 4.6673 7.8156 118.3126 55.8845 31.1363 175.2713 100 V 4.4477 7.5735 115.9812 61.2159 34.1469 174.4982 101 T 4.5006 8.3910 122.3028 61.7721 70.4286 173.7992 102 I 4.1655 8.1616 127.1042 59.4008 37.8563 175.2333 103 A 4.0281 8.5016 128.9754 53.5256 18.7264 176.4732 104 Q 3.5352 8.6396 118.7638 56.9916 26.4308 175.2595 105 G 3.6965 7.8995 108.4949 45.2795 0.0000 176.4743 106 G 3.8547 7.9700 107.6138 44.9720 0.0000 172.1773 107 V 4.5522 7.9181 111.2945 59.0429 35.5826 174.9989 108 L 4.2441 8.1959 120.7228 53.6574 42.1276 175.7107 109 P 4.2059 0.0000 0.0000 62.8955 31.6196 175.8156 110 N 4.3589 8.3497 118.6000 53.2788 40.5163 173.1811 111 I 4.4734 8.1694 127.0951 59.0405 39.5345 175.9287 112 Q 4.1014 8.5825 124.4017 55.9706 29.5722 177.1352 113 S 4.1232 9.0840 119.3111 62.0771 62.9127 177.3956 114 V 3.7624 7.7587 110.5895 63.5709 31.3187 176.9387 115 L 4.3186 7.8417 118.4891 55.3891 42.0278 177.1757 116 L 4.2354 7.6244 119.3299 53.3620 42.1697 175.0339 117 P 4.5486 0.0000 0.0000 61.7045 32.5448 175.0966 118 K 4.0930 8.9400 114.5184 57.6414 35.7807 175.2305 119 K 3.9091 8.5602 119.7902 57.7738 30.2947 176.5522 120 T 3.1881 8.6724 107.2372 61.3994 66.8293 171.2001 121 E 3.7894 8.0052 117.7333 57.8843 27.2917 175.9478 122 S 4.5221 8.0625 113.4296 59.5347 64.4167 174.7921 123 S 3.5523 7.6292 120.3339 58.6982 63.6464 172.4832 124 K 4.6207 8.5345 113.8872 56.1787 34.0479 177.0987 125 S 4.6422 7.8221 114.6574 58.0070 63.8772 173.2620 126 K 3.8796 8.5394 119.6373 56.1831 28.7669 175.9405 127 S 4.3244 7.3106 121.0187 58.2117 67.6300 175.4139 128 K 4.1903 8.5786 125.3006 57.7141 32.7683 175.8763 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 S 8.32 4.46 0.00 3.88 3.95 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 2 G 7.36 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 3 R 9.16 3.73 0.00 1.94 1.53 0.00 3.56 0.00 0.00 3.23 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 4 G 9.58 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 0.00 0.00 0.00 5 K 8.70 4.53 0.00 1.68 1.63 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.42 7.81 6 Q 8.22 4.69 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.43 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 7 G 8.49 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 0.00 0.00 0.00 8 G 9.69 3.95 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 0.00 0.00 0.00 9 K 8.18 4.47 0.00 1.69 1.71 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.41 7.81 10 T 8.42 4.42 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 11 R 8.23 3.90 0.00 1.77 2.03 0.00 3.35 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 12 A 7.34 4.00 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 13 K 8.57 4.23 0.00 1.91 1.98 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.42 7.81 14 A 7.80 4.53 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.72 4.40 0.00 1.72 1.74 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.40 7.81 16 T 7.80 4.22 4.26 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 0.00 0.00 0.00 1.22 0.00 0.00 17 R 8.47 3.97 0.00 1.90 2.05 0.00 3.17 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 18 S 8.05 4.15 0.00 3.89 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 0.00 19 S 8.46 4.12 0.00 4.02 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 0.00 20 R 8.06 3.90 0.00 1.94 2.21 0.00 3.26 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 21 A 8.03 4.47 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 22 G 7.99 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 0.00 0.00 0.00 23 L 8.04 4.86 0.00 1.64 1.77 0.98 0.79 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 24 Q 9.76 4.37 0.00 2.32 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 25 F 8.54 4.18 0.00 2.94 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 26 P 0.00 4.48 0.00 2.25 2.18 0.00 3.56 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.90 0.00 27 V 8.85 3.74 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.97 0.00 0.00 28 G 8.11 3.68 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 0.00 0.00 0.00 29 R 7.93 3.92 0.00 1.89 2.07 0.00 3.16 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 30 V 7.96 3.64 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 0.99 0.00 0.00 1.10 0.00 0.00 31 H 8.51 4.21 0.00 3.40 3.42 0.00 5.64 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 32 R 8.16 3.92 0.00 1.95 2.03 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 33 L 8.40 4.07 0.00 1.90 1.79 0.96 0.57 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 34 L 8.26 4.24 0.00 1.97 1.82 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.20 4.06 0.00 2.04 1.99 0.00 3.08 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 36 K 8.46 4.25 0.00 1.82 2.03 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.45 7.81 37 G 7.85 3.44 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 0.00 38 N 7.34 4.12 0.00 2.71 2.75 0.00 0.00 6.90 7.34 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 39 Y 7.31 4.35 0.00 3.03 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 40 A 7.41 4.57 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 41 E 8.82 4.12 0.00 1.93 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 2.40 0.00 42 R 7.70 4.73 0.00 1.80 1.79 0.00 3.21 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 43 V 8.21 4.32 2.22 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 0.84 0.00 0.00 1.02 0.00 0.00 44 G 8.54 3.82 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 0.00 0.00 0.00 45 A 8.63 3.96 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 46 G 8.06 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 0.00 0.00 0.00 47 A 7.67 3.99 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 48 P 0.00 4.22 0.00 2.43 2.33 0.00 3.65 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.59 0.00 49 V 7.20 3.57 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 0.99 0.00 0.00 0.95 0.00 0.00 50 Y 8.23 3.90 0.00 3.25 2.83 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 51 L 8.39 4.04 0.00 1.87 1.76 0.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.37 4.08 1.46 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 0.00 0.00 53 A 8.08 3.84 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.84 3.54 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 1.18 0.00 0.00 1.08 0.00 0.00 55 L 8.06 3.90 0.00 1.81 1.74 1.07 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.77 2.54 0.00 1.54 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 2.14 2.08 0.00 57 Y 7.94 3.98 0.00 3.01 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 58 L 7.99 3.58 0.00 1.63 1.60 0.95 0.72 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 59 T 7.72 3.80 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 1.34 0.00 0.00 60 A 7.91 3.90 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 61 E 7.71 3.68 0.00 1.54 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 0.00 2.13 2.24 0.00 62 I 7.63 3.69 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.41 0.98 0.00 0.00 63 L 8.12 3.99 0.00 1.70 1.69 0.95 0.69 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 64 E 8.47 3.89 0.00 2.09 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 0.00 2.29 2.38 0.00 65 L 7.79 3.98 0.00 1.74 1.68 0.95 0.58 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 66 A 8.50 4.26 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 67 G 8.49 3.52 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 0.00 0.00 0.00 68 N 8.05 4.33 0.00 2.99 2.86 0.00 0.00 6.82 7.43 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 69 A 8.03 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.05 3.40 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 71 R 8.04 3.77 0.00 1.96 2.07 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 72 D 8.21 4.39 0.00 2.83 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 73 N 7.59 4.81 0.00 2.79 2.85 0.00 0.00 7.13 7.00 0.00 0.00 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 8.06 3.90 0.00 1.86 1.86 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.38 7.81 75 K 8.45 4.72 0.00 1.72 1.71 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.53 1.56 7.81 76 T 8.44 4.40 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 77 R 7.68 4.56 0.00 1.77 1.85 0.00 3.24 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 78 I 8.41 4.07 1.90 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 1.49 0.66 0.95 0.00 0.00 79 I 8.04 4.63 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.71 0.90 0.00 0.00 80 P 0.00 4.20 0.00 2.31 2.28 0.00 3.59 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 2.10 2.15 0.00 81 R 8.00 3.86 0.00 1.85 1.79 0.00 3.26 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 82 H 8.08 4.31 0.00 3.38 3.49 0.00 5.69 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 83 L 7.85 3.98 0.00 1.86 1.72 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 8.25 3.94 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 85 L 8.31 3.96 0.00 1.87 1.71 0.96 1.17 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 86 A 7.96 3.98 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 87 V 8.00 3.67 2.15 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 1.02 0.00 0.00 0.96 0.00 0.00 88 R 8.13 4.23 0.00 1.81 1.98 0.00 3.39 0.00 0.00 3.33 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.81 0.00 89 N 7.86 4.76 0.00 2.90 2.85 0.00 0.00 6.78 7.36 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 90 D 7.31 4.81 0.00 2.79 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.07 3.93 0.00 2.07 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 2.39 2.42 0.00 92 E 8.07 3.99 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 2.41 2.41 0.00 93 L 8.83 3.97 0.00 1.67 1.70 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.13 4.29 0.00 2.93 3.03 0.00 0.00 7.19 6.24 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 95 K 7.97 4.08 0.00 1.90 1.93 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 96 L 7.95 4.02 0.00 1.66 1.86 0.93 1.11 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 97 L 8.24 4.83 0.00 1.74 1.63 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.98 3.78 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 0.00 0.00 0.00 99 R 7.82 4.67 0.00 1.77 1.90 0.00 3.32 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 100 V 7.57 4.45 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 0.81 0.00 0.00 0.94 0.00 0.00 101 T 8.39 4.50 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 I 8.16 4.17 1.87 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 1.35 0.71 0.91 0.00 0.00 103 A 8.50 4.03 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 0.00 104 Q 8.64 3.54 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 105 G 7.90 3.70 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 0.00 106 G 7.97 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 0.00 0.00 0.00 107 V 7.92 4.55 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 0.78 0.00 0.00 0.93 0.00 0.00 108 L 8.20 4.24 0.00 1.64 1.59 0.89 1.02 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 0.00 109 P 0.00 4.21 0.00 2.04 2.00 0.00 3.71 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 2.03 2.07 0.00 110 N 8.35 4.36 0.00 2.60 2.67 0.00 0.00 7.04 7.94 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 0.00 111 I 8.17 4.47 1.87 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 1.41 0.77 0.91 0.00 0.00 112 Q 8.58 4.10 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 113 S 9.08 4.12 0.00 3.88 3.95 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 0.00 114 V 7.76 3.76 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 0.70 0.00 0.00 0.93 0.00 0.00 115 L 7.84 4.32 0.00 1.75 1.71 0.92 0.84 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 0.00 116 L 7.62 4.24 0.00 1.65 1.59 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.55 0.00 2.25 2.08 0.00 3.93 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 1.98 1.98 0.00 118 K 8.94 4.09 0.00 1.92 1.87 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.09 7.81 119 K 8.56 3.91 0.00 1.99 1.82 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.47 7.81 120 T 8.67 3.19 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 0.00 121 E 8.01 3.79 0.00 2.11 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 2.25 2.39 0.00 122 S 8.06 4.52 0.00 3.90 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 0.00 123 S 7.63 3.55 0.00 4.03 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 0.00 124 K 8.53 4.62 0.00 1.84 1.84 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.37 7.81 125 S 7.82 4.64 0.00 3.83 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 0.00 126 K 8.54 3.88 0.00 1.91 1.88 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.39 7.81 127 S 7.31 4.32 0.00 3.81 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 0.00 128 K 8.58 4.19 0.00 1.68 1.64 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.39 7.81