NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4267 8.1927 115.2997 57.9660 64.7748 175.3545 4 F 4.1662 8.1710 121.8452 59.0915 39.4210 174.0617 5 E 3.5987 8.2391 116.9955 59.1001 29.6073 178.1651 6 Q 3.9581 8.0044 119.6311 58.2705 29.1608 177.6068 7 A 4.1364 7.2364 121.7694 54.9725 18.8331 179.5998 8 I 3.6479 7.3950 118.4433 64.1989 36.8680 178.9631 9 T 3.7496 7.5104 110.6630 64.9208 68.8054 176.5743 10 Q 4.1007 7.6563 121.9243 58.5673 29.0289 177.7586 11 L 4.1902 8.1435 121.3194 58.4180 42.1447 178.8522 12 F 4.0122 8.9726 117.7572 60.7520 38.9323 177.9935 13 Q 3.9970 8.4713 117.9848 59.0693 28.3982 178.4052 14 Q 4.2345 8.2808 117.0875 57.5228 28.8994 177.3466 15 L 4.4939 7.5741 118.1742 53.1367 43.2467 176.0115 16 S 3.7265 7.6898 114.1929 59.9536 60.7525 171.7885 17 L 4.7212 8.3281 118.7349 52.5190 44.5044 177.1378 18 S 4.2443 8.5088 115.9619 57.9643 62.5453 173.9078 19 I 3.7442 8.3528 129.5441 60.3005 36.9259 174.2286 20 P 4.3051 0.0000 0.0000 63.0899 31.4799 175.3336 21 D 4.7714 8.4489 116.5355 54.6343 41.9851 176.5278 22 T 4.4155 7.4341 105.3243 60.4438 70.5059 173.1317 23 I 3.0467 7.8495 120.4237 61.1671 33.8227 172.7426 24 E 4.1504 7.9891 123.7268 55.1616 30.3866 175.9966 25 P 4.1981 0.0000 0.0000 64.8611 31.5531 176.5112 26 V 4.6228 7.3138 117.0041 61.1575 33.4517 175.2252 27 I 4.4123 9.2394 129.7164 60.1782 39.2407 175.0594 28 G 4.3383 8.6298 111.8412 44.4387 0.0000 172.6369 29 V 4.4369 8.7942 123.8488 60.8264 35.1375 173.6297 30 K 4.9868 8.6875 128.8341 54.5967 34.1701 175.0624 31 V 4.3079 8.5854 127.4029 61.8848 34.2728 174.8465 32 G 4.0278 8.3124 116.2751 47.4658 0.0000 173.7253 33 E 4.1661 8.5686 123.9768 55.8459 29.7164 175.3224 34 F 4.6980 8.2894 120.0833 55.6463 40.0486 174.6158 35 A 4.6781 8.6935 128.5847 51.4305 19.2639 175.8935 36 C 4.8168 9.1799 121.3684 58.9468 30.5705 172.8509 37 H 5.0300 8.9480 121.4870 54.1921 30.6403 174.0834 38 I 5.0279 8.6474 123.3786 60.0624 40.5940 174.4676 39 T 4.5405 8.8409 118.5783 61.3214 71.5549 172.0248 40 E 4.6092 7.9586 127.2308 55.6368 29.8812 175.2759 41 H 4.6601 8.8568 128.3147 54.7296 33.0161 171.8757 42 P 4.4403 0.0000 0.0000 61.3756 33.0787 175.4364 43 V 3.7706 8.0630 117.3450 63.8662 31.3937 176.6137 44 G 3.9895 10.3601 111.9263 45.2407 0.0000 172.5339 45 Q 4.9977 8.0938 119.1594 54.0568 32.3902 174.7620 46 I 4.6176 8.5915 124.9868 60.1420 38.6025 174.2816 47 L 5.2182 9.2790 130.6969 53.8254 44.1508 175.0744 48 M 5.4605 9.0542 125.2599 53.6565 35.8344 174.5368 49 F 5.6049 8.7402 116.9507 56.3371 42.2004 172.8873 50 T 4.8926 9.0694 113.0561 61.0370 71.4020 172.7544 51 L 5.1360 8.5690 126.4020 52.5453 41.9539 174.7863 52 P 4.6931 0.0000 0.0000 62.0964 32.4302 175.9768 53 S 4.6886 8.6353 114.2766 57.1047 64.3433 173.6906 54 L 4.9656 8.2219 126.4816 53.6226 43.8328 174.9237 55 D 4.8123 8.1637 116.6775 53.7663 44.6797 176.1719 56 N 4.4541 8.7869 119.9572 55.3442 38.6594 175.7595 57 N 4.3161 7.5032 116.2570 56.6816 39.2083 174.5902 58 N 4.3509 7.9637 114.6207 53.6532 39.3259 175.6594 59 E 4.4010 8.5414 122.3704 55.0374 32.1429 177.8441 60 K 3.9340 8.4456 119.6364 60.5687 32.3930 179.0641 61 E 3.9564 8.0937 119.1450 59.1777 29.2029 179.3234 62 T 3.8088 7.7185 114.6571 66.6217 68.6212 176.2900 63 L 4.2516 8.0329 120.9122 57.9269 41.6154 179.6609 64 L 4.0731 8.2018 118.8023 57.5536 41.0542 179.5843 65 S 4.0797 8.0997 115.1497 61.4440 62.4401 176.0647 66 H 4.3663 7.6938 117.6354 57.7784 28.4625 176.2581 67 N 4.6490 7.7469 116.6940 51.9842 39.1038 175.0903 68 I 3.5917 6.6040 120.5858 60.4212 38.6391 175.7097 69 F 4.4912 7.6504 121.2332 57.1460 38.5150 174.4016 70 S 4.7094 8.0750 114.7588 57.7346 65.2359 173.7901 71 Q 4.0264 8.6725 118.0891 58.1889 28.6873 175.8047 72 D 4.6803 7.8833 118.8226 52.6686 41.3046 176.6260 73 I 4.0567 8.3563 119.8186 62.0815 38.0530 176.2563 74 L 4.3896 8.2223 120.7423 54.3287 42.0218 176.4426 75 K 3.8885 7.5446 121.8723 55.6661 32.2405 174.7052 76 P 4.4568 0.0000 0.0000 63.1087 32.3564 175.3970 77 I 4.1678 8.1506 122.3769 59.4479 39.2109 174.5150 78 L 4.7710 8.3614 129.2417 54.4048 43.3068 175.4740 79 S 4.8532 9.0218 119.4119 57.2668 67.1986 172.0001 80 W 5.0517 8.7467 128.6991 55.7026 33.5054 174.2586 81 D 4.7166 8.1937 127.7528 52.4272 40.9021 176.6557 82 E 4.5334 8.8877 124.8466 58.5704 30.3289 178.9438 83 V 3.6674 8.0903 119.8204 65.8872 31.5681 177.2556 84 G 3.7506 8.1023 105.7517 45.4916 0.0000 173.5635 85 G 3.9407 9.0310 108.3229 46.3396 0.0000 172.7242 86 H 4.0180 6.5074 112.5925 52.5065 32.3472 170.8029 87 P 4.6325 0.0000 0.0000 62.6807 32.6343 175.8049 88 V 4.6163 8.7670 120.8337 61.2931 35.1664 173.4896 89 L 5.3852 9.0189 130.2556 53.1644 44.1561 175.0129 90 W 6.0213 8.8154 122.3765 55.3144 32.1748 173.1715 91 N 5.3032 9.2928 117.8129 51.8041 40.8860 172.8280 92 R 5.6053 8.7450 117.6206 56.3299 33.2932 173.6449 93 Q 4.7577 8.5698 120.9837 54.0413 32.0484 171.7339 94 P 4.6450 0.0000 0.0000 63.2816 31.8578 176.9506 95 L 4.0167 9.4466 127.1347 56.0671 42.6703 176.8185 96 N 5.0161 7.3242 115.6037 52.6529 37.7401 175.6521 97 N 4.7480 7.9004 112.0550 55.6937 41.1813 173.9900 98 L 4.2536 7.8708 116.4191 55.0353 42.4612 175.3658 99 D 5.0250 8.4380 119.8373 52.4153 44.8387 176.0219 100 N 4.5710 8.5916 116.1471 53.1215 37.1795 174.7278 101 N 4.4795 7.6693 115.3691 53.0951 39.4358 176.1371 102 S 4.2130 7.7952 117.0590 61.8182 63.1607 176.0667 103 L 4.0169 8.0145 120.9931 58.1677 41.3360 179.1047 104 Y 3.8918 8.0069 118.6298 61.1996 38.9950 177.9759 105 T 3.9934 8.0499 116.1339 66.5021 68.4730 176.5415 106 Q 3.9338 8.4364 121.9522 59.1278 29.1126 177.9368 107 L 3.9051 7.7726 121.3587 58.1266 42.0985 178.5222 108 E 3.7706 8.1712 119.3672 59.4273 29.5067 178.7704 109 M 4.0404 8.1177 118.8985 57.9878 32.0215 178.4824 110 L 3.8348 7.9274 120.5083 58.1617 42.2654 179.2168 111 V 3.3597 7.8178 118.2650 66.1241 31.3430 178.0215 112 Q 4.0583 8.2367 117.9161 58.7698 28.3316 179.0493 113 G 3.4721 7.9735 106.7742 47.6152 0.0000 175.7378 114 A 3.8329 7.6741 123.1277 54.6358 18.0135 179.5172 115 E 4.1521 7.9391 116.7152 59.8120 29.6151 179.5851 116 R 4.0993 7.5758 116.9078 58.7977 30.2075 178.4984 117 L 4.1785 7.2582 116.1851 55.6413 42.1202 177.2031 118 Q 4.2644 7.1833 119.7037 55.8889 29.6812 175.6569 119 T 4.4886 8.2304 118.8397 62.0814 70.4578 173.3902 120 S 4.7823 8.3230 122.2563 56.5153 64.8094 175.0511 121 S 4.3639 8.3152 119.7311 58.1312 63.4335 174.3813 122 L 4.0538 8.5661 124.9147 57.5680 42.0224 177.4572 123 I 4.4541 7.3699 118.1856 59.2654 39.7678 175.0069 124 S 4.2924 8.6879 122.8967 57.4111 62.9263 172.7201 125 P 4.5818 0.0000 0.0000 61.0214 32.2625 174.0668 126 P 4.4190 0.0000 0.0000 62.6942 31.8342 175.8437 127 R 4.6452 8.3699 121.7251 54.0044 32.4483 176.0434 128 S 4.4857 8.5679 117.0874 57.9082 64.1065 172.2494 129 F 4.5963 7.4402 114.2099 57.2239 39.5696 174.1021 130 S 4.2247 9.0256 115.8846 58.7389 62.9876 174.3847 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 3 S 8.19 4.43 0.00 3.91 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 4 F 8.17 4.17 0.00 3.36 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 5 E 8.24 3.60 0.00 2.10 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 2.35 2.31 0.00 6 Q 8.00 3.96 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 7 A 7.24 4.14 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 8 I 7.40 3.65 1.37 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 0.88 0.10 0.16 0.00 0.00 9 T 7.51 3.75 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 1.11 0.00 0.00 10 Q 7.66 4.10 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.84 0.00 0.00 0.00 0.00 0.00 2.57 2.40 0.00 11 L 8.14 4.19 0.00 1.99 2.05 0.97 0.90 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 12 F 8.97 4.01 0.00 3.16 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 13 Q 8.47 4.00 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 14 Q 8.28 4.23 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 15 L 7.57 4.49 0.00 1.60 1.56 0.72 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.69 3.73 0.00 4.02 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 17 L 8.33 4.72 0.00 1.37 1.48 0.09 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.51 4.24 0.00 3.87 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 19 I 8.35 3.74 1.84 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 1.36 0.69 0.78 0.00 0.00 20 P 0.00 4.31 0.00 1.93 2.00 0.00 3.35 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.10 0.00 21 D 8.45 4.77 0.00 2.60 2.65 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 0.00 0.00 0.00 0.00 22 T 7.43 4.42 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 1.20 0.00 0.00 23 I 7.85 3.05 1.81 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.31 0.81 0.00 0.00 24 E 7.99 4.15 0.00 2.01 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 2.48 2.36 0.00 25 P 0.00 4.20 0.00 2.10 2.12 0.00 3.70 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 2.05 2.11 0.00 26 V 7.31 4.62 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 0.90 0.00 0.00 0.99 0.00 0.00 27 I 9.24 4.41 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 1.07 0.00 0.00 28 G 8.63 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 0.00 0.00 0.00 0.00 29 V 8.79 4.44 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 0.72 0.00 0.00 0.68 0.00 0.00 30 K 8.69 4.99 0.00 1.74 1.61 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.43 7.81 31 V 8.59 4.31 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 1.01 0.00 0.00 0.86 0.00 0.00 32 G 8.31 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 33 E 8.57 4.17 0.00 1.34 1.68 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 2.05 2.06 0.00 34 F 8.29 4.70 0.00 3.25 2.91 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 0.00 0.00 0.00 35 A 8.69 4.68 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 36 C 9.18 4.82 0.00 2.94 2.79 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 37 H 8.95 5.03 0.00 1.40 2.64 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.65 5.03 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.68 1.11 0.00 0.00 39 T 8.84 4.54 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 1.34 0.00 0.00 40 E 7.96 4.61 0.00 1.16 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 2.31 2.17 0.00 41 H 8.86 4.66 0.00 3.04 3.10 0.00 6.00 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.44 0.00 2.17 2.04 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.87 0.00 43 V 8.06 3.77 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 0.70 0.00 0.00 0.95 0.00 0.00 44 G 10.36 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 0.00 0.00 0.00 45 Q 8.09 5.00 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 46 I 8.59 4.62 1.98 0.00 0.00 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 1.23 1.48 1.07 0.00 0.00 47 L 9.28 5.22 0.00 1.94 1.79 0.97 0.94 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 48 M 9.05 5.46 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 49 F 8.74 5.60 0.00 3.28 3.26 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 50 T 9.07 4.89 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 1.16 0.00 0.00 51 L 8.57 5.14 0.00 1.60 1.66 1.11 1.08 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 52 P 0.00 4.69 0.00 2.21 2.00 0.00 3.95 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 53 S 8.64 4.69 0.00 4.05 3.97 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 54 L 8.22 4.97 0.00 1.76 1.75 1.10 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.16 4.81 0.00 2.76 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 56 N 8.79 4.45 0.00 2.72 2.88 0.00 0.00 6.91 8.00 0.00 0.00 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 7.50 4.32 0.00 2.70 2.85 0.00 0.00 7.17 7.67 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 58 N 7.96 4.35 0.00 2.78 2.78 0.00 0.00 6.92 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 59 E 8.54 4.40 0.00 1.96 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 2.38 2.29 0.00 60 K 8.45 3.93 0.00 1.95 2.05 0.00 1.48 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.52 7.81 61 E 8.09 3.96 0.00 2.05 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 2.38 2.44 0.00 62 T 7.72 3.81 4.37 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 1.23 0.00 0.00 63 L 8.03 4.25 0.00 1.72 1.77 0.96 0.58 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 64 L 8.20 4.07 0.00 1.70 1.70 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.10 4.08 0.00 3.94 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 66 H 7.69 4.37 0.00 3.27 3.30 0.00 5.64 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.75 4.65 0.00 2.79 2.80 0.00 0.00 6.92 7.14 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 68 I 6.60 3.59 1.66 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.25 0.73 0.00 0.00 69 F 7.65 4.49 0.00 3.10 3.07 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 70 S 8.08 4.71 0.00 3.98 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 71 Q 8.67 4.03 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 72 D 7.88 4.68 0.00 2.69 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 73 I 8.36 4.06 1.89 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 1.43 0.60 0.92 0.00 0.00 74 L 8.22 4.39 0.00 1.79 1.74 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.54 3.89 0.00 1.65 1.69 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.34 7.81 76 P 0.00 4.46 0.00 1.98 1.95 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 1.88 2.07 0.00 77 I 8.15 4.17 0.56 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 -0.15 0.74 0.00 0.00 78 L 8.36 4.77 0.00 1.61 1.57 0.98 0.95 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 79 S 9.02 4.85 0.00 4.09 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 0.00 80 W 8.75 5.05 0.00 3.44 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 81 D 8.19 4.72 0.00 2.46 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 0.00 0.00 0.00 82 E 8.89 4.53 0.00 2.24 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 0.00 2.32 2.33 0.00 83 V 8.09 3.67 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 0.72 0.00 0.00 0.89 0.00 0.00 84 G 8.10 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 85 G 9.03 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 86 H 6.51 4.02 0.00 2.87 3.12 0.00 5.46 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.63 0.00 2.16 2.30 0.00 3.44 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 88 V 8.77 4.62 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 0.93 0.00 0.00 0.76 0.00 0.00 89 L 9.02 5.39 0.00 1.79 1.51 0.86 0.51 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 90 W 8.82 6.02 0.00 3.68 3.21 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 91 N 9.29 5.30 0.00 2.83 2.90 0.00 0.00 6.63 7.72 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 92 R 8.75 5.61 0.00 2.24 2.11 0.00 3.18 0.00 0.00 3.98 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 93 Q 8.57 4.76 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 94 P 0.00 4.64 0.00 2.12 2.06 0.00 3.63 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 2.14 2.13 0.00 95 L 9.45 4.02 0.00 1.67 1.83 1.12 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 96 N 7.32 5.02 0.00 2.67 2.89 0.00 0.00 6.66 7.92 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 97 N 7.90 4.75 0.00 2.66 2.80 0.00 0.00 7.25 7.78 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 98 L 7.87 4.25 0.00 1.71 1.63 0.99 1.09 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 99 D 8.44 5.03 0.00 2.83 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 0.00 0.00 0.00 0.00 100 N 8.59 4.57 0.00 2.82 2.91 0.00 0.00 5.85 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 0.00 101 N 7.67 4.48 0.00 2.80 2.98 0.00 0.00 6.13 7.15 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 0.00 102 S 7.80 4.21 0.00 4.01 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 0.00 103 L 8.01 4.02 0.00 1.77 1.81 0.98 0.82 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 0.00 104 Y 8.01 3.89 0.00 3.04 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 0.00 105 T 8.05 3.99 4.47 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 1.26 0.00 0.00 106 Q 8.44 3.93 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 107 L 7.77 3.91 0.00 1.75 1.62 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.17 3.77 0.00 1.84 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 2.28 2.28 0.00 109 M 8.12 4.04 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.94 0.00 110 L 7.93 3.83 0.00 1.85 1.79 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.82 3.36 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 1.10 0.00 0.00 0.93 0.00 0.00 112 Q 8.24 4.06 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 113 G 7.97 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 0.00 0.00 0.00 114 A 7.67 3.83 0.30 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 0.00 115 E 7.94 4.15 0.00 2.08 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 2.62 2.60 0.00 116 R 7.58 4.10 0.00 1.82 1.97 0.00 3.15 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 117 L 7.26 4.18 0.00 1.76 1.72 0.84 0.67 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 0.00 118 Q 7.18 4.26 0.00 2.39 2.36 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 2.44 2.41 0.00 119 T 8.23 4.49 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 1.23 0.00 0.00 120 S 8.32 4.78 0.00 3.85 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 0.00 121 S 8.32 4.36 0.00 3.86 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 0.00 122 L 8.57 4.05 0.00 1.58 1.70 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.37 4.45 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 0.78 0.91 0.00 0.00 124 S 8.69 4.29 0.00 3.85 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 0.00 125 P 0.00 4.58 0.00 2.19 2.05 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 126 P 0.00 4.42 0.00 2.23 2.13 0.00 3.72 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 2.00 1.99 0.00 127 R 8.37 4.65 0.00 1.84 1.90 0.00 3.22 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 128 S 8.57 4.49 0.00 3.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 F 7.44 4.60 0.00 3.09 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 0.00 130 S 9.03 4.22 0.00 3.92 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