NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2763 8.3001 120.3257 55.3370 32.3701 174.6101 2 A 4.4008 8.4278 128.0699 50.2364 19.5629 175.2911 3 S 4.3902 8.3879 118.8312 57.2032 64.7804 170.4700 4 E 4.2903 8.3377 123.2387 54.3992 28.7982 174.8917 5 E 4.4846 8.4604 123.5962 55.1666 32.0971 176.5800 6 G 3.8386 8.7478 106.1304 45.1728 0.0000 173.0915 7 Q 4.6421 7.5972 116.3941 53.8874 31.0247 174.8025 8 V 4.5114 8.0669 119.4469 61.1774 34.5101 174.8386 9 I 4.1959 8.9445 128.5594 60.5868 38.1668 174.8924 10 A 4.7470 8.5707 130.2765 50.9988 19.4896 176.2500 11 C 4.4101 8.5705 121.5821 59.8472 28.5557 173.8972 12 H 4.7148 8.9700 120.5530 55.8305 29.1719 175.2376 13 T 4.7608 7.2065 109.7483 59.2864 73.0352 174.6909 14 V 3.8376 8.3976 120.8497 65.7165 31.6347 178.2302 15 E 3.9938 8.2082 118.2907 59.8573 29.3965 179.1851 16 T 3.9493 7.6549 114.6136 66.1922 68.4748 176.4436 17 W 4.3751 8.0401 130.4249 60.6239 30.6740 177.5101 18 N 4.0442 8.8535 117.0856 56.6047 38.5346 176.2164 19 E 3.8849 8.5712 121.0798 59.5974 29.6712 178.9378 20 Q 3.9693 8.2071 117.9470 58.7950 28.8108 178.5716 21 L 3.7825 7.5620 120.0802 57.6064 41.4950 179.2577 22 Q 3.8890 8.2206 119.8970 59.0137 28.9415 178.3168 23 K 3.8640 7.8797 119.9040 59.4904 32.1806 178.6399 24 A 3.9346 8.3695 121.4910 54.9445 18.0690 179.2325 25 N 4.7245 8.1334 116.8898 56.5512 38.9314 177.1152 26 E 3.9270 8.1461 118.7244 59.6032 29.5867 178.4562 27 S 4.3365 8.6208 111.8939 58.2295 63.1374 174.1020 28 K 3.8513 7.3753 118.8015 57.6710 29.9356 175.4287 29 T 4.4021 7.9100 114.7118 62.5534 70.5294 174.4140 30 L 4.5702 8.3498 127.5544 54.6466 43.5954 175.6626 31 V 4.7578 8.2260 124.3154 59.7504 34.9351 174.5472 32 V 4.6416 8.5987 123.5185 61.0616 34.2440 174.0539 33 V 4.8125 8.9575 128.2634 61.0481 34.3638 173.5809 34 D 4.4789 8.7088 127.7911 52.3442 43.0463 174.8221 35 F 4.6850 8.7753 126.6643 56.7869 40.3705 175.2353 36 T 4.7498 8.6967 117.9747 61.0288 71.7425 171.6113 37 A 4.6568 7.7768 122.9780 49.7748 21.6427 177.5641 38 S 3.9670 9.1431 117.3422 60.5480 62.6438 174.9667 39 W 4.6307 7.4386 114.9856 56.5473 28.5340 176.4728 40 C 4.9206 7.7815 120.8166 55.7088 45.7225 173.4268 41 G 3.6603 8.8424 115.9131 47.6749 0.0000 173.4911 42 P 4.3676 0.0000 0.0000 64.9678 31.3199 179.6267 43 C 4.3621 8.0805 114.3839 59.8724 35.5839 175.5019 44 R 3.9353 8.0882 120.4145 59.0815 29.4627 178.2721 45 F 4.1413 8.2715 120.0759 60.8355 39.5816 176.2836 46 I 4.0804 8.1358 116.9659 62.0871 37.9867 177.2938 47 A 4.1319 7.6489 122.4742 55.1837 18.2485 177.7672 48 P 4.2335 0.0000 0.0000 65.9659 31.1021 178.3188 49 F 4.1411 8.0532 120.7798 60.9996 39.3327 177.0165 50 F 3.9193 8.2354 119.7876 60.9361 39.2765 176.9308 51 A 3.7861 8.1220 120.6497 54.7219 18.0770 179.1226 52 D 4.0585 7.8572 116.8456 57.2617 41.1941 178.3435 53 L 3.5471 7.3475 119.3404 57.6971 41.3242 179.4713 54 A 3.3581 6.3489 118.9395 54.6226 18.1970 179.3003 55 K 4.0177 7.4345 117.6467 58.9637 32.3142 178.4224 56 K 4.4874 7.5825 116.5305 55.8245 33.8433 176.7119 57 L 4.6931 7.8467 120.1594 52.1210 41.6517 174.8921 58 P 4.4916 0.0000 0.0000 64.3176 32.0530 177.5462 59 N 4.4927 8.0859 115.8680 54.3024 39.3271 174.0794 60 V 4.3467 7.0633 116.8302 61.4617 33.6771 174.5295 61 L 4.3469 8.5769 130.6441 54.2706 43.2584 175.0759 62 F 5.3800 8.7735 124.8241 55.8786 41.9957 174.7293 63 L 5.3676 9.0860 121.3686 53.0834 46.2666 175.4650 64 K 4.6281 8.9781 123.1550 54.7867 34.2932 175.4223 65 V 4.1227 8.2885 126.3670 60.8709 33.5760 173.7876 66 D 5.0782 8.1875 128.6185 53.4000 42.0058 177.0330 67 T 3.9767 9.1127 117.3611 64.1275 69.3898 176.3768 68 D 4.4488 8.1725 121.8858 56.8733 41.3859 176.9202 69 E 4.0250 8.0419 119.1226 58.2269 30.7111 177.6337 70 L 4.6030 8.3430 119.6536 53.5052 38.9161 177.7167 71 K 4.2566 7.5027 122.9797 59.7104 33.3710 179.4591 72 S 4.2106 8.0074 115.8940 61.0608 62.8303 176.6341 73 V 3.7255 7.7423 120.4540 66.0524 31.4474 177.8254 74 A 3.8935 8.1902 120.5994 55.2221 17.7219 179.7730 75 S 4.2899 7.9498 113.3785 61.4716 62.6776 176.2460 76 D 4.3839 7.8552 119.8350 56.8161 41.1724 177.7745 77 W 4.0895 8.5519 117.0872 56.2525 30.5305 175.4930 78 A 3.4958 7.3080 120.8594 52.9584 15.1556 178.0882 79 I 4.1382 8.3219 121.1979 59.2644 37.8863 175.6601 80 Q 4.3108 8.5198 126.3839 56.2955 30.6404 175.6242 81 A 4.5371 7.7503 119.9421 50.9613 20.0719 175.9736 82 M 4.6566 8.4112 121.7078 52.7463 35.1479 173.6297 83 P 4.7434 0.0000 0.0000 61.9778 34.3758 174.3195 84 T 5.0684 8.3599 117.7173 61.9600 71.1682 173.1929 85 F 5.1006 9.4478 125.9477 56.0495 41.3567 174.3079 86 M 5.0780 9.6160 124.9241 53.8566 34.7593 174.2351 87 F 5.0154 9.9147 125.7355 56.1363 40.4686 175.0609 88 L 5.4228 9.0893 123.6564 52.7133 46.0601 175.4973 89 K 4.6103 9.0982 121.3893 55.3141 35.3793 176.1589 90 E 4.1131 9.2899 124.8574 56.8300 26.8549 176.1737 91 G 4.0141 8.5764 107.4363 45.0093 0.0000 174.0194 92 K 4.5224 7.8291 120.1548 54.4202 33.5227 176.0925 93 I 4.1593 8.4264 124.9152 61.8236 37.5890 174.8197 94 L 4.7447 8.5984 124.9974 55.7137 42.7622 176.0877 95 D 4.9713 8.5142 116.6358 52.4072 42.9532 173.7009 96 K 5.4592 8.7465 117.9941 55.3720 36.4029 175.2852 97 V 4.6044 9.6240 122.2625 61.2407 33.8904 174.5480 98 V 4.4393 8.8080 128.2739 61.8358 32.4184 177.0494 99 G 3.9457 9.0630 110.2271 45.0251 0.0000 172.4790 100 A 4.3610 8.3036 122.1658 51.5148 18.2840 177.6922 101 K 4.5100 8.4811 122.4255 54.9864 34.2796 177.4673 102 K 3.7887 8.7949 125.6128 59.5644 32.3971 177.7582 103 D 4.3998 8.1121 117.8861 57.1935 41.7130 177.7278 104 E 3.9637 8.1560 119.1081 58.9004 29.5897 178.0875 105 L 3.9699 7.7372 120.2421 58.4366 42.0593 178.9514 106 Q 4.1494 7.7518 117.2118 59.3174 28.7557 179.2809 107 S 4.2048 7.8688 115.5726 61.8005 62.4243 176.6926 108 T 3.8414 7.9735 118.5814 66.3168 68.0626 177.0580 109 I 3.6342 8.1642 122.0688 64.3725 36.9910 178.3202 110 A 3.9964 8.1865 120.6525 54.8478 18.1683 179.1641 111 K 3.9235 7.6564 117.2961 59.9978 32.3627 178.1898 112 H 4.7334 7.5104 113.1378 56.0561 29.1274 175.2657 113 L 4.1149 7.7782 122.2899 55.1937 41.0937 176.4092 114 A 4.1226 8.2305 128.0764 52.9207 18.9220 175.7612 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 4.28 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 -0.22 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 A 8.43 4.40 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 3 S 8.39 4.39 0.00 3.79 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 4 E 8.34 4.29 0.00 1.91 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 2.21 2.26 0.00 5 E 8.46 4.48 0.00 2.03 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 2.15 2.31 0.00 6 G 8.75 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 7 Q 7.60 4.64 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 8 V 8.07 4.51 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 1.11 0.00 0.00 0.82 0.00 0.00 9 I 8.94 4.20 1.91 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 1.18 0.48 0.95 0.00 0.00 10 A 8.57 4.75 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 11 C 8.57 4.41 0.00 2.81 3.17 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 0.00 12 H 8.97 4.71 0.00 3.13 3.39 0.00 5.67 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 13 T 7.21 4.76 4.60 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 1.25 0.00 0.00 14 V 8.40 3.84 2.18 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 1.38 0.00 0.00 1.00 0.00 0.00 15 E 8.21 3.99 0.00 2.14 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 2.43 2.51 0.00 16 T 7.65 3.95 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 1.26 0.00 0.00 17 W 8.04 4.38 0.00 3.28 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 18 N 8.85 4.04 0.00 2.90 3.01 0.00 0.00 6.96 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 19 E 8.57 3.88 0.00 2.25 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 0.00 2.31 2.40 0.00 20 Q 8.21 3.97 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 21 L 7.56 3.78 0.00 1.48 1.46 -0.25 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.22 3.89 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 23 K 7.88 3.86 0.00 1.95 1.92 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.43 7.81 24 A 8.37 3.93 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 25 N 8.13 4.72 0.00 2.94 2.98 0.00 0.00 7.09 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 26 E 8.15 3.93 0.00 2.00 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 0.00 2.61 2.41 0.00 27 S 8.62 4.34 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 28 K 7.38 3.85 0.00 1.84 2.02 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.55 7.81 29 T 7.91 4.40 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 1.18 0.00 0.00 30 L 8.35 4.57 0.00 1.71 1.47 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.23 4.76 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 0.87 0.00 0.00 0.88 0.00 0.00 32 V 8.60 4.64 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 0.56 0.00 0.00 0.66 0.00 0.00 33 V 8.96 4.81 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 0.07 0.00 0.00 0.97 0.00 0.00 34 D 8.71 4.48 0.00 1.58 1.54 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 35 F 8.78 4.68 0.00 2.84 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 36 T 8.70 4.75 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 1.03 0.00 0.00 37 A 7.78 4.66 -0.07 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 38 S 9.14 3.97 0.00 3.74 3.87 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 0.00 0.00 0.00 0.00 39 W 7.44 4.63 0.00 3.45 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 40 C 7.78 4.92 0.00 2.56 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 41 G 8.84 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 42 P 0.00 4.37 0.00 2.20 2.14 0.00 3.63 0.00 0.00 3.79 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 43 C 8.08 4.36 0.00 3.01 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 44 R 8.09 3.94 0.00 2.08 2.13 0.00 3.31 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 45 F 8.27 4.14 0.00 3.06 3.29 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 46 I 8.14 4.08 2.18 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 1.77 1.37 1.23 0.00 0.00 47 A 7.65 4.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.23 0.00 2.24 2.29 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.90 0.00 49 F 8.05 4.14 0.00 3.03 3.31 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 50 F 8.24 3.92 0.00 3.30 3.22 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 0.00 51 A 8.12 3.79 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 52 D 7.86 4.06 0.00 2.81 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.35 3.55 0.00 0.97 1.10 0.83 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 54 A 6.35 3.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.43 4.02 0.00 1.77 1.93 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.56 7.81 56 K 7.58 4.49 0.00 1.64 1.80 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.12 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.47 7.81 57 L 7.85 4.69 0.00 2.07 1.70 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.49 0.00 2.18 2.17 0.00 3.80 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 1.94 0.00 59 N 8.09 4.49 0.00 2.68 2.86 0.00 0.00 6.78 7.70 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 60 V 7.06 4.35 1.81 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 0.10 0.00 0.00 0.86 0.00 0.00 61 L 8.58 4.35 0.00 1.70 1.39 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.77 5.38 0.00 2.88 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 63 L 9.09 5.37 0.00 1.63 1.60 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.98 4.63 0.00 1.55 1.56 0.00 1.47 0.00 0.00 1.69 0.00 0.00 2.73 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.50 7.81 65 V 8.29 4.12 1.13 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 0.42 0.00 0.00 -0.38 0.00 0.00 66 D 8.19 5.08 0.00 2.56 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 0.00 0.00 0.00 0.00 67 T 9.11 3.98 4.16 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 1.14 0.00 0.00 68 D 8.17 4.45 0.00 2.97 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 69 E 8.04 4.03 0.00 2.03 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 2.22 2.42 0.00 70 L 8.34 4.60 0.00 1.54 1.41 0.67 1.05 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 71 K 7.50 4.26 0.00 2.01 2.27 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.41 7.81 72 S 8.01 4.21 0.00 3.92 3.98 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 73 V 7.74 3.73 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 0.81 0.00 0.00 0.94 0.00 0.00 74 A 8.19 3.89 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 75 S 7.95 4.29 0.00 4.09 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 76 D 7.86 4.38 0.00 2.77 2.96 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 77 W 8.55 4.09 0.00 2.99 3.05 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 78 A 7.31 3.50 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 79 I 8.32 4.14 1.62 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.36 0.75 0.00 0.00 80 Q 8.52 4.31 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 81 A 7.75 4.54 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 82 M 8.41 4.66 0.00 1.81 1.88 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.36 0.00 83 P 0.00 4.74 0.00 1.59 1.86 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 84 T 8.36 5.07 4.21 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 1.33 0.00 0.00 85 F 9.45 5.10 0.00 3.18 2.90 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 86 M 9.62 5.08 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.73 0.00 87 F 9.91 5.02 0.00 3.37 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 88 L 9.09 5.42 0.00 1.73 1.70 1.07 0.65 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 89 K 9.10 4.61 0.00 1.81 1.65 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.41 7.81 90 E 9.29 4.11 0.00 2.24 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 2.44 2.25 0.00 91 G 8.58 4.01 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 0.00 0.00 0.00 92 K 7.83 4.52 0.00 2.05 1.76 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.45 7.81 93 I 8.43 4.16 1.97 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.62 1.08 0.00 0.00 94 L 8.60 4.74 0.00 1.88 1.80 1.03 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.51 4.97 0.00 2.86 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 96 K 8.75 5.46 0.00 2.05 2.00 0.00 1.53 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 1.43 1.60 7.81 97 V 9.62 4.60 2.50 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 1.29 0.00 0.00 1.22 0.00 0.00 98 V 8.81 4.44 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 0.77 0.00 0.00 0.96 0.00 0.00 99 G 9.06 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 0.00 100 A 8.30 4.36 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 0.00 101 K 8.48 4.51 0.00 1.83 1.75 0.00 1.94 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.53 7.81 102 K 8.79 3.79 0.00 1.72 1.81 0.00 1.63 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.39 7.81 103 D 8.11 4.40 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.16 3.96 0.00 2.05 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 2.38 2.33 0.00 105 L 7.74 3.97 0.00 1.98 1.75 0.84 0.97 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 0.00 106 Q 7.75 4.15 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 5.41 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 107 S 7.87 4.20 0.00 4.01 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 0.00 108 T 7.97 3.84 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 0.74 0.00 0.00 109 I 8.16 3.63 2.10 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.91 1.01 0.00 0.00 110 A 8.19 4.00 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 0.00 111 K 7.66 3.92 0.00 1.89 1.99 0.00 1.71 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.40 7.81 112 H 7.51 4.73 0.00 3.30 3.37 0.00 5.71 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 0.00 113 L 7.78 4.11 0.00 1.86 1.79 0.93 0.89 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 0.00 114 A 8.23 4.12 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