NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3495 8.2931 120.3521 55.4951 32.7872 176.1925 2 G 3.7199 7.7074 108.6928 42.8691 0.0000 169.3372 3 H 4.8863 7.8519 120.1158 54.6134 30.0334 173.3945 4 H 4.5123 7.4418 111.4296 55.7101 30.2020 173.0444 5 H 4.4512 8.6963 121.1335 55.9177 30.7702 173.9727 6 H 4.7481 7.5645 120.0326 54.6367 30.9478 174.2290 7 H 4.3240 8.0110 116.7734 55.9918 31.8638 173.0445 8 H 4.5191 8.7266 125.4877 55.4065 28.5773 174.9603 9 S 4.6078 7.9897 119.1066 57.7045 66.6240 175.1843 10 H 4.5573 8.5046 121.6871 55.5465 27.7165 175.3343 11 M 4.7123 7.9326 125.5211 53.3079 29.9319 174.0773 12 T 5.3566 7.3632 114.9473 61.7447 71.2652 171.6578 13 G 3.8882 8.6518 109.7662 45.2124 0.0000 173.8318 14 N 4.9648 7.9863 120.2087 52.2183 36.9808 173.6343 15 V 4.7641 7.4322 119.6486 60.3607 33.8647 176.7673 16 C 4.9216 8.9821 121.2576 57.7580 32.3948 173.7458 17 I 4.0707 8.4549 122.9309 61.4202 35.9649 175.7035 18 E 4.1153 8.7812 128.2707 58.1959 29.9285 176.4034 19 E 4.7798 7.9069 117.3744 55.3442 33.0793 173.2375 20 I 4.6871 8.2420 126.4528 59.3001 39.0000 175.0703 21 D 3.9570 8.1809 126.4367 54.3226 41.2519 177.9671 22 V 3.5772 8.2402 124.8466 64.2337 32.0912 176.7459 23 D 4.2376 7.8830 119.7177 54.9284 41.5052 176.9332 24 G 3.0130 7.6265 107.0815 45.0962 0.0000 175.5400 25 K 3.8300 8.0334 121.1454 57.6708 33.5715 177.0272 26 F 5.5454 6.7229 112.5611 55.2807 42.0715 173.1669 27 I 4.8862 8.8742 120.2314 59.6428 40.0360 174.6773 28 R 4.9699 8.7397 127.9782 54.8887 31.3160 175.2919 29 L 4.8460 8.8532 127.4018 53.9853 44.2128 176.4458 30 K 4.5571 8.9028 122.5019 55.0989 35.4518 174.9305 31 N 5.0290 9.0632 128.5271 52.6766 39.5859 175.2005 32 T 4.8697 8.1721 125.6264 61.6535 67.3634 174.4587 33 S 4.5378 8.0088 114.9234 57.3593 64.6878 173.3691 34 E 4.3168 8.4632 118.0912 57.3007 29.7121 176.0956 35 Q 4.5928 7.3325 118.1948 54.1905 32.8162 173.7890 36 D 4.5998 8.7147 123.2560 55.0183 41.4851 175.7810 37 Q 4.5213 9.1105 124.7253 53.8919 30.6434 173.5124 38 P 4.5310 0.0000 0.0000 62.6177 32.2123 176.3642 39 M 3.0027 7.7581 122.7840 58.9894 31.7951 176.0986 40 G 4.0851 9.1455 107.4804 44.4030 0.0000 173.3569 41 G 4.4215 7.3679 99.6893 44.7473 0.0000 172.0482 42 W 4.9444 8.0019 121.0258 56.8655 31.6102 176.5355 43 E 5.0147 9.1357 121.1679 54.9391 32.0591 174.0668 44 M 4.7960 9.3040 128.9079 54.4866 33.8871 175.0884 45 I 4.3992 8.6901 129.0551 60.4377 38.7709 175.5097 46 R 4.6197 9.2896 130.4073 55.0534 30.7513 175.8872 47 K 4.6395 8.8885 127.1109 56.0880 34.1103 176.4886 48 I 4.1372 7.7710 121.7818 60.7183 45.1613 174.6948 49 G 3.7731 7.7539 103.6824 46.0150 0.0000 170.5033 50 D 4.5649 8.8058 127.5442 54.1182 40.1161 174.5130 51 T 4.7490 6.8854 111.6318 60.7905 70.5201 172.6790 52 S 4.7614 7.9426 113.6620 57.5140 65.3158 174.2719 53 V 4.7991 8.3353 120.5189 60.1819 34.7707 174.4152 54 S 5.4463 8.9346 116.4534 56.9829 66.2020 172.4354 55 Y 4.5460 8.4855 121.2150 55.6999 41.6110 173.8102 56 K 4.7574 7.8288 127.3549 55.4640 34.3414 175.4550 57 Y 4.4079 8.7576 124.4554 57.1946 40.5306 173.9173 58 T 4.7754 8.3726 113.1813 60.8890 71.3226 174.4397 59 S 4.5952 8.7000 122.6300 57.4942 62.1239 174.5932 60 R 4.7841 8.1722 115.2815 55.3380 31.1691 174.8809 61 Y 4.8319 7.3587 114.7261 56.4379 40.9316 173.0214 62 V 4.3453 8.3513 121.2569 61.0113 34.0121 175.0743 63 L 4.3125 8.7976 128.6506 54.2033 42.2206 176.9800 64 K 4.6507 8.6060 123.6144 55.3756 33.9870 176.6371 65 A 4.0975 8.3765 124.7637 54.7936 18.0724 177.9053 66 G 3.8856 9.1105 111.8578 45.4837 0.0000 172.1497 67 Q 4.4024 8.1289 122.6182 55.4113 29.9772 175.0419 68 T 5.0717 8.5127 117.0918 60.6743 71.0737 174.5041 69 V 4.4538 8.7943 122.6442 60.4892 34.7613 174.0980 70 T 4.8298 9.2006 122.4200 61.9614 70.8713 173.8761 71 I 4.8070 8.9709 128.4418 59.7721 38.3539 174.5625 72 W 4.8310 9.3958 128.6828 55.9084 29.9928 176.6608 73 A 4.3856 9.4923 128.6004 52.4954 15.8235 175.5088 74 A 3.8910 8.8254 122.1233 53.3903 17.9531 178.8100 75 N 4.6321 7.8165 120.2380 52.6815 37.2975 174.4363 76 A 4.4573 8.2475 123.0603 51.7167 21.8088 176.5622 77 G 4.0161 8.2514 102.5218 45.5403 0.0000 174.2084 78 V 3.5394 6.7137 117.1859 62.1424 32.1183 175.4855 79 T 3.6414 8.2361 119.8815 63.7167 68.5641 173.8416 80 A 3.8867 8.4893 128.9932 53.3477 18.5682 176.3777 81 S 3.6730 8.5956 120.2587 58.4226 59.1256 169.1923 82 P 4.0689 0.0000 0.0000 62.9142 32.6254 176.4244 83 P 3.8988 0.0000 0.0000 62.9307 27.6744 175.3176 84 T 4.7250 6.6311 127.3925 63.0132 65.9075 170.5532 85 D 4.8782 7.1551 119.1180 53.2479 44.7870 174.1847 86 L 4.8576 8.9601 117.9437 54.1352 46.5754 175.4891 87 I 4.8366 8.2850 122.9458 59.3491 39.1454 176.0692 88 W 3.6220 9.3208 135.0000 57.0078 29.6849 175.6766 89 K 4.6886 8.4691 123.8928 56.4841 31.4377 177.4784 90 N 5.1115 8.2952 113.4636 52.6677 40.3960 174.3829 91 Q 4.1065 7.4058 117.7044 55.0584 31.6818 173.5252 92 N 4.8381 8.2717 122.4356 50.7832 40.0995 174.4811 93 S 3.8818 8.5033 113.4395 59.0888 62.4105 173.9121 94 W 4.2625 8.3348 124.2902 56.1976 29.1111 172.5288 95 G 3.9652 6.8619 114.8049 44.8584 0.0000 173.0653 96 T 4.4131 8.0388 121.0986 61.7622 67.4705 175.9687 97 G 3.8243 7.9335 111.7619 47.8592 0.0000 174.7232 98 E 4.2098 7.9906 119.3248 54.7422 30.1503 174.9937 99 D 4.6158 8.9188 123.8232 53.7434 40.5792 176.5503 100 V 3.9103 7.9718 124.2167 61.3087 33.1379 175.2276 101 K 4.7652 8.9494 124.9681 54.7429 35.0765 174.5994 102 V 4.6195 8.8555 128.6853 61.5603 33.4586 174.3632 103 I 4.6162 8.8998 129.6414 59.7632 39.2988 174.8757 104 L 4.8873 8.9323 128.9082 53.6716 42.8018 175.8120 105 K 4.8208 8.3841 124.0269 54.1088 35.3468 176.3752 106 N 3.1400 8.4873 121.8251 52.2118 39.3921 176.2616 107 S 4.5518 7.0823 113.5381 60.9393 62.9570 175.8611 108 Q 4.3962 7.9301 117.8092 55.4495 28.7500 176.3621 109 G 4.0230 8.1512 110.1682 45.3752 0.0000 174.9786 110 E 3.9302 7.4302 116.9007 56.4365 29.9286 175.3633 111 E 4.7892 8.3639 120.7282 54.6817 31.7034 175.3696 112 V 3.9243 8.3187 125.8034 64.2312 32.4360 175.2434 113 A 4.7786 7.4726 118.6577 51.4577 22.7848 174.2492 114 Q 4.9961 8.3449 116.1182 55.2977 31.4327 174.1033 115 R 4.8425 9.0691 122.2880 54.9469 34.3159 173.5408 116 S 5.1566 8.4005 117.9455 56.5662 67.0523 172.5719 117 T 4.3148 7.9928 109.9540 61.2371 70.9568 173.1563 118 V 4.5255 7.8683 120.4771 60.9911 33.7445 176.2997 119 F 4.3952 9.0832 126.3001 57.7832 37.1075 174.1043 120 K 4.6683 7.9239 124.7104 54.1777 35.3924 175.9046 121 T 4.2178 8.3191 114.0524 61.7631 69.7054 174.3153 122 T 4.1419 8.0777 114.9901 62.2704 67.7227 173.1566 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 4.35 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.64 0.00 2 G 7.71 3.72 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 0.00 0.00 0.00 3 H 7.85 4.89 0.00 3.26 3.40 0.00 5.57 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 7.44 4.51 0.00 3.18 3.21 0.00 5.54 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 5 H 8.70 4.45 0.00 3.10 3.19 0.00 5.70 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 6 H 7.56 4.75 0.00 2.98 3.06 0.00 5.98 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.01 4.32 0.00 3.05 3.14 0.00 5.74 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 8 H 8.73 4.52 0.00 3.13 3.18 0.00 5.78 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.99 4.61 0.00 3.80 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 10 H 8.50 4.56 0.00 3.16 3.30 0.00 5.70 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 11 M 7.93 4.71 0.00 2.23 2.08 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 2.72 2.35 0.00 12 T 7.36 5.36 4.38 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 1.33 0.00 0.00 13 G 8.65 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 0.00 0.00 0.00 14 N 7.99 4.96 0.00 2.83 2.72 0.00 0.00 6.55 7.73 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 15 V 7.43 4.76 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 0.43 0.00 0.00 0.76 0.00 0.00 16 C 8.98 4.92 0.00 2.81 2.82 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 17 I 8.45 4.07 1.90 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 1.28 0.51 0.95 0.00 0.00 18 E 8.78 4.12 0.00 2.00 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 0.00 2.35 2.28 0.00 19 E 7.91 4.78 0.00 2.06 1.75 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 2.24 2.29 0.00 20 I 8.24 4.69 1.89 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 1.28 0.75 1.09 0.00 0.00 21 D 8.18 3.96 0.00 1.58 1.69 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 22 V 8.24 3.58 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 0.62 0.00 0.00 0.88 0.00 0.00 23 D 7.88 4.24 0.00 2.65 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 24 G 7.63 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 0.00 0.00 0.00 25 K 8.03 3.83 0.00 1.50 1.98 0.00 1.77 0.00 0.00 1.97 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.29 7.81 26 F 6.72 5.55 0.00 2.55 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 0.00 0.00 0.00 27 I 8.87 4.89 2.03 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.98 0.99 0.00 0.00 28 R 8.74 4.97 0.00 2.07 2.12 0.00 3.23 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 29 L 8.85 4.85 0.00 1.67 1.51 1.06 0.82 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 30 K 8.90 4.56 0.00 1.77 1.74 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.38 7.81 31 N 9.06 5.03 0.00 2.81 2.78 0.00 0.00 6.46 6.54 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 32 T 8.17 4.87 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 33 S 8.01 4.54 0.00 4.08 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 34 E 8.46 4.32 0.00 1.97 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 2.27 2.28 0.00 35 Q 7.33 4.59 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 36 D 8.71 4.60 0.00 2.57 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 37 Q 9.11 4.52 0.00 1.82 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.01 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 38 P 0.00 4.53 0.00 2.08 2.16 0.00 3.84 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 2.31 1.96 0.00 39 M 7.76 3.00 0.00 1.37 1.41 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.25 0.00 40 G 9.15 4.09 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 0.00 41 G 7.37 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.00 4.94 0.00 3.00 3.27 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 43 E 9.14 5.01 0.00 2.02 1.77 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 2.20 2.19 0.00 44 M 9.30 4.80 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 45 I 8.69 4.40 1.90 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 1.13 0.32 0.94 0.00 0.00 46 R 9.29 4.62 0.00 2.03 2.08 0.00 2.21 0.00 0.00 2.61 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.22 0.00 47 K 8.89 4.64 0.00 1.75 1.69 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.37 7.81 48 I 7.77 4.14 1.68 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.71 0.85 0.00 0.00 49 G 7.75 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 0.00 0.00 0.00 50 D 8.81 4.56 0.00 2.81 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 51 T 6.89 4.75 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 52 S 7.94 4.76 0.00 4.09 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 53 V 8.34 4.80 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 0.95 0.00 0.00 1.19 0.00 0.00 54 S 8.93 5.45 0.00 3.90 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 55 Y 8.49 4.55 0.00 1.43 1.67 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 56 K 7.83 4.76 0.00 1.66 1.41 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.57 7.81 57 Y 8.76 4.41 0.00 3.08 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 58 T 8.37 4.78 4.28 0.00 0.00 0.00 0.00 0.00 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 59 S 8.70 4.60 0.00 3.83 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 60 R 8.17 4.78 0.00 1.95 2.04 0.00 3.18 0.00 0.00 3.37 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 61 Y 7.36 4.83 0.00 3.01 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 62 V 8.35 4.35 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 0.89 0.00 0.00 0.89 0.00 0.00 63 L 8.80 4.31 0.00 1.60 1.55 0.63 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.61 4.65 0.00 1.72 1.73 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.74 1.46 7.81 65 A 8.38 4.10 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 66 G 9.11 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 0.00 0.00 0.00 67 Q 8.13 4.40 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 68 T 8.51 5.07 4.25 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 1.22 0.00 0.00 69 V 8.79 4.45 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 0.94 0.00 0.00 70 T 9.20 4.83 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 0.30 0.00 0.00 71 I 8.97 4.81 2.03 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 1.39 1.41 0.90 0.00 0.00 72 W 9.40 4.83 0.00 3.31 3.24 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 73 A 9.49 4.39 1.60 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 0.00 0.00 74 A 8.83 3.89 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 75 N 7.82 4.63 0.00 2.74 2.82 0.00 0.00 6.55 7.33 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 76 A 8.25 4.46 1.04 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 0.00 0.00 77 G 8.25 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 78 V 6.71 3.54 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 0.51 0.00 0.00 0.11 0.00 0.00 79 T 8.24 3.64 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 1.17 0.00 0.00 80 A 8.49 3.89 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 81 S 8.60 3.67 0.00 4.07 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 82 P 0.00 4.07 0.00 2.22 1.99 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 83 P 0.00 3.90 0.00 2.09 2.34 0.00 3.79 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 2.09 0.00 84 T 6.63 4.73 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 1.18 0.00 0.00 85 D 7.16 4.88 0.00 2.65 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 86 L 8.96 4.86 0.00 1.61 1.56 1.17 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.29 4.84 1.92 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 0.55 1.07 0.00 0.00 88 W 9.32 3.62 0.00 3.12 2.84 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 89 K 8.47 4.69 0.00 1.93 1.90 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.77 7.81 90 N 8.30 5.11 0.00 3.26 3.05 0.00 0.00 6.74 8.92 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 91 Q 7.41 4.11 0.00 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.89 0.00 0.00 0.00 0.00 0.00 1.86 1.60 0.00 92 N 8.27 4.84 0.00 2.68 2.72 0.00 0.00 7.16 7.55 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 93 S 8.50 3.88 0.00 3.73 3.72 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 94 W 8.33 4.26 0.00 3.34 3.18 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 95 G 6.86 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 0.00 0.00 0.00 96 T 8.04 4.41 4.49 0.00 0.00 0.00 0.00 0.00 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 97 G 7.93 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 98 E 7.99 4.21 0.00 2.01 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 0.00 2.31 2.29 0.00 99 D 8.92 4.62 0.00 2.32 2.27 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 0.00 100 V 7.97 3.91 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 0.89 0.00 0.00 0.54 0.00 0.00 101 K 8.95 4.77 0.00 1.75 1.64 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.33 7.81 102 V 8.86 4.62 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 1.03 0.00 0.00 0.89 0.00 0.00 103 I 8.90 4.62 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 1.36 0.78 0.93 0.00 0.00 104 L 8.93 4.89 0.00 1.87 1.97 1.02 1.02 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 0.00 105 K 8.38 4.82 0.00 1.72 1.75 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.36 7.81 106 N 8.49 3.14 0.00 2.20 2.09 0.00 0.00 6.23 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 0.00 107 S 7.08 4.55 0.00 3.85 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 0.00 108 Q 7.93 4.40 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 5.45 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 109 G 8.15 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 0.00 110 E 7.43 3.93 0.00 2.00 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 2.13 2.25 0.00 111 E 8.36 4.79 0.00 1.87 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 0.00 2.17 2.37 0.00 112 V 8.32 3.92 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 0.93 0.00 0.00 0.89 0.00 0.00 113 A 7.47 4.78 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 0.00 114 Q 8.34 5.00 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 115 R 9.07 4.84 0.00 1.89 1.75 0.00 3.05 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 116 S 8.40 5.16 0.00 3.91 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 0.00 117 T 7.99 4.31 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 1.19 0.00 0.00 118 V 7.87 4.53 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 0.91 0.00 0.00 0.94 0.00 0.00 119 F 9.08 4.40 0.00 3.03 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 0.00 120 K 7.92 4.67 0.00 1.68 1.62 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.43 7.81 121 T 8.32 4.22 4.25 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 1.23 0.00 0.00 122 T 8.08 4.14 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 1.20 0.00 0.00