NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6078 8.3649 120.5285 54.3492 41.7152 174.5148 2 I 3.8621 7.4072 120.9814 60.5716 38.6690 174.4438 3 Q 4.5552 9.7809 124.0894 54.4846 34.0733 173.6279 4 M 4.8743 8.6223 123.1384 53.6843 33.9454 175.7718 5 T 4.2586 8.5218 121.8908 63.3959 70.0455 173.6574 6 Q 5.3760 8.7987 123.7320 53.3689 30.8793 174.8744 7 S 5.0238 8.7009 117.9440 55.4407 66.8166 171.9405 8 P 4.7222 0.0000 0.0000 62.6380 32.2794 175.7853 9 S 4.6988 8.1375 111.2860 58.7464 64.9476 173.8563 10 S 4.6721 7.4083 109.5781 57.9300 63.3443 175.5949 11 L 5.0347 8.4206 125.0396 53.0007 45.6468 175.4363 12 S 4.8246 8.3219 111.6937 58.2072 65.3112 174.4986 13 A 4.5015 8.1070 123.1546 51.5282 21.6850 175.0174 14 S 4.7133 8.1214 109.9178 56.6009 66.0045 173.5357 15 V 3.4376 8.1716 122.3035 64.1239 31.4314 175.9622 16 G 3.9127 9.7945 116.4835 45.8400 0.0000 172.1925 17 D 4.9902 7.6758 119.1763 51.6803 43.6260 175.9833 18 R 4.0898 8.5606 122.7477 56.9455 30.8311 176.0318 19 V 4.4833 9.1068 119.0338 59.8727 35.5202 174.6953 20 T 4.9410 8.4510 120.6323 61.7641 72.0951 173.3529 21 I 4.7798 8.2423 125.0600 59.6557 41.2472 174.6030 22 T 5.3614 9.2510 115.4526 59.6556 72.6974 172.2653 23 C 5.2103 8.7903 118.0296 55.9976 44.9670 172.8090 24 R 5.2660 9.1011 124.1683 53.7231 31.7801 175.0462 25 A 4.5753 8.9358 129.4553 50.9457 19.2209 177.7133 26 S 4.0731 8.2634 117.8486 61.7540 63.5748 175.5658 27 Q 4.4832 7.6459 117.9073 53.2094 31.8876 175.0148 28 S 4.2740 8.6727 116.9458 58.7986 62.8389 173.7741 29 I 3.9887 8.7699 121.0275 60.0180 38.1449 177.1505 30 S 4.0802 8.1990 116.4735 59.7434 61.8404 173.3171 31 S 5.0846 8.3727 113.5698 59.4514 65.7615 175.2001 32 Y 4.5873 9.2373 121.7516 58.4234 36.7249 174.7427 33 L 4.8152 7.4782 121.6486 53.2466 46.0170 175.5116 34 N 5.5027 9.2494 122.5418 51.2801 42.4966 173.5198 35 W 6.0720 8.5518 120.3090 54.7169 32.1174 174.2687 36 Y 5.1862 9.1913 122.2299 56.3317 40.6802 174.5102 37 Q 4.9511 8.3285 122.0165 53.5905 32.8703 174.4191 38 Q 4.6940 8.0757 124.1158 55.0610 31.1820 173.2769 39 K 3.9490 8.2912 126.6011 55.7442 34.3021 174.2896 40 P 4.5744 0.0000 0.0000 63.7004 31.9769 176.7213 41 G 3.8928 9.1619 110.4442 45.1154 0.0000 172.1350 42 K 4.5394 7.6760 117.5328 54.3176 35.4676 174.7541 43 A 4.6374 7.9856 120.8631 49.5567 21.4068 174.9612 44 P 4.1241 0.0000 0.0000 63.3841 31.6550 176.5416 45 K 4.5413 9.2628 126.0241 54.0642 33.9730 175.8149 46 L 3.6905 8.6852 127.7026 55.6040 42.3653 176.3996 47 L 4.4913 8.5759 124.7794 56.2469 44.4146 176.9459 48 I 4.5247 7.3776 119.2018 60.4623 41.6217 174.1801 49 Y 4.8436 7.8146 124.9941 55.6769 40.9901 177.0325 50 A 3.7588 9.3160 115.2550 53.9933 15.5387 177.4916 51 A 4.3591 9.4770 132.8535 52.8904 19.4376 179.6578 52 S 5.0010 9.2093 106.4297 59.5753 68.1290 175.1508 53 S 4.2041 8.2696 117.1224 58.0248 63.1536 174.3155 54 L 4.8272 8.4926 126.4155 53.9532 43.6776 175.7027 55 Q 4.5090 8.1462 115.0980 55.4098 31.1372 173.8379 56 S 4.1917 8.4475 116.1294 60.5879 63.6080 173.6869 57 G 4.1764 8.9733 115.5447 46.1260 0.0000 173.5343 58 V 3.1048 6.8347 122.7438 59.8182 30.2179 173.9324 59 P 4.3939 0.0000 0.0000 62.4028 31.6552 177.4007 60 S 4.2246 8.5361 112.8338 60.7170 62.6451 174.6038 61 R 4.3474 7.8354 115.5271 57.3852 30.7404 176.3141 62 F 4.5272 8.6438 119.7101 57.3495 39.4987 175.4929 63 S 4.3344 8.8270 119.1522 57.0535 64.7196 172.1528 64 G 4.6481 8.8732 114.8458 44.5668 0.0000 170.9218 65 S 5.2197 8.8144 119.3999 57.0951 67.1164 173.8744 66 G 4.3313 10.1244 107.1572 46.6223 0.0000 171.9449 67 S 4.3963 7.8640 111.2681 58.6976 64.3203 174.0027 68 G 3.8828 8.7236 111.7354 45.2919 0.0000 175.1606 69 T 4.2733 7.5327 111.6643 63.5689 72.7125 173.5471 70 D 5.2077 7.6149 121.8245 52.6888 42.6208 175.8756 71 F 5.3186 8.8778 122.2259 56.3574 42.9361 175.4643 72 T 4.8804 9.0236 116.7064 62.8056 72.7431 173.0983 73 L 4.1107 8.9230 131.6186 53.3968 42.2898 174.0817 74 T 4.3760 7.9575 121.6149 62.7327 70.0283 173.5490 75 I 4.1284 8.3790 128.7153 59.6055 38.7251 176.0601 76 S 4.4969 8.4464 121.1463 58.0371 63.9003 174.9424 77 S 4.5324 7.6601 114.8693 55.7221 62.2397 171.9143 78 L 4.1150 8.1642 125.8408 55.2611 43.3815 175.4526 79 Q 4.9748 8.5236 122.6804 53.7572 33.5365 173.9752 80 P 4.5760 0.0000 0.0000 64.1500 31.6139 177.6199 81 E 4.2826 8.1478 115.6610 58.1191 30.0620 177.1274 82 D 4.8397 8.3262 118.5625 54.9740 41.5270 176.4174 83 F 4.4959 8.4696 122.4169 58.1295 40.1521 174.3745 84 A 3.3679 7.3149 125.1351 52.4489 24.7379 174.2139 85 T 4.8511 7.0739 112.6558 62.6375 70.7095 174.0719 86 Y 5.3200 9.0647 123.4707 56.6916 41.3117 174.4447 87 Y 5.5921 9.7390 119.8913 56.6673 43.0963 171.4842 88 C 5.2961 9.2235 115.2624 53.7863 43.1599 172.4829 89 Q 4.7770 9.0591 122.3733 53.1386 32.1254 173.7041 90 Q 4.6475 8.4246 124.4766 55.4322 29.5076 175.7229 91 S 4.2209 8.7658 116.2371 58.9998 62.6758 174.0529 92 Y 3.3639 8.2041 119.5986 60.7392 38.6019 175.7147 93 S 4.7859 9.1837 112.4905 56.3023 65.8825 172.9502 94 T 4.7063 8.0627 112.9757 58.4287 70.8931 172.0670 95 P 4.1704 0.0000 0.0000 63.7719 31.4640 175.3462 96 N 4.9219 8.4061 118.4915 52.8754 40.3378 174.8018 97 T 4.5103 7.8644 111.0051 60.0400 71.7468 173.5172 98 F 4.4147 8.9372 125.2327 56.8920 40.1892 175.5079 99 G 4.0871 10.9241 108.5110 46.0138 0.0000 173.7090 100 Q 4.7007 8.8483 116.2068 55.5027 28.8192 173.7553 101 G 2.8386 9.9888 110.9543 46.3028 0.0000 173.4561 102 T 4.6690 7.8707 122.4770 60.9617 70.4941 174.3266 103 K 4.9294 8.5203 126.4063 54.7232 33.5550 175.9380 104 V 4.2026 9.1626 126.7860 62.5991 33.3102 174.2125 105 E 5.0516 8.4683 125.9641 54.5691 31.9660 176.0048 106 I 4.0819 8.0558 125.8505 61.4824 37.6125 175.4095 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 D 8.36 4.61 0.00 2.66 2.71 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 2 I 7.41 3.86 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.53 0.84 0.00 0.00 3 Q 9.78 4.56 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 4 M 8.62 4.87 0.00 1.87 2.02 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 2.58 2.45 0.00 5 T 8.52 4.26 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 1.25 0.00 0.00 6 Q 8.80 5.38 0.00 2.46 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.16 0.00 7 S 8.70 5.02 0.00 3.91 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 8 P 0.00 4.72 0.00 2.21 2.13 0.00 3.75 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 1.98 1.94 0.00 9 S 8.14 4.70 0.00 3.92 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 10 S 7.41 4.67 0.00 3.86 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 11 L 8.42 5.03 0.00 1.65 1.62 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.32 4.82 0.00 3.84 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 13 A 8.11 4.50 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 14 S 8.12 4.71 0.00 4.02 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 15 V 8.17 3.44 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 0.80 0.00 0.00 0.94 0.00 0.00 16 G 9.79 3.91 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 0.00 0.00 0.00 17 D 7.68 4.99 0.00 2.80 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.56 4.09 0.00 1.77 1.79 0.00 3.13 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 19 V 9.11 4.48 1.92 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 0.65 0.00 0.00 0.77 0.00 0.00 20 T 8.45 4.94 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 1.12 0.00 0.00 21 I 8.24 4.78 1.71 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.87 1.03 0.00 0.00 22 T 9.25 5.36 4.35 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 1.30 0.00 0.00 23 C 8.79 5.21 0.00 3.05 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 24 R 9.10 5.27 0.00 1.86 1.83 0.00 3.18 0.00 0.00 3.11 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.81 0.00 25 A 8.94 4.58 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.26 4.07 0.00 3.88 4.20 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 27 Q 7.65 4.48 0.00 1.79 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 28 S 8.67 4.27 0.00 3.80 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 29 I 8.77 3.99 2.07 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.16 0.58 0.00 0.00 30 S 8.20 4.08 0.00 4.41 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 31 S 8.37 5.08 0.00 4.04 4.08 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 0.00 0.00 0.00 32 Y 9.24 4.59 0.00 3.56 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 33 L 7.48 4.82 0.00 0.74 0.49 0.34 -0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.25 5.50 0.00 2.84 2.64 0.00 0.00 6.69 6.50 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 35 W 8.55 6.07 0.00 3.32 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 36 Y 9.19 5.19 0.00 3.04 2.88 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 37 Q 8.33 4.95 0.00 2.27 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 1.92 1.16 0.00 38 Q 8.08 4.69 0.00 2.15 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.11 0.00 39 K 8.29 3.95 0.00 1.76 1.73 0.00 1.52 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.38 7.81 40 P 0.00 4.57 0.00 2.22 2.09 0.00 3.74 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 41 G 9.16 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 42 K 7.68 4.54 0.00 1.85 1.68 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.45 7.81 43 A 7.99 4.64 1.16 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 0.00 0.00 0.00 44 P 0.00 4.12 0.00 1.71 1.74 0.00 3.47 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 45 K 9.26 4.54 0.00 1.73 1.72 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.43 7.81 46 L 8.69 3.69 0.00 1.56 1.44 -0.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.58 4.49 0.00 1.94 1.78 1.54 0.25 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 48 I 7.38 4.52 2.18 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.03 1.12 0.00 0.00 49 Y 7.81 4.84 0.00 2.85 2.94 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 50 A 9.32 3.76 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 51 A 9.48 4.36 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 0.00 0.00 52 S 9.21 5.00 0.00 3.96 4.10 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 53 S 8.27 4.20 0.00 4.16 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 0.00 54 L 8.49 4.83 0.00 1.62 1.64 1.08 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.15 4.51 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.96 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 56 S 8.45 4.19 0.00 3.84 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 57 G 8.97 4.18 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 0.00 0.00 0.00 58 V 6.83 3.10 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 0.68 0.00 0.00 0.62 0.00 0.00 59 P 0.00 4.39 0.00 2.26 2.08 0.00 2.88 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 2.03 2.00 0.00 60 S 8.54 4.22 0.00 3.85 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 61 R 7.84 4.35 0.00 2.05 2.18 0.00 3.12 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.04 0.00 62 F 8.64 4.53 0.00 2.82 3.03 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 63 S 8.83 4.33 0.00 3.87 3.62 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 64 G 8.87 4.65 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 0.00 0.00 0.00 65 S 8.81 5.22 0.00 3.93 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 66 G 10.12 4.33 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 0.00 67 S 7.86 4.40 0.00 4.28 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 68 G 8.72 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 0.00 0.00 0.00 69 T 7.53 4.27 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 1.30 0.00 0.00 70 D 7.61 5.21 0.00 2.47 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.88 5.32 0.00 3.34 3.39 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 72 T 9.02 4.88 4.29 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 1.17 0.00 0.00 73 L 8.92 4.11 0.00 0.27 0.14 0.37 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.96 4.38 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 1.08 0.00 0.00 75 I 8.38 4.13 1.27 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.14 0.00 0.00 76 S 8.45 4.50 0.00 3.79 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 77 S 7.66 4.53 0.00 3.83 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 78 L 8.16 4.11 0.00 1.85 1.51 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.52 4.97 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 80 P 0.00 4.58 0.00 2.08 2.12 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 81 E 8.15 4.28 0.00 2.14 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 0.00 2.36 2.33 0.00 82 D 8.33 4.84 0.00 3.17 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 83 F 8.47 4.50 0.00 3.14 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 84 A 7.31 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.07 4.85 4.39 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 1.03 0.00 0.00 86 Y 9.06 5.32 0.00 2.90 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 87 Y 9.74 5.59 0.00 3.07 3.02 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 88 C 9.22 5.30 0.00 2.28 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 0.00 0.00 0.00 89 Q 9.06 4.78 0.00 0.93 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.04 0.00 0.00 0.00 0.00 0.00 1.79 1.16 0.00 90 Q 8.42 4.65 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.08 0.00 91 S 8.77 4.22 0.00 3.95 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 92 Y 8.20 3.36 0.00 2.91 3.23 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 0.00 93 S 9.18 4.79 0.00 4.06 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 94 T 8.06 4.71 4.20 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 1.20 0.00 0.00 95 P 0.00 4.17 0.00 2.17 2.11 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 96 N 8.41 4.92 0.00 2.45 2.89 0.00 0.00 6.76 7.54 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 97 T 7.86 4.51 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 98 F 8.94 4.41 0.00 2.94 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 99 G 10.92 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 0.00 100 Q 8.85 4.70 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.60 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 101 G 9.99 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 0.00 0.00 0.00 102 T 7.87 4.67 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 1.24 0.00 0.00 103 K 8.52 4.93 0.00 1.74 1.78 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.40 7.81 104 V 9.16 4.20 2.40 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 1.00 0.00 0.00 1.01 0.00 0.00 105 E 8.47 5.05 0.00 2.34 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 2.21 2.26 0.00 106 I 8.06 4.08 1.80 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.19 0.91 0.00 0.00