NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5521 8.3644 120.1927 53.3186 43.1638 175.2141 2 V 3.5351 7.3299 118.6766 63.3023 32.2296 173.7238 3 Q 4.4465 9.2530 128.2735 55.3586 33.1867 172.3912 4 L 4.9624 8.7444 126.9367 54.1870 43.4234 176.7037 5 Q 4.6725 9.3100 124.7496 53.9519 30.1406 173.7856 6 E 4.7444 8.6189 122.7334 56.1452 31.8411 175.9097 7 S 4.7959 8.2159 114.8280 57.6615 66.8990 174.6322 8 G 4.2850 7.8498 106.6180 45.4954 0.0000 170.3227 9 P 4.3404 0.0000 0.0000 62.7955 29.6598 176.4131 10 G 3.7229 9.4470 101.6003 43.9843 0.0000 173.7744 11 L 5.4942 7.3875 127.5006 54.5578 44.5000 172.7565 12 V 4.3949 7.8491 117.5593 60.6264 35.8869 172.8461 13 K 4.4664 8.1873 120.3531 54.2584 33.4057 175.0045 14 P 5.1915 0.0000 0.0000 63.6713 31.7743 177.2563 15 S 4.1774 8.6900 114.9837 59.0278 61.7128 170.5748 16 Q 4.3976 7.5369 119.3929 55.1424 29.6131 175.8358 17 S 4.5480 8.5460 118.6008 58.4468 64.7596 172.5905 18 L 4.6304 8.7654 125.8198 53.5598 43.8279 175.0527 19 S 4.5832 8.5092 120.6938 56.7040 64.0861 172.6844 20 L 4.5968 8.3059 127.6064 53.5025 44.2851 176.1666 21 T 4.9725 8.5390 117.5346 62.1506 72.2039 172.0531 22 C 5.4237 8.2004 125.9721 54.8611 43.8978 173.5183 23 T 4.3749 8.7386 116.8170 60.8183 70.9635 173.7121 24 V 5.0117 7.9228 119.9076 61.6258 34.5619 174.7061 25 T 4.5862 8.7273 122.9043 62.7176 72.6485 174.9886 26 G 4.0932 10.5290 112.0269 45.8677 0.0000 172.7100 27 Y 4.8158 7.2359 118.3639 57.2603 41.0796 173.0079 28 S 4.6300 6.6565 111.3127 57.0977 65.6523 174.4928 29 I 3.4426 7.9419 125.8898 61.4058 36.7370 177.3684 30 T 5.2292 7.2486 109.4976 60.7737 71.3813 175.2010 31 N 4.1548 8.4174 118.5105 55.1641 37.9612 174.8690 32 N 4.2894 5.7700 116.3101 52.5252 43.1317 172.6341 33 Y 3.6130 7.7546 116.5197 57.2478 36.5735 167.5570 34 A 4.9428 7.9484 120.8401 50.1990 23.2484 175.3075 35 W 4.5356 9.3617 118.2967 55.1222 32.3106 175.4605 36 N 5.9215 8.6066 122.1551 51.1208 41.2718 174.5472 37 W 6.0520 8.4527 118.8506 55.1733 30.4423 172.3860 38 I 4.8836 8.9144 122.3604 59.6337 38.7513 175.4977 39 R 4.6119 8.7762 124.4810 55.1783 32.1118 175.4518 40 Q 5.5547 8.7537 121.6164 53.2491 31.5288 175.2265 41 F 4.6578 8.4472 125.4400 56.6569 39.7303 174.8394 42 P 4.3572 0.0000 0.0000 65.5201 31.4809 177.6468 43 G 3.9333 8.2803 106.5998 45.3232 0.0000 173.9192 44 N 4.1736 8.2419 113.8551 53.4275 37.2922 174.3357 45 K 4.4620 7.8167 119.7638 56.2369 34.0251 175.3630 46 L 5.3813 8.4815 122.0936 52.8253 44.8794 175.7979 47 E 4.7717 9.3520 124.7759 54.0046 32.5618 174.5470 48 W 4.7829 9.1424 135.0000 57.6213 31.7808 175.1357 49 M 3.8878 8.4151 126.1336 56.3399 32.9006 176.3666 50 G 3.6363 6.6462 102.1599 47.0666 0.0000 170.7588 51 Y 6.2128 9.0604 115.9506 57.1386 41.7279 173.8898 52 I 4.8134 8.4644 114.5178 59.3613 41.4425 173.0616 53 N 5.5809 8.0568 117.9935 51.2446 40.3976 173.6852 54 Y 5.1593 9.3050 115.8303 59.6593 37.9556 179.2336 55 S 3.6145 6.8881 113.5591 60.1841 63.7191 174.1703 56 G 3.7769 8.5517 116.0561 45.7096 0.0000 173.3926 57 T 3.8607 6.6339 116.1955 62.2756 67.9084 172.0388 58 T 4.7354 7.7737 114.1163 60.5576 72.2892 172.6335 59 S 4.4675 8.7946 115.6963 57.2923 66.5274 172.3673 60 Y 5.2754 8.1898 122.3064 55.6324 42.4453 173.8874 61 N 4.7987 9.1978 119.8730 52.9192 39.1095 173.9456 62 P 4.4052 0.0000 0.0000 65.7308 30.9823 177.8524 63 S 4.4801 8.3575 113.2422 61.0252 63.9074 176.2363 64 L 4.1330 7.9871 122.3402 56.5545 41.3736 179.3476 65 K 4.2605 8.0351 119.5201 59.6348 31.8826 178.7291 66 S 4.3761 8.2180 112.1019 60.6714 62.7724 174.6896 67 R 4.8048 8.8856 119.2286 55.5255 31.3379 174.4149 68 I 4.8482 7.4406 112.7486 60.6143 41.3093 173.5692 69 S 4.2126 7.5797 114.0266 58.4841 66.1384 175.8898 70 I 5.4840 8.7806 120.4695 60.6645 41.5240 174.8730 71 T 4.8646 8.9833 113.0791 62.0488 71.9753 172.6249 72 R 4.6869 8.5695 114.8399 56.1850 32.0496 174.5487 73 D 4.8107 9.1183 121.4557 52.1948 39.7953 176.7845 74 T 3.8120 7.9581 112.9296 64.3919 69.3440 176.4716 75 S 4.2568 8.0950 115.3583 60.9578 63.5070 175.6149 76 K 3.9848 9.5256 119.9517 56.2865 32.4091 175.4022 77 N 3.9650 9.3589 118.3599 52.9320 36.3526 172.0090 78 Q 4.7570 7.0070 118.8960 54.5873 34.3975 173.6874 79 F 4.7539 7.6929 114.4400 55.0361 41.9765 173.7617 80 F 5.4346 9.5458 118.2126 55.8408 42.6512 173.7920 81 L 4.8088 8.6957 125.7646 53.8546 44.0157 175.0106 82 Q 4.7855 8.7272 126.3112 54.4033 32.2894 173.1059 83 L 5.0039 8.4670 128.9479 53.2851 44.7782 174.5942 84 N 5.0319 9.2784 124.1562 51.5673 40.2127 174.9739 85 S 3.4995 8.5000 117.1091 59.0772 61.0448 170.9134 86 V 3.9591 7.9385 124.2470 63.3904 31.5053 175.4600 87 T 4.6798 8.4347 120.8043 61.0203 71.5254 175.2262 88 T 3.9127 7.9488 116.0946 67.3462 68.6503 176.5672 89 E 4.0331 8.4074 119.2684 59.8040 29.4482 178.3048 90 D 4.6398 7.5687 116.6697 56.3515 40.9798 176.5589 91 T 3.8408 8.2861 116.8140 64.6446 68.8473 173.1184 92 A 4.3348 7.6720 127.0494 52.4278 24.7798 174.5731 93 T 4.8013 8.0173 111.3055 62.2981 71.2666 173.6814 94 Y 5.0913 8.2647 120.8782 56.4410 42.0931 174.8208 95 F 5.7543 9.1336 118.4976 56.3205 44.2435 170.9260 96 C 5.7741 9.2569 116.6913 53.0453 45.1623 173.0889 97 V 4.6072 7.7900 114.6037 59.1517 36.0907 174.4956 98 R 3.3818 8.2000 125.2910 56.0623 30.8728 176.0430 99 G 3.9888 8.4574 116.1824 45.6779 0.0000 172.0565 100 Y 4.2695 8.4597 128.4469 56.3952 40.9077 173.5071 101 D 4.1975 7.4935 119.5939 54.3278 41.8368 176.0610 102 Y 3.3545 8.8363 117.5262 58.2388 35.7593 168.1174 103 F 4.0412 8.3618 124.8070 57.9780 36.7243 174.9007 104 A 4.3349 8.1835 123.0444 51.0902 19.8739 172.4843 105 M 4.6146 8.8649 119.5732 55.6631 31.7746 175.7050 106 D 4.7207 8.2161 122.3955 52.7850 40.6886 175.9644 107 Y 4.6131 7.4100 114.0109 57.8308 41.9670 173.2103 108 W 4.7366 9.3258 124.5429 54.7502 31.9895 176.0082 109 G 4.2572 8.5629 108.8557 45.6444 0.0000 173.9099 110 Q 4.4281 9.3583 120.3182 59.8457 28.4892 176.4838 111 G 4.3211 7.1438 103.7270 42.6678 0.0000 172.0998 112 T 4.5404 7.4940 114.8275 60.2656 71.0846 172.5031 113 S 4.8093 8.7965 123.9313 57.2748 62.8850 172.9173 114 V 4.4561 8.4796 128.1886 61.5189 33.7809 174.4592 115 T 4.7572 8.3875 123.5721 61.7073 71.8768 174.5760 116 V 3.9788 7.9274 122.6500 63.1510 31.8987 175.0164 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 4.55 0.00 2.68 2.77 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 2 V 7.33 3.54 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 0.00 0.00 0.34 0.00 0.00 0.63 0.00 0.00 3 Q 9.25 4.45 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 4 L 8.74 4.96 0.00 1.71 1.76 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 9.31 4.67 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 6 E 8.62 4.74 0.00 2.34 2.32 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 2.56 2.44 0.00 7 S 8.22 4.80 0.00 3.92 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 8 G 7.85 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 0.00 0.00 0.00 0.00 9 P 0.00 4.34 0.00 2.14 1.60 0.00 3.63 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 1.89 1.85 0.00 10 G 9.45 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 11 L 7.39 5.49 0.00 1.67 1.59 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.85 4.39 2.05 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 0.64 0.00 0.00 0.91 0.00 0.00 13 K 8.19 4.47 0.00 1.79 1.70 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.43 7.81 14 P 0.00 5.19 0.00 2.03 2.01 0.00 3.79 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 15 S 8.69 4.18 0.00 4.03 4.06 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 16 Q 7.54 4.40 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 17 S 8.55 4.55 0.00 3.72 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 18 L 8.77 4.63 0.00 1.55 1.31 0.58 0.27 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 19 S 8.51 4.58 0.00 3.76 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 20 L 8.31 4.60 0.00 1.01 0.85 0.57 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.54 4.97 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 1.45 0.00 0.00 22 C 8.20 5.42 0.00 3.13 1.52 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 23 T 8.74 4.37 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 24 V 7.92 5.01 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 0.98 0.00 0.00 0.94 0.00 0.00 25 T 8.73 4.59 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 26 G 10.53 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 27 Y 7.24 4.82 0.00 2.91 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 28 S 6.66 4.63 0.00 3.56 3.19 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 29 I 7.94 3.44 1.46 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 0.60 0.28 -0.44 0.00 0.00 30 T 7.25 5.23 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 1.15 0.00 0.00 31 N 8.42 4.15 0.00 2.16 2.56 0.00 0.00 6.68 7.79 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 32 N 5.77 4.29 0.00 2.16 1.59 0.00 0.00 7.39 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 33 Y 7.75 3.61 0.00 2.95 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 34 A 7.95 4.94 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.36 4.54 0.00 2.80 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 0.00 0.00 0.00 0.00 36 N 8.61 5.92 0.00 2.68 2.91 0.00 0.00 6.61 7.07 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 37 W 8.45 6.05 0.00 3.29 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 38 I 8.91 4.88 2.11 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 1.73 1.41 1.24 0.00 0.00 39 R 8.78 4.61 0.00 1.25 1.81 0.00 2.21 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.84 0.00 40 Q 8.75 5.55 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 41 F 8.45 4.66 0.00 3.18 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 42 P 0.00 4.36 0.00 2.09 2.16 0.00 3.85 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 43 G 8.28 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 0.00 0.00 0.00 44 N 8.24 4.17 0.00 2.91 2.94 0.00 0.00 6.81 6.98 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 45 K 7.82 4.46 0.00 2.00 1.97 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.65 1.54 7.81 46 L 8.48 5.38 0.00 1.64 1.69 0.93 0.87 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 47 E 9.35 4.77 0.00 2.27 1.73 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 0.00 2.36 2.45 0.00 48 W 9.14 4.78 0.00 3.29 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 49 M 8.42 3.89 0.00 1.94 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 50 G 6.65 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.06 6.21 0.00 3.18 3.41 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 52 I 8.46 4.81 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.88 1.04 0.00 0.00 53 N 8.06 5.58 0.00 3.04 2.80 0.00 0.00 6.96 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 54 Y 9.30 5.16 0.00 3.45 3.25 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 55 S 6.89 3.61 0.00 3.55 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 56 G 8.55 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 57 T 6.63 3.86 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 1.12 0.00 0.00 58 T 7.77 4.74 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 1.22 0.00 0.00 59 S 8.79 4.47 0.00 4.13 4.53 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 60 Y 8.19 5.28 0.00 2.93 2.78 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 61 N 9.20 4.80 0.00 2.78 2.66 0.00 0.00 7.36 7.58 0.00 0.00 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 P 0.00 4.41 0.00 2.35 2.33 0.00 4.06 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 63 S 8.36 4.48 0.00 4.09 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 64 L 7.99 4.13 0.00 1.73 1.70 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.04 4.26 0.00 1.90 2.01 0.00 1.81 0.00 0.00 1.86 0.00 0.00 3.33 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.80 1.84 7.81 66 S 8.22 4.38 0.00 4.03 4.04 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 67 R 8.89 4.80 0.00 1.81 2.07 0.00 2.74 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 68 I 7.44 4.85 1.68 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.23 0.84 0.00 0.00 69 S 7.58 4.21 0.00 3.95 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 70 I 8.78 5.48 2.29 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.93 1.33 0.00 0.00 71 T 8.98 4.86 4.44 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 1.33 0.00 0.00 72 R 8.57 4.69 0.00 1.93 1.87 0.00 2.88 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 73 D 9.12 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 74 T 7.96 3.81 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 1.17 0.00 0.00 75 S 8.10 4.26 0.00 3.99 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 76 K 9.53 3.98 0.00 1.90 1.90 0.00 2.00 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.46 7.81 77 N 9.36 3.97 0.00 2.86 2.78 0.00 0.00 6.83 6.64 0.00 0.00 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 Q 7.01 4.76 0.00 1.60 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 79 F 7.69 4.75 0.00 3.11 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 80 F 9.55 5.43 0.00 3.11 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 81 L 8.70 4.81 0.00 0.37 0.75 0.72 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.73 4.79 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 83 L 8.47 5.00 0.00 1.58 1.34 0.91 0.50 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 84 N 9.28 5.03 0.00 2.56 2.67 0.00 0.00 6.97 7.18 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 85 S 8.50 3.50 0.00 4.12 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 86 V 7.94 3.96 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 1.05 0.00 0.00 0.90 0.00 0.00 87 T 8.43 4.68 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 1.27 0.00 0.00 88 T 7.95 3.91 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 89 E 8.41 4.03 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 2.31 2.29 0.00 90 D 7.57 4.64 0.00 2.80 2.86 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 91 T 8.29 3.84 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 1.29 0.00 0.00 92 A 7.67 4.33 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.02 4.80 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 0.90 0.00 0.00 94 Y 8.26 5.09 0.00 2.82 2.67 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 95 F 9.13 5.75 0.00 3.60 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 96 C 9.26 5.77 0.00 3.04 1.87 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 97 V 7.79 4.61 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 -0.82 0.00 0.00 0.25 0.00 0.00 98 R 8.20 3.38 0.00 1.63 1.81 0.00 3.00 0.00 0.00 3.14 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.91 0.00 99 G 8.46 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 0.00 100 Y 8.46 4.27 0.00 2.92 2.86 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 0.00 101 D 7.49 4.20 0.00 2.91 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.84 3.35 0.00 2.97 2.92 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 0.00 103 F 8.36 4.04 0.00 3.15 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 0.00 104 A 8.18 4.33 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 0.00 105 M 8.86 4.61 0.00 1.35 2.10 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.55 0.00 106 D 8.22 4.72 0.00 2.15 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 0.00 107 Y 7.41 4.61 0.00 2.78 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 0.00 108 W 9.33 4.74 0.00 3.08 3.11 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 0.00 109 G 8.56 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 0.00 0.00 0.00 0.00 110 Q 9.36 4.43 0.00 2.31 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.17 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 111 G 7.14 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 0.00 0.00 0.00 0.00 112 T 7.49 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 1.38 0.00 0.00 113 S 8.80 4.81 0.00 3.91 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 0.00 114 V 8.48 4.46 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 1.01 0.00 0.00 1.03 0.00 0.00 115 T 8.39 4.76 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 0.00 116 V 7.93 3.98 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 0.83 0.00 0.00 0.97 0.00 0.00