NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.5769 8.0632 120.5366 55.4835 33.6107 174.3265 2 R 4.7889 8.5109 122.8105 52.1005 33.4210 170.2397 3 V 4.9465 8.2530 120.2124 60.4584 35.7581 173.3813 4 V 4.7021 9.1172 125.0339 61.6479 33.3066 174.2599 5 I 4.9129 8.9916 129.9603 59.9243 39.0319 174.8827 6 Q 5.8098 8.9625 125.6428 52.9798 32.8032 174.6724 7 R 4.3128 8.4528 123.0364 56.0413 31.5542 175.3965 8 V 5.0096 9.0091 119.4110 59.5064 34.3621 177.0182 9 K 4.1488 8.5560 123.2920 58.8971 33.2090 176.9977 10 G 4.4399 7.7616 104.4750 45.9135 0.0000 171.9455 11 A 5.1420 8.9079 120.4296 50.6550 23.1656 175.5372 12 I 4.6947 9.3947 123.4260 59.3730 40.4376 174.2271 13 L 5.0221 8.6721 129.5494 53.6162 43.9908 175.3642 14 S 5.1896 9.6243 121.8785 56.9588 67.6760 173.3231 15 V 4.7510 7.7291 114.6534 59.9468 35.5347 175.1100 16 R 3.5886 7.8839 122.8186 54.8780 30.8729 175.9040 *26 E 4.0991 8.5060 120.0645 55.8615 31.1776 172.5463 27 L 5.1911 8.3045 123.3714 52.5233 44.3368 175.2284 28 E 4.6018 8.3803 112.9146 55.8868 31.8429 175.2027 29 I 4.3182 8.7805 125.8705 62.2853 37.3949 175.8431 30 I 4.7329 8.8965 116.2131 60.5787 39.5042 174.9798 31 S 4.8507 7.9021 117.8054 57.8578 67.3955 172.6091 32 E 5.2221 8.4587 118.7467 55.8515 32.4963 174.1418 33 I 4.5543 8.4936 112.9195 59.3600 41.1311 175.7070 34 K 4.4841 8.6066 128.7320 55.8647 31.8594 176.3382 35 N 4.7316 8.0848 120.2767 53.3830 40.0506 174.1395 36 G 4.4248 6.8296 109.0290 45.6195 0.0000 172.5739 37 L 5.4039 8.8699 124.3358 51.8516 46.0815 175.0974 38 I 4.5224 8.3953 123.5198 60.0587 40.1626 173.9074 39 C 5.2977 8.3647 126.0411 57.9121 31.2858 173.3233 40 F 4.6760 9.4016 124.7653 56.9836 39.5667 174.7678 41 L 5.0840 9.5307 127.7012 53.2756 44.3263 175.2483 42 G 4.2594 9.2276 115.1784 46.1270 0.0000 171.6673 43 I 4.9584 8.5971 124.6457 59.5300 39.5610 174.8342 44 H 3.7329 9.8267 130.7479 55.7420 30.4426 176.9693 45 K 3.8738 7.4503 126.2353 57.3156 31.5681 176.9287 46 N 4.9505 7.9874 114.1067 53.2289 38.9050 174.9601 47 D 4.8299 7.6551 118.1957 54.2095 41.8342 175.9628 48 T 4.8424 8.0253 109.7682 58.9995 71.7707 174.8611 49 W 4.5956 9.3299 132.5132 61.2711 30.1553 178.0584 50 E 3.9241 8.0459 117.6753 59.6403 28.7010 179.0559 51 D 4.3863 8.5301 117.8139 57.2907 41.0838 178.4290 52 A 3.8940 7.9240 120.8273 54.9328 18.3195 179.2160 53 L 3.4536 6.9258 116.5724 58.2859 41.7600 179.5213 54 Y 3.9185 7.6416 118.6995 60.4506 38.6733 178.1349 55 I 3.6860 8.2690 121.1713 64.3487 37.2526 178.1567 56 I 3.0796 7.3131 119.9579 64.4958 36.8254 177.8101 57 R 3.7579 8.0298 119.4753 59.6913 29.7960 178.3852 58 K 3.7421 7.8522 117.7496 59.6572 31.8610 179.1799 59 C 4.2042 8.3795 116.2133 63.0493 27.7364 176.0324 60 L 4.1983 8.4032 120.4700 56.8312 40.9732 178.4346 61 N 4.8606 8.0707 114.7160 52.5208 40.3435 175.3965 62 L 3.8948 7.4568 119.7378 55.7004 42.1582 178.0791 63 R 4.5449 8.5960 122.9581 55.2748 28.7038 176.3182 64 L 4.9758 8.7192 118.5218 53.8073 42.8043 176.6091 65 W 4.6973 7.8844 119.3170 54.3072 32.2236 174.8226 66 N 4.6569 8.5512 119.9684 53.6713 38.9725 173.7551 67 N 5.1480 8.1097 120.1616 53.9804 38.4027 173.5974 68 D 4.6001 7.9413 113.0129 54.6430 38.8569 171.7175 69 N 4.6444 8.7583 126.9723 53.7711 36.3545 176.2475 70 K 4.4830 7.9577 118.6172 53.7362 32.9602 177.6836 71 T 5.4005 7.6762 107.0413 60.4728 71.7912 173.9262 72 W 3.9231 8.1374 121.5599 56.9362 26.0318 173.0218 73 D 4.8532 7.9989 115.0149 53.9651 44.3058 175.9232 74 K 5.0882 8.4578 116.8083 54.4225 36.0266 175.4883 75 N 5.5787 8.7121 119.9521 51.0619 40.0670 176.0809 76 V 3.3945 9.0465 115.0293 65.4081 31.8946 179.5800 77 K 3.2555 7.3846 117.8656 57.1771 31.8948 181.9488 78 D 4.3880 9.4834 119.8624 56.7610 40.8636 178.4863 79 L 4.0508 6.8824 116.8587 56.4446 42.3821 177.2830 80 N 4.4364 7.4649 112.4912 53.8486 35.7813 172.6638 81 Y 5.0365 8.1155 120.2707 57.2097 40.8412 176.3381 82 E 5.1059 8.6519 118.2004 54.9623 33.2918 175.5622 83 L 5.2238 8.7781 121.3930 52.8642 45.7131 175.4801 84 L 4.9721 8.8399 124.7376 53.4534 44.7341 174.9523 85 I 4.7242 8.9367 128.3993 60.1133 39.2281 175.3583 86 V 4.4755 8.5895 125.4072 61.4660 35.2863 174.3436 87 S 5.1932 8.3796 122.3643 56.4114 60.9934 171.4705 88 Q 4.2297 8.2800 121.5725 54.7504 29.0054 176.4030 89 F 4.5019 8.5187 121.5279 59.1701 38.4060 176.9730 90 T 3.6029 6.7417 109.3102 63.2211 68.4491 175.9358 91 L 4.1022 7.7563 121.1578 56.8361 41.7073 177.1037 92 F 4.8611 7.9781 116.1004 57.0556 39.9183 176.3312 93 G 4.0374 8.4241 107.2916 46.5305 0.0000 173.2378 94 N 4.7480 9.1636 127.3308 53.1417 40.0777 175.4087 95 T 4.7080 8.2603 113.3910 61.3706 70.2734 174.8992 96 K 4.0637 8.4645 125.7338 60.1692 32.6507 178.8473 97 K 3.4953 7.9849 113.7295 57.6617 31.8096 180.8701 98 G 4.3794 8.2473 111.8744 45.6934 0.0000 173.4925 99 N 4.7036 8.7718 123.6654 52.7527 38.7466 174.7943 100 K 4.3674 7.6085 119.3465 53.5450 33.3920 173.9709 101 P 4.4480 0.0000 0.0000 62.4543 32.1338 175.8307 102 D 4.3720 8.7481 120.9140 51.5532 41.7344 176.5600 103 F 5.5405 7.8828 121.5339 57.7315 39.7188 177.5644 104 H 4.3064 7.9317 119.6902 58.3998 28.4090 176.8681 105 L 4.0673 8.0582 117.7667 55.3746 42.0289 175.5322 106 A 4.5520 7.6500 121.5001 49.6200 20.4327 177.1535 107 K 3.8712 8.4847 124.0498 56.3668 33.2113 176.2586 108 E 3.9288 8.8540 127.2885 56.2238 30.1374 175.7510 109 P 4.5916 0.0000 0.0000 66.0365 31.2106 178.5791 110 N 4.3306 9.3809 115.4454 56.5251 38.6308 177.4107 111 E 3.9961 9.2724 119.9860 59.2662 29.4840 178.8837 112 A 4.1216 8.7053 121.2129 55.5114 18.4794 179.1094 113 L 2.7309 7.8847 117.8099 58.0959 41.9393 179.6241 114 I 3.6987 7.4808 119.5177 64.3642 37.0918 178.1843 115 F 4.1777 8.5295 121.5457 61.5877 39.2678 176.0166 116 Y 4.2389 9.0802 119.4337 61.4883 38.5919 177.5481 117 N 4.0102 9.0578 115.9980 56.8630 38.6929 176.9507 118 K 3.8280 9.0356 119.4675 60.0884 32.4175 179.4272 119 I 3.6591 7.8086 119.6404 64.3452 37.0298 178.3075 120 I 3.7991 7.6410 120.6076 64.7035 36.8691 178.0503 121 D 4.3922 7.9264 118.9790 57.5345 40.6031 178.5819 122 E 4.0933 8.2014 119.2874 58.9973 29.7416 178.5274 123 F 4.3519 8.6920 118.4848 60.4809 38.6678 177.6362 124 K 4.0380 8.2157 117.2892 59.5963 32.2317 179.3865 125 K 4.2612 8.0513 118.0743 59.4859 32.0675 178.2417 126 Q 4.3360 8.2856 117.0920 58.0067 29.6870 176.1406 127 Y 4.4583 8.2966 120.0272 56.7457 39.0510 174.2393 128 N 4.7840 7.3657 112.5680 52.6766 42.5185 174.8347 129 D 4.4979 8.6033 123.8011 54.9610 40.0579 176.5564 130 D 4.4121 8.5844 119.1963 55.5727 41.5573 176.6082 131 K 4.1593 7.6152 117.3142 56.8293 32.5381 175.5413 132 I 4.7825 7.5324 122.6194 59.8997 39.2044 175.7230 133 K 4.8530 8.7653 130.0043 53.4109 35.6818 171.8024 134 I 5.2515 7.6452 113.1849 58.8082 41.3263 173.1187 135 G 4.2342 8.1215 110.2301 43.4409 0.0000 172.0602 136 K 4.3052 8.3244 118.4328 55.3125 32.5445 177.3937 137 F 3.9322 9.2537 127.1953 61.3334 39.2027 176.1582 138 G 3.8050 8.1533 105.3125 45.5967 0.0000 172.7058 139 N 5.0419 7.2914 116.7909 50.7267 41.2417 173.9679 140 Y 4.1440 8.5436 120.9232 58.6589 39.2904 175.5602 141 M 4.7357 7.0236 124.7359 53.3656 36.1528 173.8876 142 N 4.7856 8.9033 121.6646 51.8691 41.4677 173.3846 143 I 4.8851 8.1739 126.0432 59.5804 40.3358 174.7633 144 D 4.6232 9.0481 128.6857 54.0741 41.9945 176.0160 145 V 4.6026 8.2641 122.2017 61.5702 34.7814 174.9497 146 T 4.3859 8.8647 125.5119 62.0329 69.1843 173.4943 147 N 4.8921 8.5681 124.4214 52.9732 39.2323 174.6779 148 D 4.0120 8.8565 126.1017 56.3610 41.6109 175.2871 149 G 4.1611 9.2292 119.2045 44.7067 0.0000 172.1960 150 P 4.7168 0.0000 0.0000 60.2886 33.5195 176.0301 151 V 4.3770 7.9814 117.3602 61.7634 34.1880 173.7975 152 T 5.2239 8.6129 124.4437 61.9929 71.1751 174.3227 153 I 4.6711 8.6971 125.4208 60.0720 41.7494 173.3155 154 Y 5.4873 8.6769 127.3787 54.9963 41.5570 174.6511 155 I 4.6251 7.2443 124.8419 59.5209 41.9902 173.3561 156 D 5.1184 8.5325 125.7855 52.4050 42.4176 176.0414 157 T 3.7135 8.7918 117.3247 64.0951 69.3103 174.1274 158 H 4.7948 8.1985 121.5163 55.2478 28.1615 175.1389 159 D 4.6574 7.5749 118.2164 55.5141 45.8497 176.9142 160 I 3.8637 7.1144 119.5480 59.9283 35.3527 179.2996 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 8.06 5.58 0.00 1.73 2.03 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.00 0.00 2 R 8.51 4.79 0.00 1.44 1.53 0.00 2.21 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 3 V 8.25 4.95 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 0.59 0.00 0.00 1.04 0.00 0.00 4 V 9.12 4.70 2.24 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 1.11 0.00 0.00 1.03 0.00 0.00 5 I 8.99 4.91 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 1.29 0.88 0.94 0.00 0.00 6 Q 8.96 5.81 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 7 R 8.45 4.31 0.00 1.66 1.79 0.00 2.21 0.00 0.00 2.52 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.69 0.00 8 V 9.01 5.01 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 0.71 0.00 0.00 1.05 0.00 0.00 9 K 8.56 4.15 0.00 1.69 1.84 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.39 7.81 10 G 7.76 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 0.00 0.00 0.00 0.00 11 A 8.91 5.14 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 12 I 9.39 4.69 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 1.10 0.76 0.90 0.00 0.00 13 L 8.67 5.02 0.00 1.69 1.48 0.86 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.62 5.19 0.00 3.70 3.68 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 0.00 0.00 0.00 15 V 7.73 4.75 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 0.68 0.00 0.00 1.00 0.00 0.00 16 R 7.88 3.59 0.00 1.87 1.89 0.00 3.41 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 *26 E 8.51 4.10 0.00 2.05 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 0.00 2.13 1.91 0.00 27 L 8.30 5.19 0.00 1.65 1.69 1.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.38 4.60 0.00 1.99 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 2.36 0.00 29 I 8.78 4.32 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 1.40 0.53 0.93 0.00 0.00 30 I 8.90 4.73 1.88 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 1.23 0.52 1.01 0.00 0.00 31 S 7.90 4.85 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 32 E 8.46 5.22 0.00 2.06 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 2.17 2.28 0.00 33 I 8.49 4.55 1.84 0.00 0.00 0.83 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 0.76 0.93 0.00 0.00 34 K 8.61 4.48 0.00 1.70 1.63 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.55 7.81 35 N 8.08 4.73 0.00 1.44 1.85 0.00 0.00 7.46 7.84 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 36 G 6.83 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 37 L 8.87 5.40 0.00 1.61 1.57 1.10 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.40 4.52 1.78 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.36 1.06 0.00 0.00 39 C 8.36 5.30 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 40 F 9.40 4.68 0.00 2.94 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 41 L 9.53 5.08 0.00 1.74 1.88 1.27 1.10 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 42 G 9.23 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 43 I 8.60 4.96 2.08 0.00 0.00 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 1.64 0.98 0.88 0.00 0.00 44 H 9.83 3.73 0.00 2.88 3.39 0.00 5.59 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.45 3.87 0.00 1.86 1.72 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.29 7.81 46 N 7.99 4.95 0.00 2.75 2.85 0.00 0.00 6.94 8.06 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 47 D 7.66 4.83 0.00 2.55 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 0.00 0.00 0.00 0.00 48 T 8.03 4.84 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 1.26 0.00 0.00 49 W 9.33 4.60 0.00 3.56 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 E 8.05 3.92 0.00 2.21 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 2.56 0.00 51 D 8.53 4.39 0.00 3.01 2.87 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 52 A 7.92 3.89 0.38 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 53 L 6.93 3.45 0.00 1.68 1.64 0.77 0.79 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 54 Y 7.64 3.92 0.00 3.04 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 55 I 8.27 3.69 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.71 0.97 0.00 0.00 56 I 7.31 3.08 1.43 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 -0.20 0.05 0.39 0.00 0.00 57 R 8.03 3.76 0.00 1.70 1.78 0.00 3.01 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.57 0.00 58 K 7.85 3.74 0.00 1.84 1.73 0.00 1.61 0.00 0.00 1.46 0.00 0.00 2.68 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.76 0.97 7.81 59 C 8.38 4.20 0.00 3.40 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 60 L 8.40 4.20 0.00 1.90 1.68 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.07 4.86 0.00 2.60 2.82 0.00 0.00 6.99 7.39 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 62 L 7.46 3.89 0.00 1.75 1.71 0.94 0.77 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 63 R 8.60 4.54 0.00 2.01 2.08 0.00 3.14 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.89 0.00 64 L 8.72 4.98 0.00 0.92 1.40 0.82 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 65 W 7.88 4.70 0.00 3.40 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 66 N 8.55 4.66 0.00 2.70 2.73 0.00 0.00 6.56 6.92 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 67 N 8.11 5.15 0.00 2.85 2.67 0.00 0.00 7.01 8.54 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 68 D 7.94 4.60 0.00 2.75 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 69 N 8.76 4.64 0.00 2.81 3.25 0.00 0.00 7.08 7.61 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 70 K 7.96 4.48 0.00 1.70 1.68 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.35 1.24 7.81 71 T 7.68 5.40 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 1.22 0.00 0.00 72 W 8.14 3.92 0.00 3.46 3.37 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 73 D 8.00 4.85 0.00 2.66 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 74 K 8.46 5.09 0.00 1.82 1.63 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.46 7.81 75 N 8.71 5.58 0.00 3.03 3.25 0.00 0.00 6.99 7.84 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 76 V 9.05 3.39 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 0.93 0.00 0.00 1.08 0.00 0.00 77 K 7.38 3.26 0.00 1.71 1.78 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.28 7.81 78 D 9.48 4.39 0.00 2.70 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 79 L 6.88 4.05 0.00 0.34 0.26 0.36 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.46 4.44 0.00 2.71 3.12 0.00 0.00 6.93 7.04 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 81 Y 8.12 5.04 0.00 2.70 2.70 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 0.00 0.00 0.00 0.00 82 E 8.65 5.11 0.00 1.86 1.80 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 2.20 2.29 0.00 83 L 8.78 5.22 0.00 1.46 1.22 1.08 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.84 4.97 0.00 1.63 1.41 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.94 4.72 1.79 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.96 1.03 0.00 0.00 86 V 8.59 4.48 1.66 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 0.68 0.00 0.00 0.77 0.00 0.00 87 S 8.38 5.19 0.00 3.55 3.38 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 88 Q 8.28 4.23 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.72 2.48 0.00 89 F 8.52 4.50 0.00 3.23 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 90 T 6.74 3.60 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 -0.15 0.00 0.00 91 L 7.76 4.10 0.00 1.72 1.46 0.91 0.86 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 92 F 7.98 4.86 0.00 3.33 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 93 G 8.42 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 0.00 0.00 0.00 94 N 9.16 4.75 0.00 2.96 2.86 0.00 0.00 6.46 6.66 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 95 T 8.26 4.71 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 1.27 0.00 0.00 96 K 8.46 4.06 0.00 1.77 1.90 0.00 1.92 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.43 7.81 97 K 7.98 3.50 0.00 1.77 1.55 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.05 7.81 98 G 8.25 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 0.00 0.00 0.00 0.00 99 N 8.77 4.70 0.00 2.71 2.82 0.00 0.00 6.43 7.61 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 0.00 100 K 7.61 4.37 0.00 1.63 1.65 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.38 7.81 101 P 0.00 4.45 0.00 1.68 1.96 0.00 3.64 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 2.15 2.11 0.00 102 D 8.75 4.37 0.00 2.63 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 0.00 103 F 7.88 5.54 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 0.00 104 H 7.93 4.31 0.00 3.26 3.37 0.00 5.84 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.06 4.07 0.00 1.85 1.61 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.65 4.55 1.42 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 0.00 107 K 8.48 3.87 0.00 1.89 1.76 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.29 7.81 108 E 8.85 3.93 0.00 2.04 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 2.30 0.00 109 P 0.00 4.59 0.00 2.27 2.26 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 110 N 9.38 4.33 0.00 3.05 2.86 0.00 0.00 6.94 7.91 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 0.00 111 E 9.27 4.00 0.00 1.98 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 2.35 2.46 0.00 112 A 8.71 4.12 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.88 2.73 0.00 0.51 1.56 0.53 0.95 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 0.00 114 I 7.48 3.70 2.08 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 1.40 0.64 0.96 0.00 0.00 115 F 8.53 4.18 0.00 3.31 3.33 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 0.00 116 Y 9.08 4.24 0.00 3.18 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 0.00 117 N 9.06 4.01 0.00 3.09 2.82 0.00 0.00 7.13 6.94 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 0.00 118 K 9.04 3.83 0.00 1.71 1.77 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.77 7.81 119 I 7.81 3.66 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.27 0.85 0.00 0.00 120 I 7.64 3.80 1.93 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 1.06 0.84 0.88 0.00 0.00 121 D 7.93 4.39 0.00 2.89 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 0.00 122 E 8.20 4.09 0.00 2.39 2.23 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 2.45 2.40 0.00 123 F 8.69 4.35 0.00 3.35 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 0.00 124 K 8.22 4.04 0.00 1.92 1.87 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.71 7.81 125 K 8.05 4.26 0.00 1.99 1.92 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.68 7.81 126 Q 8.29 4.34 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 127 Y 8.30 4.46 0.00 3.09 2.89 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 0.00 128 N 7.37 4.78 0.00 2.60 1.78 0.00 0.00 6.67 8.49 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 0.00 129 D 8.60 4.50 0.00 2.81 2.75 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 0.00 130 D 8.58 4.41 0.00 2.52 2.61 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 0.00 131 K 7.62 4.16 0.00 1.14 1.30 0.00 1.83 0.00 0.00 1.50 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.87 0.33 7.81 132 I 7.53 4.78 1.81 0.00 0.00 0.83 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 0.89 0.72 0.00 0.00 133 K 8.77 4.85 0.00 1.42 1.63 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.21 7.81 134 I 7.65 5.25 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 2.21 0.94 0.00 0.00 135 G 8.12 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 0.00 0.00 0.00 0.00 136 K 8.32 4.31 0.00 1.82 1.80 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.40 7.81 137 F 9.25 3.93 0.00 2.84 3.08 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 0.00 138 G 8.15 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 0.00 0.00 0.00 139 N 7.29 5.04 0.00 2.70 2.77 0.00 0.00 6.84 7.25 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 0.00 140 Y 8.54 4.14 0.00 2.94 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 0.00 141 M 7.02 4.74 0.00 1.71 1.66 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.40 0.00 142 N 8.90 4.79 0.00 2.82 2.64 0.00 0.00 6.81 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 0.00 143 I 8.17 4.89 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 1.28 0.72 0.88 0.00 0.00 144 D 9.05 4.62 0.00 2.60 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.26 4.60 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 0.88 0.00 0.00 1.00 0.00 0.00 146 T 8.86 4.39 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 147 N 8.57 4.89 0.00 2.61 2.80 0.00 0.00 7.10 8.06 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 0.00 148 D 8.86 4.01 0.00 2.92 2.68 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 0.00 0.00 0.00 149 G 9.23 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 0.00 0.00 0.00 0.00 150 P 0.00 4.72 0.00 2.19 2.06 0.00 3.33 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 151 V 7.98 4.38 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 1.24 0.00 0.00 0.90 0.00 0.00 152 T 8.61 5.22 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 1.23 0.00 0.00 153 I 8.70 4.67 1.90 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 1.12 0.83 0.92 0.00 0.00 154 Y 8.68 5.49 0.00 2.95 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 0.00 155 I 7.24 4.63 1.77 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 1.31 0.59 1.01 0.00 0.00 156 D 8.53 5.12 0.00 2.85 2.80 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 0.00 157 T 8.79 3.71 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 1.28 0.00 0.00 158 H 8.20 4.79 0.00 3.26 3.29 0.00 5.64 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.57 4.66 0.00 2.55 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 0.00 160 I 7.11 3.86 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 1.16 0.62 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.