NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3539 8.4293 121.4711 56.1427 30.1808 174.7192 4 E 4.6309 8.3638 123.1731 54.5114 32.4908 171.2155 5 E 4.6439 8.7618 120.7365 54.0496 34.1378 176.9938 6 A 4.1038 8.5771 125.4134 52.0481 19.0546 177.0401 7 E 4.0093 8.4970 121.4162 56.0779 30.3108 176.7351 8 Q 4.2206 8.5451 124.9375 55.8362 29.2551 175.3480 9 N 5.0907 8.3725 119.6174 50.3094 42.8774 175.4299 10 L 3.8810 8.5210 122.6243 58.3696 42.2446 179.4632 11 S 4.4009 7.5909 116.3522 60.6886 62.5705 175.6408 12 E 4.1735 8.0074 121.1282 58.1661 29.4971 177.8323 13 L 4.3432 7.6238 117.6542 56.0593 42.2004 177.5135 14 S 4.8039 7.3515 114.8605 58.8025 63.8604 175.0900 15 G 3.8010 8.3882 109.9215 43.9695 0.0000 170.0366 16 P 5.1083 0.0000 0.0000 62.7963 32.3524 175.6820 17 W 5.5035 9.0813 123.0280 55.0041 33.1539 174.8828 18 R 5.0563 9.6467 120.5133 54.7996 33.9580 174.8510 19 T 4.1910 8.7927 118.9144 63.8501 68.9592 173.6108 20 V 3.9853 8.3395 125.1524 64.1194 32.9199 175.1500 21 Y 5.0186 7.2482 116.5590 56.3159 42.5354 173.9609 22 I 4.8886 8.4076 122.0081 59.8141 41.1852 174.7229 23 G 4.2824 9.2980 114.1205 44.5887 0.0000 171.9038 24 S 5.2910 8.2551 114.8185 56.5781 65.0883 174.2384 25 T 4.0124 8.7128 116.5098 63.5252 69.6721 173.7608 26 N 4.8012 8.1312 121.1591 50.4652 39.7968 172.4205 27 P 4.2952 0.0000 0.0000 66.0940 31.1470 177.8673 28 E 4.0288 8.2987 116.5842 59.2748 29.2359 179.2947 29 K 4.3476 8.3249 119.2844 57.9791 31.8511 178.0701 30 I 4.6683 7.4323 110.0956 60.3626 38.3909 175.5550 31 Q 4.3060 7.6371 120.4127 54.9220 29.4302 174.8231 32 E 4.0151 8.5279 119.5357 58.4351 29.6753 176.6791 33 N 4.8676 8.3783 120.5033 53.8406 36.0622 174.5474 34 G 3.9513 8.4080 108.9945 44.2171 0.0000 173.7199 35 P 4.3015 0.0000 0.0000 64.7030 31.5104 177.1237 36 F 4.6685 8.3898 116.6383 57.3513 39.4767 176.9342 37 R 4.3750 7.5903 123.3408 55.0201 28.2112 175.4747 38 T 4.7701 7.6304 109.0575 60.6946 70.6735 174.7260 39 Y 4.6001 9.3486 125.0679 56.3949 38.8870 175.3576 40 F 4.8745 9.4654 124.0819 58.2984 39.7307 174.6633 41 R 4.7160 9.4969 118.7103 57.4710 32.6365 175.4771 42 E 5.3974 8.0028 116.1791 55.1237 34.5333 173.6609 43 L 4.8883 9.0370 121.0909 52.8658 46.0906 175.7956 44 V 4.5568 8.1107 122.1646 61.2079 34.2273 174.0096 45 F 5.0227 9.3179 127.5560 56.0077 40.9362 175.2984 46 D 4.7201 8.9987 122.4725 52.5206 42.8641 175.8176 47 D 4.4374 9.0425 126.8437 57.4544 41.2960 178.0571 48 E 4.0896 8.4312 118.3520 59.3054 29.6471 178.0065 49 K 4.1050 8.4255 115.9344 56.7757 32.8008 176.9139 50 G 3.8603 8.3539 107.5158 47.0135 0.0000 172.7099 51 T 5.3617 7.6432 107.1365 59.6351 73.4141 173.3604 52 V 4.4439 8.3506 120.9807 61.2376 35.0090 173.5083 53 D 5.0402 8.7096 128.1589 52.7226 43.0611 175.2455 54 F 4.6467 9.0466 122.5456 55.7885 41.5894 174.4187 55 Y 4.9106 8.4368 120.5863 56.1383 41.1960 174.7290 56 F 5.5134 8.3170 118.4558 55.9350 42.4200 173.0797 57 S 5.6264 9.6339 114.3436 56.9415 66.5305 174.0983 58 V 5.1554 9.0913 122.0403 60.2358 35.4010 173.6557 59 K 4.2901 8.3106 124.6512 55.2487 33.7133 175.3703 60 R 4.6427 8.6380 127.3619 55.6360 32.8053 174.5399 61 D 4.4342 9.7454 124.9019 55.5711 38.0884 174.9914 62 G 3.9539 8.4413 107.5814 44.9790 0.0000 174.1473 63 K 4.6667 7.4342 118.0014 54.4379 36.4225 175.6739 64 W 4.8210 8.8129 121.8378 56.7524 29.9106 175.7556 65 K 4.7884 9.5175 124.1458 54.6671 35.2011 174.7562 66 N 5.2738 8.7752 121.1768 52.0997 39.9577 174.6291 67 V 4.2735 8.5651 123.7231 61.0185 35.0676 173.5088 68 H 4.8955 8.3795 125.3148 54.1313 32.5004 172.7043 69 V 4.1772 8.1077 124.5124 60.7867 35.0089 173.6896 70 K 4.8192 8.5561 128.3061 54.7285 33.7958 174.7802 71 A 5.0126 8.9284 129.7630 50.7015 21.7866 175.3300 72 T 5.0627 8.7793 117.6390 61.4547 71.5150 173.8984 73 K 3.8785 8.9106 128.0845 56.2811 33.1721 176.2743 74 Q 4.5724 8.8565 125.4145 53.8627 31.1890 176.5508 75 D 4.3234 8.5808 118.7903 57.7499 40.7563 177.8123 76 D 4.4737 7.9463 114.9431 53.7791 39.3990 177.0758 77 G 3.8857 8.1372 109.4959 45.6006 0.0000 173.9884 78 T 4.5385 8.2530 110.7724 61.5227 70.9850 173.1143 79 Y 5.3113 9.2236 118.7189 56.3256 41.7783 175.4212 80 V 5.1247 8.8635 114.9660 59.9309 35.3394 174.6497 81 A 4.8624 8.7254 123.9647 50.8130 23.1694 174.6062 82 D 5.0018 8.3955 120.3293 53.3071 42.4551 175.5596 83 Y 4.3414 9.0833 123.2427 57.9557 41.9625 173.5701 84 E 3.4442 9.6631 129.3670 57.7047 27.7007 172.8503 85 G 3.8138 7.7587 103.7278 44.1745 0.0000 172.1246 86 Q 4.9980 8.5641 117.6503 54.6229 31.0991 174.9578 87 N 5.5991 8.9504 119.5338 51.4962 43.2068 173.7132 88 V 4.5913 8.7085 121.6136 61.3230 34.6199 173.7753 89 F 5.1969 9.6685 131.7406 56.3837 41.4456 174.0206 90 K 4.8770 8.8167 127.7911 54.5874 34.8872 174.7160 91 I 4.1845 8.5124 128.4483 60.8756 37.0955 175.7455 92 V 3.9704 8.6511 128.6018 65.0964 32.4403 176.4355 93 S 4.7585 7.8049 113.7745 56.8943 65.9345 172.8525 94 L 5.1418 8.4297 128.0697 53.9806 44.9996 174.7718 95 S 4.6722 9.0778 119.4953 56.9027 66.2057 174.4585 96 R 3.8169 8.7507 119.7381 58.9916 29.8364 176.7224 97 T 4.5972 8.0115 105.7816 61.3564 71.1349 173.3141 98 H 5.8728 8.3034 116.9239 54.3163 32.9713 172.1972 99 L 5.0966 9.4086 120.7794 53.7819 45.6742 174.6307 100 V 5.0680 9.1203 126.2801 61.1937 34.3312 174.1415 101 A 5.0667 8.9500 128.0871 50.5693 23.5448 173.8519 102 H 5.3037 8.8569 118.6916 54.3302 33.0181 171.8334 103 N 5.3652 9.2204 124.3268 51.7732 42.2969 172.7302 104 I 4.7649 8.6359 126.6467 59.5401 39.7861 173.9393 105 N 5.5156 9.1697 126.3056 51.6274 42.0812 173.1414 106 V 4.8876 8.6904 125.8307 61.1851 34.4154 175.2276 107 D 5.1313 8.7376 129.0071 51.9921 40.9374 176.9950 108 K 4.0936 8.4808 116.9701 59.0440 32.2316 176.8128 109 H 4.7860 8.7508 116.1772 55.4862 29.3852 174.7570 110 G 3.8925 8.4344 107.3301 45.4832 0.0000 173.4328 111 Q 4.2435 8.0058 121.7888 55.7137 30.3358 174.2249 112 T 5.1101 8.4662 121.1189 60.9937 69.1579 173.6659 113 T 4.6994 9.0048 124.6827 61.7770 72.8944 172.5047 114 E 5.1040 9.0899 125.0539 54.5820 32.4417 175.1171 115 L 5.4350 9.0223 123.4878 53.0817 46.1669 175.5732 116 T 5.1956 8.7516 113.1911 60.9545 72.3842 173.2273 *117 E 5.0236 8.9353 119.5877 55.1958 34.9942 174.0110 118 L 5.0780 8.2919 122.6966 53.5430 45.1674 175.3580 119 F 5.4908 9.5612 124.7902 55.6065 43.3038 174.3626 120 V 5.0668 9.1458 121.0319 59.9228 34.5074 174.3658 121 K 3.8240 8.1213 124.2152 54.9638 33.4041 175.9495 122 L 4.3662 8.1082 127.0618 53.6146 42.3017 175.8109 123 N 4.6285 8.5269 122.1415 51.3360 39.9596 174.8282 124 V 4.2054 8.1214 123.0625 60.8622 32.9258 175.4482 125 E 4.2888 8.4387 127.2603 55.7210 31.5716 177.3537 126 D 4.4114 8.6653 122.7018 57.7716 41.0927 179.2576 127 E 4.0542 8.1901 117.2865 59.4522 29.5604 178.7293 128 D 4.4083 8.0608 119.6054 57.1288 40.9434 178.4260 129 L 4.1113 8.0231 119.6625 57.7522 41.5517 179.1641 130 E 4.1521 8.5614 119.3989 59.2319 29.6081 178.9756 131 K 3.9790 8.2892 118.6180 59.3544 32.1137 179.0717 132 F 4.0391 8.2854 120.8187 61.2330 39.3564 177.3343 133 W 4.0057 8.3744 118.6265 59.2756 28.6992 178.5747 134 K 4.3068 8.3859 121.3765 59.0268 31.6901 178.6656 135 L 3.8826 7.8442 120.5953 58.4394 42.0462 179.0898 136 T 3.6987 7.6723 116.0152 66.3636 68.1698 176.4759 137 E 4.1027 8.3937 119.4852 59.1955 29.5602 178.8119 138 D 4.3746 8.0483 119.5022 56.6954 40.8731 177.7297 139 K 4.4249 7.6497 116.2436 55.3424 32.2511 176.7988 140 G 3.8948 7.7312 106.9770 46.5965 0.0000 173.8498 141 I 4.2269 7.4289 120.3330 59.3596 38.3061 175.7714 142 D 4.5728 8.5081 124.9219 53.7105 41.8291 177.1108 143 K 4.2066 8.7294 124.7414 59.5204 32.1795 178.1889 144 K 4.3089 8.5621 116.3534 57.6905 32.1619 176.9796 145 N 5.0227 8.1650 116.8396 52.9737 39.0672 174.7183 146 V 4.4957 7.8509 116.9459 60.9909 34.2996 174.3966 147 V 4.1800 8.4746 126.1793 61.0673 32.8696 174.7243 148 N 4.7619 8.2739 125.2909 52.2734 38.4882 175.1516 149 F 3.7724 8.8398 126.0061 59.9412 39.1255 177.3490 150 L 4.0042 7.9831 119.8129 58.3019 41.7722 178.7260 151 E 4.1682 8.0925 116.5329 58.8190 29.8735 178.6855 152 N 4.4662 7.5618 116.8206 56.4555 38.4549 177.3002 153 E 4.0045 8.0382 118.4541 59.2724 29.5993 178.7012 154 N 4.6123 7.9911 114.9935 54.6210 40.0733 175.1571 155 H 4.8310 7.6342 116.4085 53.4576 29.3602 170.6694 156 P 4.5240 0.0000 0.0000 62.6803 33.3705 174.7910 157 H 4.6001 7.9734 114.8867 55.3005 30.9658 172.2650 *158 P 4.2054 0.0000 0.0000 62.4646 31.2936 172.7432 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 3 E 8.43 4.35 0.00 1.95 1.96 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 2.19 2.31 0.00 4 E 8.36 4.63 0.00 2.14 1.85 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 2.18 2.35 0.00 5 E 8.76 4.64 0.00 1.92 1.84 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 2.20 2.27 0.00 6 A 8.58 4.10 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 7 E 8.50 4.01 0.00 1.95 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 2.30 2.34 0.00 8 Q 8.55 4.22 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.52 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 9 N 8.37 5.09 0.00 2.70 2.65 0.00 0.00 6.73 6.74 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 10 L 8.52 3.88 0.00 1.74 2.13 0.72 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.59 4.40 0.00 4.01 3.96 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 12 E 8.01 4.17 0.00 1.97 2.19 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 2.33 2.41 0.00 13 L 7.62 4.34 0.00 1.65 1.61 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.35 4.80 0.00 4.10 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 15 G 8.39 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 16 P 0.00 5.11 0.00 2.14 2.43 0.00 3.64 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 2.19 1.98 0.00 17 W 9.08 5.50 0.00 3.35 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 18 R 9.65 5.06 0.00 1.73 1.87 0.00 3.41 0.00 0.00 3.52 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 19 T 8.79 4.19 4.07 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 0.88 0.00 0.00 20 V 8.34 3.99 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 0.25 0.00 0.00 0.84 0.00 0.00 21 Y 7.25 5.02 0.00 2.75 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 0.00 0.00 0.00 0.00 22 I 8.41 4.89 1.85 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 1.15 0.33 0.98 0.00 0.00 23 G 9.30 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 24 S 8.26 5.29 0.00 3.80 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 25 T 8.71 4.01 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 1.24 0.00 0.00 26 N 8.13 4.80 0.00 2.71 2.70 0.00 0.00 6.75 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 27 P 0.00 4.30 0.00 2.30 2.32 0.00 3.75 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 2.08 2.04 0.00 28 E 8.30 4.03 0.00 2.24 2.28 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 2.57 2.39 0.00 29 K 8.32 4.35 0.00 1.97 2.09 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.57 7.81 30 I 7.43 4.67 1.94 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 1.41 0.71 1.05 0.00 0.00 31 Q 7.64 4.31 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 32 E 8.53 4.02 0.00 1.94 1.89 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 2.26 2.32 0.00 33 N 8.38 4.87 0.00 2.91 2.94 0.00 0.00 7.26 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 34 G 8.41 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 35 P 0.00 4.30 0.00 1.80 2.07 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.02 0.00 36 F 8.39 4.67 0.00 3.24 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 37 R 7.59 4.37 0.00 2.03 1.99 0.00 3.36 0.00 0.00 3.51 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.68 0.00 38 T 7.63 4.77 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 0.84 0.00 0.00 39 Y 9.35 4.60 0.00 3.27 3.09 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 40 F 9.47 4.87 0.00 3.09 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 41 R 9.50 4.72 0.00 1.94 2.03 0.00 3.17 0.00 0.00 3.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 42 E 8.00 5.40 0.00 1.85 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 2.32 2.30 0.00 43 L 9.04 4.89 0.00 1.19 0.55 -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.11 4.56 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 1.04 0.00 0.00 0.98 0.00 0.00 45 F 9.32 5.02 0.00 3.00 2.95 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 46 D 9.00 4.72 0.00 2.71 2.55 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 0.00 0.00 0.00 0.00 47 D 9.04 4.44 0.00 2.75 2.76 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 48 E 8.43 4.09 0.00 2.06 2.00 0.00 0.00 0.00 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 2.36 0.00 49 K 8.43 4.11 0.00 1.83 1.87 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.40 7.81 50 G 8.35 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 0.00 0.00 0.00 51 T 7.64 5.36 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 1.25 0.00 0.00 52 V 8.35 4.44 1.49 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 -0.53 0.00 0.00 0.44 0.00 0.00 53 D 8.71 5.04 0.00 2.63 2.42 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 54 F 9.05 4.65 0.00 2.66 2.63 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 55 Y 8.44 4.91 0.00 3.04 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 56 F 8.32 5.51 0.00 3.32 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 57 S 9.63 5.63 0.00 3.93 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 58 V 9.09 5.16 2.47 0.00 0.00 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 1.12 0.00 0.00 59 K 8.31 4.29 0.00 0.79 0.97 0.00 0.77 0.00 0.00 1.29 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.03 0.68 7.81 60 R 8.64 4.64 0.00 1.71 1.67 0.00 3.43 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.70 0.00 61 D 9.75 4.43 0.00 2.84 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 62 G 8.44 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 63 K 7.43 4.67 0.00 1.87 1.86 0.00 1.35 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.39 7.81 64 W 8.81 4.82 0.00 3.24 3.21 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 0.00 65 K 9.52 4.79 0.00 1.77 1.71 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.55 7.81 66 N 8.78 5.27 0.00 2.62 2.75 0.00 0.00 6.69 7.68 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 67 V 8.57 4.27 0.73 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 0.55 0.00 0.00 0.86 0.00 0.00 68 H 8.38 4.90 0.00 2.80 2.96 0.00 5.92 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.11 4.18 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 0.73 0.00 0.00 0.72 0.00 0.00 70 K 8.56 4.82 0.00 1.66 1.62 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.60 7.81 71 A 8.93 5.01 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 72 T 8.78 5.06 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 1.22 0.00 0.00 73 K 8.91 3.88 0.00 0.79 1.67 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.22 0.91 7.81 74 Q 8.86 4.57 0.00 2.26 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.56 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 75 D 8.58 4.32 0.00 2.65 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 76 D 7.95 4.47 0.00 2.76 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 77 G 8.14 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 78 T 8.25 4.54 4.34 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 1.28 0.00 0.00 79 Y 9.22 5.31 0.00 3.11 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 80 V 8.86 5.12 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 0.80 0.00 0.00 1.04 0.00 0.00 81 A 8.73 4.86 1.14 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 0.00 0.00 82 D 8.40 5.00 0.00 2.69 2.60 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 83 Y 9.08 4.34 0.00 2.84 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 84 E 9.66 3.44 0.00 1.55 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 1.47 1.47 0.00 85 G 7.76 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.56 5.00 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 87 N 8.95 5.60 0.00 2.81 2.76 0.00 0.00 6.26 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 88 V 8.71 4.59 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 1.09 0.00 0.00 0.97 0.00 0.00 89 F 9.67 5.20 0.00 3.04 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 90 K 8.82 4.88 0.00 1.85 1.57 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.41 7.81 91 I 8.51 4.18 2.01 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.94 0.98 0.00 0.00 92 V 8.65 3.97 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 0.71 0.00 0.00 0.91 0.00 0.00 93 S 7.80 4.76 0.00 3.97 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 94 L 8.43 5.14 0.00 1.63 1.48 0.95 0.72 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 95 S 9.08 4.67 0.00 4.07 4.07 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 96 R 8.75 3.82 0.00 1.81 2.03 0.00 3.17 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 97 T 8.01 4.60 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 1.16 0.00 0.00 98 H 8.30 5.87 0.00 3.40 3.48 0.00 5.23 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.41 5.10 0.00 1.68 1.70 1.04 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 100 V 9.12 5.07 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 1.00 0.00 0.00 1.07 0.00 0.00 101 A 8.95 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 H 8.86 5.30 0.00 3.09 3.03 0.00 5.54 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 9.22 5.37 0.00 2.83 2.57 0.00 0.00 6.64 7.40 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 0.00 104 I 8.64 4.76 1.84 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 1.04 0.61 0.89 0.00 0.00 105 N 9.17 5.52 0.00 2.76 2.39 0.00 0.00 6.16 7.27 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 0.00 106 V 8.69 4.89 2.09 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 0.95 0.00 0.00 0.93 0.00 0.00 107 D 8.74 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.75 5.20 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 1.18 0.00 0.00 *117 E 8.94 5.02 0.00 1.64 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 2.14 2.13 0.00 118 L 8.29 5.08 0.00 1.69 1.45 1.02 1.32 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 0.00 119 F 9.56 5.49 0.00 3.23 3.26 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 0.00 120 V 9.15 5.07 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 0.86 0.00 0.00 0.92 0.00 0.00 121 K 8.12 3.82 0.00 0.79 0.91 0.00 1.36 0.00 0.00 1.51 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.81 0.39 7.81 122 L 8.11 4.37 0.00 1.47 1.54 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 123 N 8.53 4.63 0.00 2.61 2.68 0.00 0.00 6.92 7.68 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 0.00 124 V 8.12 4.21 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 0.82 0.00 0.00 0.89 0.00 0.00 125 E 8.44 4.29 0.00 2.30 1.84 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 2.39 2.46 0.00 126 D 8.67 4.41 0.00 2.74 2.76 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 0.00 127 E 8.19 4.05 0.00 2.22 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 0.00 2.38 2.42 0.00 128 D 8.06 4.41 0.00 2.85 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 0.00 129 L 8.02 4.11 0.00 2.06 2.01 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.56 4.15 0.00 2.18 2.17 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 2.36 2.46 0.00 131 K 8.29 3.98 0.00 2.07 1.88 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.66 7.81 132 F 8.29 4.04 0.00 3.01 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 0.00 133 W 8.37 4.01 0.00 3.48 3.16 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 0.00 134 K 8.39 4.31 0.00 1.99 1.97 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.35 7.81 135 L 7.84 3.88 0.00 1.75 1.72 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 136 T 7.67 3.70 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 1.12 0.00 0.00 137 E 8.39 4.10 0.00 2.22 2.25 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 2.55 2.34 0.00 138 D 8.05 4.37 0.00 2.83 2.76 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 0.00 139 K 7.65 4.42 0.00 1.67 1.81 0.00 1.82 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 1.65 1.55 7.81 140 G 7.73 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 0.00 141 I 7.43 4.23 2.01 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 1.19 0.61 0.95 0.00 0.00 142 D 8.51 4.57 0.00 2.70 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.73 4.21 0.00 1.81 1.92 0.00 1.67 0.00 0.00 1.43 0.00 0.00 2.76 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.50 1.55 7.81 144 K 8.56 4.31 0.00 1.77 1.88 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.57 7.81 145 N 8.17 5.02 0.00 2.91 2.85 0.00 0.00 6.64 8.52 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 0.00 146 V 7.85 4.50 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 0.93 0.00 0.00 1.14 0.00 0.00 147 V 8.47 4.18 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 0.14 0.00 0.00 0.87 0.00 0.00 148 N 8.27 4.76 0.00 2.83 2.70 0.00 0.00 7.21 7.71 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 0.00 149 F 8.84 3.77 0.00 3.09 3.09 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 0.00 150 L 7.98 4.00 0.00 1.76 1.68 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.09 4.17 0.00 1.97 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 2.47 2.35 0.00 152 N 7.56 4.47 0.00 2.74 2.79 0.00 0.00 6.85 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 0.00 153 E 8.04 4.00 0.00 2.11 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 2.34 2.55 0.00 154 N 7.99 4.61 0.00 2.74 2.84 0.00 0.00 6.78 8.25 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 0.00 155 H 7.63 4.83 0.00 3.05 3.17 0.00 5.85 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 0.00 156 P 0.00 4.52 0.00 2.03 1.97 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.88 0.00 157 H 7.97 4.60 0.00 3.19 3.33 0.00 5.75 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *158 P 0.00 4.21 0.00 1.86 1.90 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.