NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.7683 8.3027 120.3907 56.2957 31.5797 175.1780 1 M 3.8572 8.1479 120.3083 57.9350 32.4487 174.8864 2 A 3.9848 8.1892 120.7133 55.1666 18.9344 178.7361 3 L 3.8866 7.8987 118.2703 58.1081 42.2077 178.6420 4 L 3.9384 8.0774 120.3259 58.3410 42.0757 179.0057 5 Q 3.9690 8.1940 117.8462 59.0022 28.6837 179.0415 6 K 3.9865 8.1767 119.7249 59.5620 32.0566 179.5293 7 T 3.5388 8.2317 110.5186 64.7697 68.5823 176.7486 8 R 3.9352 7.9337 120.8562 58.9688 29.7959 179.1453 9 I 3.6758 7.2989 118.3345 64.4861 37.4410 178.2775 10 I 3.7356 7.4699 120.5983 64.1231 36.9531 177.6636 11 N 4.5014 8.3422 117.7081 55.3673 38.4542 176.8377 12 S 4.0936 7.8156 115.3331 60.3906 63.5202 175.8606 13 M 4.4364 8.2519 124.0455 54.8220 31.2759 177.8269 14 L 4.4086 9.0319 123.6485 56.1854 41.9897 177.0757 15 Q 4.3920 7.9667 114.8531 56.1325 29.1025 176.3232 16 A 4.0139 8.0479 121.5489 54.4308 19.0605 180.2645 17 A 3.3454 8.6789 114.7316 49.3803 18.8110 176.9407 18 A 3.8171 8.4781 116.6517 51.3435 17.0591 179.4901 19 G 3.7951 7.9171 106.1613 47.9463 0.0000 175.3175 20 K 4.0636 7.7037 119.9956 54.9372 32.7961 174.4646 21 P 4.4052 0.0000 0.0000 62.0860 31.9487 176.3842 22 V 3.4709 7.8311 120.3953 62.8650 31.9101 176.0981 23 N 4.6661 8.0626 123.6874 51.0755 40.8301 174.6413 24 F 4.3409 8.3363 127.7613 60.1263 39.1674 177.3344 25 K 3.9065 8.2268 119.0388 59.4357 32.0265 178.2746 26 E 3.8949 8.5527 119.5259 59.5729 29.5590 178.6484 27 M 4.0386 8.0820 118.5041 58.3523 31.9360 178.5761 28 A 4.0137 8.3133 121.0342 55.2086 18.6527 179.5356 29 E 3.8500 8.2959 117.0547 59.7490 29.5021 179.6407 30 T 3.8300 7.9978 115.6951 66.8580 68.5079 176.7462 31 L 4.0019 8.0722 120.7257 57.4775 41.5802 179.4340 32 R 4.2003 8.1722 120.5269 59.1364 29.7830 178.3685 33 D 4.3793 7.7579 116.8259 57.0642 40.9230 178.7551 34 V 3.7159 7.7668 118.1022 66.0293 31.6990 177.7744 35 I 4.0116 7.9414 118.1516 60.9551 38.5503 174.2134 36 D 4.3697 8.4705 119.3394 53.2028 38.9986 172.0684 37 S 4.6913 7.1486 114.1880 56.8340 66.5561 174.1522 38 N 4.6906 8.9303 122.4084 53.5252 39.8222 174.2303 39 I 4.9729 8.4492 122.6673 59.5634 41.1841 174.3500 40 F 5.3072 9.4210 125.5575 55.6581 42.6309 174.0752 41 V 4.7154 9.1715 124.4049 61.3195 33.3445 174.3975 42 V 5.0332 8.6823 128.5555 60.9383 34.5752 175.6619 43 S 4.6734 9.0165 122.5242 57.3523 64.0356 175.1227 44 R 3.9816 8.5047 120.3002 59.3804 29.7930 177.0509 45 R 4.2587 8.0185 114.3539 56.0675 30.1817 176.9988 46 G 4.2347 8.3969 106.4531 46.3680 0.0000 173.4001 47 K 4.6004 7.8702 121.2063 54.7447 32.8328 175.5965 48 L 4.3366 8.3163 128.9720 55.4878 41.7025 176.2326 49 L 4.3073 8.7925 127.3497 56.2306 42.9886 177.1877 50 G 4.3622 7.8369 103.1249 46.3738 0.0000 171.9251 51 Y 5.3449 8.4407 117.7654 56.2956 41.0864 173.6988 52 S 4.3431 8.8772 114.2181 57.0517 66.4090 172.6962 53 I 5.0211 8.3236 127.1392 59.5361 39.3024 175.0492 54 N 4.8582 9.1923 122.2470 52.3335 38.2982 174.5224 55 Q 4.3210 8.4357 118.0005 55.0288 30.1765 174.4737 56 Q 4.1753 8.6979 122.9771 55.9270 29.3354 176.2311 57 I 4.5115 8.1002 122.3728 59.1142 40.3982 174.6501 58 E 3.9587 8.8567 126.4213 56.2824 29.5274 176.6889 59 N 4.7230 8.3336 125.2252 52.0017 40.6527 173.9141 60 D 4.2843 8.7894 129.5258 57.1313 41.0091 178.7164 61 R 3.6940 7.8570 118.8154 59.6625 30.1285 178.3852 62 M 3.7478 8.3516 118.6580 57.9002 31.7997 178.5549 63 K 3.7393 8.0680 120.0040 59.4162 32.3262 178.6952 64 K 3.7710 8.0546 119.9432 59.5419 32.0938 178.2419 65 M 3.8433 7.5636 119.6993 57.8697 31.7596 178.0867 66 L 3.6821 7.4640 117.8172 57.8804 41.8528 179.1214 67 E 4.0470 7.9661 117.2063 59.3998 29.5040 178.6929 68 D 4.4409 8.2948 117.1839 54.2330 41.3969 176.6790 69 R 3.7417 7.6782 117.8478 56.5895 28.0742 175.1229 70 Q 4.8929 7.1043 113.1652 55.4616 32.1623 172.9616 71 F 4.3809 9.1469 125.5458 56.4506 40.1903 173.8655 72 P 4.4726 0.0000 0.0000 62.4175 32.3628 176.9905 73 E 3.9217 9.1836 122.2610 59.8598 29.3605 179.0204 74 E 3.8543 8.1794 118.4645 59.5221 29.4172 178.2487 75 Y 3.8434 8.1016 116.3135 61.1882 37.8616 178.3347 76 T 3.8683 8.1163 116.7599 66.3985 68.6618 176.5361 77 K 3.8972 8.1077 121.4723 59.7725 32.0557 178.6967 78 N 4.1055 7.8126 115.0613 55.6963 38.5400 177.2556 79 L 4.2168 7.9219 120.9172 57.7446 41.5054 179.1156 80 F 4.1394 7.9906 119.5081 61.2012 39.3885 176.1835 81 N 4.7294 7.8471 113.0873 53.1169 38.5591 175.2712 82 V 3.9141 7.2945 121.7542 61.3238 30.9334 173.7920 83 P 4.3799 0.0000 0.0000 64.0436 31.9137 175.3429 84 E 4.6135 7.6178 115.0166 54.7260 32.2859 174.4297 85 T 4.0867 8.4100 115.5729 64.6269 69.1128 173.6796 86 S 4.6937 9.2662 121.2188 56.5335 64.9230 172.8328 87 S 4.8185 8.5871 121.2921 56.3970 65.8322 173.0306 88 N 4.2785 8.0741 114.9943 54.3872 36.5326 175.0585 89 L 4.0150 8.1722 118.2809 54.2434 42.8775 176.7723 90 D 5.0187 8.9487 121.7070 51.9493 42.4590 175.4652 91 I 3.7187 8.5832 111.7258 64.3882 37.0420 176.2583 92 N 4.7679 8.1636 115.4955 52.8129 38.4606 175.4837 93 S 4.2901 7.8356 115.3228 58.7800 63.3056 173.9314 94 E 4.2886 8.4079 118.9893 57.0484 31.0489 175.6592 *96 T 4.1064 7.5705 112.2926 62.0164 68.3380 172.1644 97 A 4.8400 8.3373 124.0674 51.6817 19.3852 176.0752 98 F 4.5709 7.8805 119.5357 55.5745 41.1171 175.1289 99 P 4.3784 0.0000 0.0000 62.5638 31.6470 177.2447 100 V 3.7970 8.6695 120.4387 66.2059 31.4493 178.0234 101 E 4.0136 8.1990 116.2822 58.4969 29.6052 177.0405 102 N 4.9506 8.4607 115.2265 52.3759 39.1098 175.9689 103 R 4.2933 7.8291 117.5973 56.6121 30.5265 177.9519 104 D 4.4568 8.0300 118.9764 55.3861 39.6426 178.0660 105 L 3.7693 7.3118 121.5694 57.2946 41.9260 177.2884 106 F 5.0759 7.1604 116.2320 56.9534 39.5582 176.8364 107 Q 4.1649 7.9164 121.1193 58.6013 28.6472 177.6232 108 A 4.6766 7.2935 116.8592 51.1298 22.5706 177.5654 109 G 4.2992 8.6502 108.1344 44.5320 0.0000 172.2778 110 L 5.1213 8.7004 118.4294 53.2804 45.1043 176.0632 111 T 5.2720 8.9294 119.4314 62.0785 72.3317 173.0382 112 T 4.8215 8.7599 121.8431 61.6867 71.9798 172.8533 113 I 4.7958 8.7687 127.3652 59.5252 39.8752 174.7481 114 V 4.5233 8.7568 127.4956 60.1403 33.9204 172.9787 115 P 4.5772 0.0000 0.0000 63.2229 32.1730 175.9974 116 I 4.3501 8.7492 125.4770 60.2196 38.5531 174.7711 117 I 5.0659 8.3829 127.7928 59.4479 40.2609 175.5722 118 G 4.1214 9.2620 114.4682 45.4489 0.0000 173.0368 119 G 4.0775 9.6463 110.9667 46.4616 0.0000 174.1267 120 G 3.9429 8.5068 103.6824 45.5563 0.0000 173.8401 121 E 4.6448 7.8513 118.5761 53.7962 32.3698 175.6942 122 R 4.4771 8.5471 122.2051 56.4947 29.5786 175.9811 123 L 4.4910 9.0052 126.6518 54.2685 43.0350 177.5364 124 G 4.0350 6.9884 104.0177 46.3467 0.0000 170.5306 125 T 5.0334 8.1602 115.8192 61.9203 73.2835 172.9546 126 L 4.9189 9.1735 128.9837 53.9998 43.7381 174.9425 127 I 5.0091 8.9932 128.0446 59.6356 39.6752 174.6414 128 L 5.5457 9.0456 127.3994 52.9961 44.7612 175.7462 129 S 5.5707 9.1071 116.2245 56.9705 66.8853 173.1063 130 R 5.0426 9.1443 120.1040 54.3959 34.1943 176.3856 131 L 4.0079 9.3588 124.7917 57.8717 42.2530 178.9122 132 Q 4.4829 7.7040 110.6974 55.6280 31.0221 174.2370 133 D 4.6181 7.8728 118.8223 52.8644 41.8290 176.3486 134 Q 4.1267 8.3688 123.0190 55.8133 29.4474 175.6800 135 F 4.5642 8.7185 120.0482 56.8786 39.9577 176.0043 136 N 4.9870 9.2171 124.6342 51.3449 40.8365 175.3800 137 D 4.4261 8.5113 118.8326 57.5715 40.7254 178.6396 138 D 4.3735 8.2013 119.0513 57.5097 40.8583 178.1843 139 D 4.4815 8.7287 119.5290 57.6107 40.7813 179.0747 140 L 4.0494 8.2119 119.3204 57.6426 41.6074 179.4034 141 I 3.7419 8.0561 120.0659 64.6435 37.0564 178.4956 142 L 4.1088 8.0655 119.3717 57.6717 41.3592 179.3799 143 A 4.0577 8.4645 121.1854 55.3653 18.3399 179.6146 144 E 3.9549 8.6261 117.4132 59.3655 29.6374 178.8717 145 Y 4.1232 8.2636 119.8678 60.7000 38.8544 178.3333 146 G 3.7087 8.6495 106.8059 47.8842 0.0000 175.2875 147 A 4.0705 8.3828 123.7001 55.3341 18.3262 179.9016 148 T 3.8469 8.0014 114.1499 66.6710 68.4852 177.1669 149 V 3.6251 7.8670 119.9685 65.9900 31.5316 178.1720 150 V 3.8342 8.2155 118.3497 65.9798 31.3716 178.1336 151 G 3.6872 8.4242 105.5826 48.0657 0.0000 174.9386 152 M 4.0076 8.2240 121.0858 58.7865 32.1028 178.1801 153 E 4.1031 8.2171 118.0806 58.9510 29.7037 179.1529 154 I 4.0488 8.3781 120.6236 64.4075 37.1493 178.3909 155 L 4.0417 7.9998 119.6987 57.8479 41.2621 179.6188 156 R 3.9136 7.6455 116.4076 59.4259 30.1198 178.4158 157 E 4.0834 8.2367 117.7782 59.0741 29.6882 178.3696 158 K 4.0644 8.0477 117.5707 58.8921 32.5834 178.7411 159 A 4.7607 7.7525 119.4260 52.0909 20.0731 176.3625 160 E 4.1867 8.1443 127.8488 57.4363 29.9525 175.1782 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 0 H 8.30 4.77 0.00 3.20 3.30 0.00 5.66 0.00 0.00 0.00 0.00 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.15 3.86 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.73 0.00 2 A 8.19 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.90 3.89 0.00 1.75 1.77 0.92 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.08 3.94 0.00 1.81 1.85 0.94 0.59 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 5 Q 8.19 3.97 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 6 K 8.18 3.99 0.00 1.92 1.82 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.54 7.81 7 T 8.23 3.54 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 1.31 0.00 0.00 8 R 7.93 3.94 0.00 2.07 1.99 0.00 3.20 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 9 I 7.30 3.68 1.95 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 1.48 0.55 0.86 0.00 0.00 10 I 7.47 3.74 1.27 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.72 0.77 0.00 0.00 11 N 8.34 4.50 0.00 2.77 2.77 0.00 0.00 6.90 7.13 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 12 S 7.82 4.09 0.00 4.06 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 13 M 8.25 4.44 0.00 2.01 1.63 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.55 0.00 14 L 9.03 4.41 0.00 1.86 1.73 1.08 0.91 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 15 Q 7.97 4.39 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 16 A 8.05 4.01 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 17 A 8.68 3.35 1.27 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 0.00 0.00 18 A 8.48 3.82 1.40 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 0.00 0.00 19 G 7.92 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 20 K 7.70 4.06 0.00 1.70 1.69 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.44 7.81 21 P 0.00 4.41 0.00 2.04 1.95 0.00 3.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 22 V 7.83 3.47 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 -0.10 0.00 0.00 0.85 0.00 0.00 23 N 8.06 4.67 0.00 2.65 2.56 0.00 0.00 7.22 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 24 F 8.34 4.34 0.00 3.30 3.06 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 25 K 8.23 3.91 0.00 1.84 1.91 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.36 7.81 26 E 8.55 3.89 0.00 2.06 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 2.28 2.32 0.00 27 M 8.08 4.04 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 28 A 8.31 4.01 1.38 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 29 E 8.30 3.85 0.00 2.16 1.97 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 2.25 2.41 0.00 30 T 8.00 3.83 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 1.19 0.00 0.00 31 L 8.07 4.00 0.00 1.71 1.74 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.17 4.20 0.00 1.91 2.14 0.00 3.09 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 33 D 7.76 4.38 0.00 2.71 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 34 V 7.77 3.72 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 0.80 0.00 0.00 0.92 0.00 0.00 35 I 7.94 4.01 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.79 1.07 0.00 0.00 36 D 8.47 4.37 0.00 2.81 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 37 S 7.15 4.69 0.00 4.06 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 38 N 8.93 4.69 0.00 2.94 2.55 0.00 0.00 7.01 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 39 I 8.45 4.97 1.78 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 1.36 1.35 0.93 0.00 0.00 40 F 9.42 5.31 0.00 3.00 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 41 V 9.17 4.72 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 0.87 0.00 0.00 1.03 0.00 0.00 42 V 8.68 5.03 2.22 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 1.21 0.00 0.00 1.22 0.00 0.00 43 S 9.02 4.67 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 44 R 8.50 3.98 0.00 1.99 2.06 0.00 3.39 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.94 0.00 45 R 8.02 4.26 0.00 1.85 1.93 0.00 3.25 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 46 G 8.40 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 47 K 7.87 4.60 0.00 1.93 1.68 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.47 7.81 48 L 8.32 4.34 0.00 1.57 1.63 1.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.79 4.31 0.00 1.18 0.71 0.31 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.84 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.44 5.34 0.00 2.90 2.99 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 52 S 8.88 4.34 0.00 3.70 3.56 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 53 I 8.32 5.02 1.94 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.88 1.07 0.00 0.00 54 N 9.19 4.86 0.00 2.77 2.85 0.00 0.00 5.98 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 55 Q 8.44 4.32 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 56 Q 8.70 4.18 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 57 I 8.10 4.51 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.87 0.96 0.00 0.00 58 E 8.86 3.96 0.00 1.94 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 2.29 2.30 0.00 59 N 8.33 4.72 0.00 2.75 2.60 0.00 0.00 7.16 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 60 D 8.79 4.28 0.00 2.68 2.66 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 61 R 7.86 3.69 0.00 1.93 2.00 0.00 2.21 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 62 M 8.35 3.75 0.00 1.70 1.92 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 63 K 8.07 3.74 0.00 1.89 1.89 0.00 1.49 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.58 7.81 64 K 8.05 3.77 0.00 1.84 1.76 0.00 1.61 0.00 0.00 1.46 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.36 7.81 65 M 7.56 3.84 0.00 1.55 1.13 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.68 0.00 66 L 7.46 3.68 0.00 1.63 1.47 0.77 0.43 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 67 E 7.97 4.05 0.00 2.00 1.95 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 2.30 2.42 0.00 68 D 8.29 4.44 0.00 2.66 2.64 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 69 R 7.68 3.74 0.00 1.99 1.95 0.00 3.18 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00 70 Q 7.10 4.89 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.62 7.07 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 71 F 9.15 4.38 0.00 3.01 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 72 P 0.00 4.47 0.00 2.36 2.07 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 73 E 9.18 3.92 0.00 2.01 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 0.00 2.38 2.33 0.00 74 E 8.18 3.85 0.00 2.04 1.79 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 2.27 2.27 0.00 75 Y 8.10 3.84 0.00 3.29 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 76 T 8.12 3.87 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 1.27 0.00 0.00 77 K 8.11 3.90 0.00 1.75 1.91 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.43 7.81 78 N 7.81 4.11 0.00 2.02 1.45 0.00 0.00 7.14 7.44 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 79 L 7.92 4.22 0.00 1.85 1.74 0.52 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 80 F 7.99 4.14 0.00 3.10 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 81 N 7.85 4.73 0.00 2.79 2.77 0.00 0.00 6.96 7.37 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 82 V 7.29 3.91 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 0.85 0.00 0.00 1.18 0.00 0.00 83 P 0.00 4.38 0.00 2.15 2.06 0.00 3.80 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 84 E 7.62 4.61 0.00 2.02 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 2.15 2.31 0.00 85 T 8.41 4.09 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 1.17 0.00 0.00 86 S 9.27 4.69 0.00 3.83 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 87 S 8.59 4.82 0.00 3.85 3.73 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 0.00 0.00 0.00 88 N 8.07 4.28 0.00 2.88 2.96 0.00 0.00 6.99 9.17 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 89 L 8.17 4.02 0.00 1.01 0.25 0.47 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.95 5.02 0.00 2.81 2.83 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 91 I 8.58 3.72 1.91 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 1.45 0.61 1.05 0.00 0.00 92 N 8.16 4.77 0.00 2.75 2.88 0.00 0.00 7.08 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 93 S 7.84 4.29 0.00 3.85 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 94 E 8.41 4.29 0.00 2.03 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 2.15 2.18 0.00 *96 T 7.57 4.11 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 1.29 0.00 0.00 97 A 8.34 4.84 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 98 F 7.88 4.57 0.00 3.16 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 99 P 0.00 4.38 0.00 2.17 2.13 0.00 3.56 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.82 0.00 100 V 8.67 3.80 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 0.96 0.00 0.00 101 E 8.20 4.01 0.00 2.12 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 0.00 2.24 2.26 0.00 102 N 8.46 4.95 0.00 2.70 2.47 0.00 0.00 7.09 7.59 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 0.00 103 R 7.83 4.29 0.00 2.09 2.13 0.00 3.23 0.00 0.00 3.35 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 104 D 8.03 4.46 0.00 2.83 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 0.00 105 L 7.31 3.77 0.00 1.39 0.59 0.86 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 106 F 7.16 5.08 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 0.00 107 Q 7.92 4.16 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 108 A 7.29 4.68 1.27 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 0.00 0.00 109 G 8.65 4.30 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 0.00 110 L 8.70 5.12 0.00 1.68 1.79 0.96 0.82 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 0.00 111 T 8.93 5.27 4.41 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 1.36 0.00 0.00 112 T 8.76 4.82 3.29 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 0.94 0.00 0.00 113 I 8.77 4.80 1.90 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 1.19 0.87 0.98 0.00 0.00 114 V 8.76 4.52 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 1.03 0.00 0.00 0.89 0.00 0.00 115 P 0.00 4.58 0.00 1.94 1.93 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.20 0.00 116 I 8.75 4.35 2.01 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 1.28 0.75 1.00 0.00 0.00 117 I 8.38 5.07 1.87 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 1.26 0.60 0.93 0.00 0.00 118 G 9.26 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 119 G 9.65 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 0.00 0.00 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1.68 0.90 0.52 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 0.00 129 S 9.11 5.57 0.00 4.06 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 0.00 130 R 9.14 5.04 0.00 1.61 1.70 0.00 2.21 0.00 0.00 2.73 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 131 L 9.36 4.01 0.00 1.73 1.67 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 132 Q 7.70 4.48 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.61 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 133 D 7.87 4.62 0.00 2.53 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 0.00 134 Q 8.37 4.13 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 135 F 8.72 4.56 0.00 3.04 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 0.00 136 N 9.22 4.99 0.00 2.98 2.99 0.00 0.00 6.57 7.62 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 0.00 137 D 8.51 4.43 0.00 2.78 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 0.00 138 D 8.20 4.37 0.00 3.00 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 0.00 139 D 8.73 4.48 0.00 3.17 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 0.00 140 L 8.21 4.05 0.00 1.89 1.73 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.06 3.74 2.09 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 1.55 0.96 1.02 0.00 0.00 142 L 8.07 4.11 0.00 1.91 1.75 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.46 4.06 1.40 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 0.00 0.00 144 E 8.63 3.95 0.00 2.10 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 0.00 2.33 2.46 0.00 145 Y 8.26 4.12 0.00 3.29 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 0.00 146 G 8.65 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 0.00 0.00 0.00 147 A 8.38 4.07 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 148 T 8.00 3.85 4.45 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 0.00 0.00 0.00 1.23 0.00 0.00 149 V 7.87 3.63 2.29 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 1.03 0.00 0.00 1.12 0.00 0.00 150 V 8.22 3.83 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 1.22 0.00 0.00 1.11 0.00 0.00 151 G 8.42 3.69 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 0.00 152 M 8.22 4.01 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 153 E 8.22 4.10 0.00 2.20 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 2.51 2.45 0.00 154 I 8.38 4.05 2.14 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 1.66 1.23 1.00 0.00 0.00 155 L 8.00 4.04 0.00 1.95 1.75 0.95 0.97 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 0.00 156 R 7.65 3.91 0.00 1.96 1.99 0.00 3.16 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 157 E 8.24 4.08 0.00 2.07 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 0.00 2.41 2.40 0.00 158 K 8.05 4.06 0.00 2.08 1.91 0.00 1.68 0.00 0.00 1.92 0.00 0.00 3.15 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.52 1.56 7.81 159 A 7.75 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.14 4.19 0.00 2.20 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 2.18 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.