NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3237 8.3149 122.1431 53.6703 34.3181 175.4292 7 L 4.5478 7.5919 116.1383 52.1776 43.7954 173.8126 8 P 4.5135 0.0000 0.0000 61.5232 32.9803 173.8010 9 P 4.3776 0.0000 0.0000 64.7978 31.6252 176.9420 10 G 3.5783 8.9944 111.1820 44.6998 0.0000 172.7369 11 W 4.7923 7.5979 119.8386 56.2695 29.7832 175.9327 12 E 4.7832 9.4712 123.8805 54.3451 33.5841 174.6912 13 K 4.4820 8.6136 122.7183 55.9530 33.7167 175.2239 14 A 4.5930 8.3734 126.6533 51.0861 23.5137 174.0744 15 M 4.9166 8.2859 118.4064 53.6927 34.4265 175.3577 16 S 4.3190 9.4532 122.1760 58.3248 63.0368 175.1255 17 R 3.9985 8.8348 127.6575 59.4920 30.3754 177.9400 18 S 4.3085 8.2451 113.3995 61.1943 63.0628 175.1881 19 S 4.4495 7.9517 112.2382 57.6600 63.8577 175.4318 20 G 3.9545 8.2290 108.4177 45.3718 0.0000 173.3220 21 R 4.3787 7.6264 120.3763 55.3157 31.6260 175.7565 22 V 4.4225 8.5454 125.5845 63.6085 32.4903 174.2570 23 Y 5.1633 8.8436 124.3272 55.9353 42.3956 172.8828 24 Y 5.2938 9.5117 116.3758 56.2643 41.5127 175.2859 25 F 5.6822 9.5490 118.0471 55.1545 42.4640 172.9832 26 N 4.6101 8.5599 118.8109 51.8102 40.3914 174.4745 27 H 4.6113 8.7429 122.2508 57.1163 28.8616 176.5911 28 I 4.0132 7.8753 120.5317 63.5007 37.6982 176.8411 29 T 4.1619 7.6983 108.0714 60.8335 69.6776 175.0350 30 N 4.0938 8.2084 118.5763 54.0428 37.0449 173.5018 31 A 4.4811 7.4659 120.2292 52.0952 19.6389 177.6726 32 S 5.5584 8.5447 114.5138 57.1979 66.3188 173.0850 33 Q 4.5395 9.3096 119.0035 55.2191 31.6010 175.5107 34 W 4.5783 8.8196 120.4818 59.7524 29.5467 177.3392 35 E 4.3068 8.1843 116.8552 55.3990 29.7127 176.4554 36 R 2.5100 8.1913 123.6350 54.7028 30.5712 174.5074 37 P 3.5819 0.0000 0.0000 63.2180 30.8187 176.1157 38 S 3.7884 7.5204 118.1538 60.2330 62.6646 171.9209 *51 E 4.1993 7.9010 119.3656 54.9686 30.8804 174.3845 52 P 4.4233 0.0000 0.0000 62.5265 31.8236 176.3070 53 A 4.2175 8.7447 123.3544 54.8344 18.6795 177.6422 54 R 5.0745 7.7173 111.9062 54.6155 34.1692 175.4897 55 V 4.3302 7.7770 114.1235 59.3435 36.0509 174.3654 56 R 4.9465 8.2151 122.7884 54.0691 32.4738 174.5698 57 C 5.3224 8.7168 121.8799 58.3687 33.0489 173.1145 58 S 5.6175 8.9002 117.4958 57.6042 65.6560 172.6318 59 H 5.6395 9.3683 115.9163 54.5967 32.7501 171.8506 60 L 4.7034 9.2732 120.9441 53.1819 44.8338 174.5453 61 L 4.9759 8.7334 128.7555 53.3033 44.4969 174.9384 62 V 4.6704 8.8083 126.5600 61.1437 33.6058 175.1272 63 K 4.6982 8.8668 128.0397 56.1524 33.6024 175.5620 64 H 5.0143 8.7537 116.9981 53.7944 31.7834 174.3671 65 S 4.0824 8.9819 114.3788 61.1928 62.4412 175.3289 66 Q 4.4444 8.1357 117.0592 55.5749 29.0902 175.9396 67 S 4.3104 7.8960 117.7426 59.0643 63.4270 175.1965 68 R 4.0457 8.8699 123.2273 58.9236 29.1076 176.3735 69 R 4.5107 7.5342 116.7396 53.5413 31.7249 173.8607 70 P 4.5946 0.0000 0.0000 60.4531 30.2500 176.0156 71 S 4.8008 7.3175 111.5497 58.3169 65.6369 173.1329 72 S 4.6303 8.5880 120.0230 56.7251 65.8181 174.9247 73 W 4.3393 8.7439 116.8278 59.2421 27.7805 177.5140 74 R 3.4148 6.8871 117.7582 58.0595 29.9156 176.7564 75 Q 4.2655 7.6320 118.8994 54.8872 31.6768 174.1359 76 E 3.7698 9.0860 127.3732 58.3461 29.8445 176.3976 77 K 4.3285 7.7612 120.2370 54.3747 33.0463 175.1534 78 I 4.2283 8.5217 129.4354 60.9856 37.0988 176.1196 79 T 4.4217 8.2833 115.4859 61.5441 70.4924 175.3171 80 R 4.1502 7.7780 119.3885 56.2539 30.0503 176.2372 81 T 4.3296 9.0739 111.0860 61.2391 70.9653 175.4085 82 K 3.6030 8.6215 122.9024 59.9670 31.9861 178.5454 83 E 3.9527 8.0655 118.7469 59.4114 29.6750 178.5406 84 E 3.9554 8.3824 118.4457 59.0678 29.3733 179.1115 85 A 3.9350 8.3258 121.3582 55.1288 18.3988 179.4320 86 L 3.8409 7.9991 118.7756 58.2418 42.1671 178.8928 87 E 3.8889 8.1367 118.5622 59.3617 29.4003 179.3804 88 L 3.5066 7.6861 118.7282 57.6670 41.6271 179.4660 89 I 3.7240 7.7109 119.7994 64.6497 37.0997 178.1768 90 N 4.3894 8.4365 117.5707 56.2057 38.3584 177.5879 91 G 3.5218 7.9169 106.9945 48.1244 0.0000 175.3716 92 Y 4.4230 7.5605 119.3477 60.7555 37.7924 178.4669 93 I 3.8062 8.1106 120.9313 64.5668 37.2171 178.4121 94 Q 4.0383 8.2118 118.7241 59.1291 28.6687 179.2593 95 K 4.0896 8.2989 119.3543 59.3390 31.8921 179.6596 96 I 4.4543 8.0958 121.8556 63.9474 36.8718 178.6433 97 K 4.1127 8.3250 118.9163 59.3005 31.9708 179.2476 98 S 4.3681 8.2375 113.4898 59.4021 63.2388 175.4823 99 G 3.9902 7.7388 110.2380 45.1330 0.0000 173.8716 100 E 4.1216 7.9131 120.2979 58.6094 30.1683 176.9254 101 E 4.7933 8.2499 116.4883 53.6992 33.9019 174.4377 102 D 5.0890 8.3541 121.5425 52.0794 42.5132 177.2153 103 F 3.9901 8.8425 122.4454 61.9626 39.3115 177.3953 104 E 4.0048 8.3700 117.3668 59.3728 29.3998 179.2305 105 S 4.0267 8.1300 112.7844 61.3292 62.4769 176.2350 106 L 3.8719 7.7582 121.3632 57.5152 41.2812 179.3724 107 A 3.7129 7.8172 121.0823 55.1131 17.8004 179.8448 108 S 4.2122 7.9434 113.6534 61.8412 62.6420 176.9049 109 Q 3.8750 7.4347 119.2343 57.5158 28.5834 176.7944 110 F 4.9755 7.7135 114.7839 56.7082 41.0693 175.4059 111 S 4.3967 7.9686 116.3866 58.5164 62.5482 173.1336 112 D 4.5525 9.1728 127.2760 54.3609 40.8281 175.6223 113 C 4.9154 7.7068 119.7823 57.5498 33.8186 174.8965 114 S 4.2367 8.6983 121.0916 61.2080 62.3514 176.7110 115 S 4.2663 8.2188 116.1470 60.2437 62.6516 175.6618 116 A 4.0454 8.1477 125.3797 55.6390 17.8384 179.5482 117 K 3.8892 7.7203 114.7862 57.8844 32.4010 178.0981 118 A 4.6967 7.6382 121.3876 51.5089 20.3344 176.5465 119 R 3.7479 8.1581 116.2865 57.9361 28.4927 178.2302 120 G 4.1812 8.3906 105.6469 46.3716 0.0000 173.8344 121 D 4.9144 7.8351 119.6038 53.9317 41.4607 175.8084 122 L 4.4091 8.8899 125.9039 53.9228 42.5751 178.0022 123 G 3.8378 8.5205 108.7105 44.6342 0.0000 172.2343 124 A 4.8947 8.3014 119.8322 51.1207 20.7635 176.9822 125 F 5.2037 8.5545 113.9648 56.0475 41.7621 173.2396 126 S 5.5710 9.6293 115.1461 55.4499 65.7568 173.9726 127 R 4.0512 8.2959 118.9896 57.8683 30.1003 177.3990 128 G 4.0184 9.4270 109.9336 45.5972 0.0000 173.6356 129 Q 4.4375 8.1486 117.5500 56.8916 30.7856 175.7971 130 M 4.4396 7.6657 114.6339 53.0694 34.4738 176.0959 131 Q 4.0264 8.3312 118.5280 56.4725 30.3436 178.1416 132 K 3.9444 8.7580 124.8691 59.4765 32.3605 177.3318 133 P 4.2968 0.0000 0.0000 65.3435 31.1484 178.3901 134 F 3.9435 8.2185 119.0966 61.2075 39.3384 176.5508 135 E 4.3428 8.5771 118.9542 59.6510 29.5412 178.5182 136 D 4.4205 8.5653 118.9065 57.3676 41.0127 178.6412 137 A 3.9540 8.0602 121.2401 55.1709 18.1298 179.7800 138 S 3.9180 7.9735 112.7625 61.8870 63.1074 176.7868 139 F 4.1053 8.5452 117.9630 59.2279 38.8101 176.8785 140 A 4.3318 7.5891 118.9655 52.5301 19.2024 177.7485 141 L 4.2850 7.0728 116.7899 54.8245 42.4367 177.0071 142 R 4.4859 9.2577 121.1453 54.5181 31.8798 176.2664 143 T 3.8875 8.1560 116.1336 65.6407 68.6421 174.8445 144 G 3.9692 9.1579 115.4739 45.0654 0.0000 173.4669 145 E 4.4493 8.1111 119.3411 55.9445 31.1963 175.2100 146 M 5.1708 8.4022 121.5234 53.7074 34.9046 175.5097 147 S 4.3945 9.0112 120.8681 57.9936 64.6310 174.2803 148 G 4.2464 8.0473 108.1628 44.6829 0.0000 171.1949 149 P 4.5898 0.0000 0.0000 62.7098 32.1990 176.1963 150 V 4.4872 8.6804 124.6987 61.1284 34.1052 173.9948 151 F 5.2980 9.2117 126.8734 56.3580 40.7097 175.1999 152 T 4.8862 8.9759 112.5903 59.6394 72.2131 174.4361 153 D 4.5465 8.7641 120.0007 57.0706 40.8925 179.0904 154 S 4.5191 8.1562 114.8439 59.2056 63.9883 175.2722 155 G 3.7478 6.4483 108.1136 45.3923 0.0000 171.0125 156 I 4.7378 8.2151 123.6814 59.7474 40.1742 174.7525 157 H 5.5551 9.4554 123.4902 54.1401 32.3550 172.8316 158 I 4.7978 8.7320 122.4333 59.7859 39.6577 174.5915 159 I 4.9125 8.8405 127.8290 59.3475 40.0917 174.1390 160 L 4.7674 8.7013 129.4698 53.0671 44.2953 174.9537 161 R 4.5475 8.7190 128.1914 56.0978 30.5095 176.5306 162 T 4.5540 8.9020 117.1035 62.4407 70.9083 174.7712 163 E 4.1501 7.6538 126.1004 56.5680 30.7034 174.6799 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 6 K 8.31 4.32 0.00 1.79 1.80 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 7 L 7.59 4.55 0.00 1.78 1.68 1.17 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.51 0.00 2.49 2.07 0.00 3.46 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 2.00 2.05 0.00 9 P 0.00 4.38 0.00 2.06 2.03 0.00 3.77 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 2.07 2.14 0.00 10 G 8.99 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 W 7.60 4.79 0.00 3.34 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 12 E 9.47 4.78 0.00 1.16 1.65 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 1.90 2.18 0.00 13 K 8.61 4.48 0.00 1.69 1.62 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.16 0.86 7.81 14 A 8.37 4.59 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 M 8.29 4.92 0.00 2.05 1.98 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 2.57 2.61 0.00 16 S 9.45 4.32 0.00 4.32 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.83 4.00 0.00 1.83 1.95 0.00 3.28 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 18 S 8.25 4.31 0.00 3.98 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 19 S 7.95 4.45 0.00 3.87 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 20 G 8.23 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 21 R 7.63 4.38 0.00 1.82 1.87 0.00 2.97 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 22 V 8.55 4.42 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 0.62 0.00 0.00 0.95 0.00 0.00 23 Y 8.84 5.16 0.00 3.02 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 24 Y 9.51 5.29 0.00 3.03 3.07 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 25 F 9.55 5.68 0.00 3.34 3.32 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 26 N 8.56 4.61 0.00 1.44 1.74 0.00 0.00 7.28 7.86 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 27 H 8.74 4.61 0.00 3.18 3.50 0.00 5.80 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.88 4.01 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.30 0.92 0.00 0.00 29 T 7.70 4.16 4.13 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 0.00 0.00 0.00 1.10 0.00 0.00 30 N 8.21 4.09 0.00 3.14 2.99 0.00 0.00 6.75 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 31 A 7.47 4.48 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 32 S 8.54 5.56 0.00 3.96 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 33 Q 9.31 4.54 0.00 2.42 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 34 W 8.82 4.58 0.00 3.43 3.36 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 35 E 8.18 4.31 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 2.35 2.44 0.00 36 R 8.19 2.51 0.00 1.32 1.52 0.00 3.14 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.78 0.00 37 P 0.00 3.58 0.00 1.13 0.49 0.00 2.59 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.79 0.00 38 S 7.52 3.79 0.00 3.65 3.65 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 *51 E 7.90 4.20 0.00 1.98 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 2.34 2.49 0.00 52 P 0.00 4.42 0.00 2.44 2.05 0.00 3.94 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 53 A 8.74 4.22 1.36 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 54 R 7.72 5.07 0.00 1.62 1.70 0.00 3.19 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 55 V 7.78 4.33 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 -0.14 0.00 0.00 -0.50 0.00 0.00 56 R 8.22 4.95 0.00 1.77 1.66 0.00 3.26 0.00 0.00 3.25 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.43 0.00 57 C 8.72 5.32 0.00 3.26 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.90 5.62 0.00 3.71 4.11 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 59 H 9.37 5.64 0.00 3.72 3.81 0.00 5.22 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.27 4.70 0.00 1.34 1.51 0.49 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.73 4.98 0.00 1.72 1.44 0.70 0.63 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 62 V 8.81 4.67 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 1.00 0.00 0.00 1.11 0.00 0.00 63 K 8.87 4.70 0.00 1.77 1.65 0.00 1.75 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.33 7.81 64 H 8.75 5.01 0.00 3.40 3.39 0.00 5.48 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.98 4.08 0.00 3.97 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 0.00 66 Q 8.14 4.44 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 67 S 7.90 4.31 0.00 3.84 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 68 R 8.87 4.05 0.00 1.77 1.87 0.00 3.21 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 69 R 7.53 4.51 0.00 1.72 1.86 0.00 3.17 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 70 P 0.00 4.59 0.00 2.20 2.20 0.00 3.72 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 2.06 1.94 0.00 71 S 7.32 4.80 0.00 3.79 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 72 S 8.59 4.63 0.00 3.98 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 73 W 8.74 4.34 0.00 3.53 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 74 R 6.89 3.41 0.00 1.31 1.49 0.00 2.86 0.00 0.00 2.91 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.63 4.27 0.00 1.85 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 76 E 9.09 3.77 0.00 1.96 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 2.29 2.30 0.00 77 K 7.76 4.33 0.00 1.71 1.67 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.40 7.81 78 I 8.52 4.23 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.93 0.88 0.00 0.00 79 T 8.28 4.42 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 1.25 0.00 0.00 80 R 7.78 4.15 0.00 2.11 2.09 0.00 3.09 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 81 T 9.07 4.33 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 1.23 0.00 0.00 82 K 8.62 3.60 0.00 1.54 1.79 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.56 7.81 83 E 8.07 3.95 0.00 2.07 1.91 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 2.52 2.39 0.00 84 E 8.38 3.96 0.00 2.19 1.94 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 2.29 2.30 0.00 85 A 8.33 3.94 1.41 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 0.00 0.00 86 L 8.00 3.84 0.00 1.88 1.88 0.99 0.95 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 87 E 8.14 3.89 0.00 2.17 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 2.28 2.45 0.00 88 L 7.69 3.51 0.00 1.73 1.34 0.84 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.71 3.72 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.78 0.90 0.00 0.00 90 N 8.44 4.39 0.00 2.79 2.83 0.00 0.00 6.96 7.34 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 91 G 7.92 3.52 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 0.00 0.00 0.00 92 Y 7.56 4.42 0.00 3.19 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 93 I 8.11 3.81 2.05 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 1.62 0.93 0.97 0.00 0.00 94 Q 8.21 4.04 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 95 K 8.30 4.09 0.00 2.05 1.95 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.68 7.81 96 I 8.10 4.45 2.13 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.57 1.06 0.00 0.00 97 K 8.33 4.11 0.00 1.82 1.93 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.66 7.81 98 S 8.24 4.37 0.00 4.07 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 99 G 7.74 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 E 7.91 4.12 0.00 2.00 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 0.00 2.37 2.33 0.00 101 E 8.25 4.79 0.00 2.08 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 2.29 2.47 0.00 102 D 8.35 5.09 0.00 2.98 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.84 3.99 0.00 3.24 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.37 4.00 0.00 2.15 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 2.49 2.63 0.00 105 S 8.13 4.03 0.00 3.87 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.76 3.87 0.00 1.50 1.37 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.82 3.71 0.94 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 0.00 0.00 108 S 7.94 4.21 0.00 3.90 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 0.00 109 Q 7.43 3.88 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 110 F 7.71 4.98 0.00 2.66 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.97 4.40 0.00 3.82 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 0.00 112 D 9.17 4.55 0.00 2.74 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 0.00 113 C 7.71 4.92 0.00 3.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.70 4.24 0.00 3.93 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 0.00 115 S 8.22 4.27 0.00 4.27 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.15 4.05 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 0.00 117 K 7.72 3.89 0.00 1.58 1.68 0.00 1.23 0.00 0.00 1.14 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.25 7.81 118 A 7.64 4.70 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 0.00 119 R 8.16 3.75 0.00 2.04 2.08 0.00 3.17 0.00 0.00 3.08 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 120 G 8.39 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 7.84 4.91 0.00 2.72 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 0.00 122 L 8.89 4.41 0.00 1.96 1.71 0.76 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.52 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.30 4.89 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.55 5.20 0.00 3.20 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 9.63 5.57 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.30 4.05 0.00 1.60 1.74 0.00 2.85 0.00 0.00 3.10 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.50 0.00 128 G 9.43 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 0.00 0.00 0.00 129 Q 8.15 4.44 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 130 M 7.67 4.44 0.00 1.78 2.02 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.99 0.00 131 Q 8.33 4.03 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 132 K 8.76 3.94 0.00 1.90 1.86 0.00 1.65 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.64 7.81 133 P 0.00 4.30 0.00 2.39 2.18 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 134 F 8.22 3.94 0.00 3.03 3.12 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 0.00 135 E 8.58 4.34 0.00 2.32 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 2.49 2.72 0.00 136 D 8.57 4.42 0.00 2.84 2.73 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 0.00 137 A 8.06 3.95 1.28 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 0.00 138 S 7.97 3.92 0.00 4.18 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.55 4.11 0.00 3.11 3.13 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 0.00 0.00 0.00 0.00 140 A 7.59 4.33 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 0.00 141 L 7.07 4.29 0.00 1.73 1.57 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 142 R 9.26 4.49 0.00 1.99 1.83 0.00 3.25 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 143 T 8.16 3.89 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 1.17 0.00 0.00 144 G 9.16 3.97 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 0.00 0.00 0.00 145 E 8.11 4.45 0.00 2.03 1.93 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 2.35 2.36 0.00 146 M 8.40 5.17 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 147 S 9.01 4.39 0.00 4.04 3.79 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 0.00 148 G 8.05 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 0.00 0.00 0.00 0.00 149 P 0.00 4.59 0.00 1.97 1.83 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 150 V 8.68 4.49 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 0.92 0.00 0.00 0.95 0.00 0.00 151 F 9.21 5.30 0.00 2.96 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 0.00 152 T 8.98 4.89 4.50 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 0.00 0.00 0.00 1.35 0.00 0.00 153 D 8.76 4.55 0.00 2.91 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 0.00 154 S 8.16 4.52 0.00 3.94 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 G 6.45 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.22 4.74 1.71 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 0.78 0.65 0.31 0.00 0.00 157 H 9.46 5.56 0.00 3.12 3.46 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.73 4.80 2.15 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.86 1.16 0.00 0.00 159 I 8.84 4.91 1.70 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.60 0.66 0.00 0.00 160 L 8.70 4.77 0.00 0.57 0.64 0.77 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.72 4.55 0.00 1.80 1.83 0.00 3.06 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 162 T 8.90 4.55 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 1.14 0.00 0.00 163 E 7.65 4.15 0.00 1.90 1.72 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 2.25 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.