NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3450 8.3149 120.1413 55.3899 33.6802 175.5326 2 P 4.3236 0.0000 0.0000 61.8105 32.0659 176.3911 3 G 3.7051 9.0457 111.4566 48.0669 0.0000 175.2864 4 A 3.9946 8.1801 122.3113 55.6447 18.3240 178.6972 5 M 3.9627 7.7055 114.0795 57.7450 31.4882 176.6804 6 Y 4.8171 8.3092 113.7773 57.0029 40.2926 177.2046 7 R 4.3310 7.9370 116.4654 57.8070 29.9278 176.3413 8 N 4.9352 7.3416 116.5693 52.7942 39.6084 175.1256 9 S 4.8093 8.2370 116.4022 58.4634 63.3730 175.5885 10 S 4.3416 8.0121 115.1721 59.6080 63.7619 174.3779 11 K 4.4287 7.6827 119.9770 54.2929 33.2731 174.4040 12 P 4.4520 0.0000 0.0000 62.2633 31.8984 176.2791 13 A 4.3830 8.4002 123.2394 52.5281 18.9945 177.5372 14 Y 4.9064 8.7034 123.1513 55.7251 38.9848 174.9968 15 T 4.5522 8.0069 109.8212 60.2898 70.6065 175.6410 16 R 4.2474 7.6798 122.2593 55.7471 28.7264 177.1264 17 R 3.9417 8.2822 123.0706 58.0879 30.3336 178.7237 18 E 3.9959 7.7497 114.6581 57.8718 29.9004 176.7404 19 Y 4.8792 7.8948 115.3653 57.4081 39.4067 175.1098 20 I 4.6326 7.4529 119.8823 59.3474 40.0965 174.8728 21 S 4.7360 8.4596 118.6629 57.2117 65.8156 173.0521 22 G 3.8079 8.5726 105.9654 46.7680 0.0000 173.7682 23 I 4.0914 7.7717 120.5027 59.1619 37.9132 174.6392 24 P 4.3431 0.0000 0.0000 62.3992 31.8052 176.6097 25 G 3.8031 8.2922 110.1152 44.9770 0.0000 173.3348 26 K 4.1861 8.2770 121.2566 56.0445 32.8062 177.1481 27 K 4.3014 8.7519 122.7832 56.8018 32.6804 177.0509 28 I 4.0284 7.6031 120.7518 61.1658 37.3108 175.7346 29 A 4.1807 9.8307 130.6615 54.8700 18.4454 177.1359 30 Q 4.8137 7.5328 110.9331 54.9344 33.2120 174.1857 31 F 4.5021 8.9771 115.7253 57.2002 42.3600 174.7598 32 D 5.5419 8.4352 118.1080 52.7952 42.8904 175.4910 33 M 4.7932 9.3158 122.7728 53.9780 36.2365 176.4323 34 G 3.2915 8.8114 106.6383 46.5562 0.0000 176.6745 35 N 4.6143 8.5021 114.1775 52.1007 36.9049 175.2404 36 N 4.6451 8.1703 116.8812 53.8014 38.3827 177.5878 37 G 3.6013 8.0406 108.0205 47.9604 0.0000 174.0475 38 A 4.4431 7.5650 121.9441 50.9516 20.0538 176.5642 39 G 4.0959 8.0655 108.1636 43.0092 0.0000 172.0145 40 P 4.2945 0.0000 0.0000 62.6508 29.6294 176.9553 41 T 4.6571 7.8443 114.2014 61.3800 69.5707 174.6111 42 Y 4.7964 7.8906 117.6346 56.7080 41.0273 174.9270 43 P 4.3919 0.0000 0.0000 65.3877 31.8820 176.6419 44 A 5.6748 8.1510 119.7660 49.7992 21.7306 175.8650 45 Q 4.4570 8.5253 121.3664 54.7056 32.0258 173.6764 46 V 4.9403 8.1128 127.1167 61.4587 34.3055 174.3568 47 E 4.9281 10.0278 125.3027 54.4455 34.3194 174.3576 48 L 4.3163 7.7980 125.2836 53.4657 43.7428 175.1218 49 V 4.7097 8.5467 127.8455 61.0303 33.1818 175.1255 50 V 3.9177 8.3933 128.7751 63.0458 32.4350 175.8565 51 E 4.6969 8.4630 125.4009 56.0732 30.1680 176.0936 52 K 4.5445 7.6208 118.0143 54.2224 36.2263 173.7991 53 P 4.6122 0.0000 0.0000 63.0768 31.9861 175.9371 54 V 4.5491 8.8100 116.4153 60.7981 37.1198 172.5650 55 Q 5.0201 8.9597 120.5084 54.3964 31.4182 175.2957 56 I 4.5175 8.6974 124.6554 59.2650 39.9958 175.7518 57 R 4.4753 8.6003 126.8488 55.9614 30.8243 177.6406 58 H 4.2125 8.8937 117.6481 58.4773 28.1348 177.7626 59 N 4.0978 7.9122 119.0894 56.4195 38.4996 176.9010 60 A 4.0131 8.0017 122.0491 54.9101 18.4344 179.5458 61 L 3.8431 7.8222 117.0874 57.9598 41.7159 179.1087 62 E 3.8340 8.1145 118.7577 59.3934 29.6130 178.7820 63 A 4.0132 8.0612 120.5149 54.8999 18.2419 179.5469 64 A 3.9646 8.4677 119.7965 55.2631 18.4840 179.8005 65 R 3.8746 8.6982 117.5180 59.5891 30.1678 178.5589 66 V 3.5835 8.1631 118.1561 66.3018 31.3224 177.8270 67 A 3.7959 7.9284 118.2826 54.5742 18.3555 179.0593 68 A 4.4149 7.5125 120.6873 54.2763 19.0315 179.2472 69 N 4.0044 8.5112 115.9574 56.6396 38.8372 177.0695 70 R 4.0151 8.5316 119.8916 59.2214 30.3008 177.3044 71 Y 4.2858 7.4072 119.7135 59.5931 38.6801 177.3279 72 V 3.2219 7.3790 116.5787 62.4442 31.8705 176.6819 73 Q 4.4836 7.6375 120.2237 55.7727 27.4908 175.1955 74 N 4.7176 7.3084 112.4223 52.9021 40.9611 174.1166 75 S 4.4931 7.5323 111.4254 58.1220 65.2464 174.7976 76 G 4.0361 8.3586 107.3405 44.4169 0.0000 174.2481 77 A 3.9416 8.6720 123.6802 54.4481 18.3322 178.4208 78 A 4.6542 7.6554 116.9005 51.4365 19.6405 176.0181 79 A 4.1975 7.9599 122.7069 54.1142 18.9845 178.9587 80 N 4.7577 8.3081 119.1575 51.8812 37.6947 173.2166 81 Y 4.8880 7.0648 119.6845 55.6482 41.4650 173.1309 82 K 5.0427 8.4590 118.7788 55.1867 36.1898 174.6584 83 F 5.9053 9.3704 126.0014 56.7142 42.3274 174.1603 84 R 5.1769 9.2495 124.4369 54.5960 34.1677 173.9123 85 I 4.5884 8.2383 124.9346 59.3775 38.0345 175.5125 86 R 4.3843 8.5219 126.9592 57.6441 30.0034 176.9981 87 K 4.7290 7.8009 118.8961 55.0108 33.9083 175.5924 88 F 4.7012 8.4220 119.4854 54.8859 42.0178 174.6205 89 P 4.6324 0.0000 0.0000 62.7494 29.3234 175.6390 90 F 4.4472 8.1185 125.3544 60.7728 39.8730 175.8960 91 H 4.4140 8.2968 121.6322 56.0912 30.4820 174.9094 92 V 4.3790 8.5159 127.5731 62.5795 32.2387 175.1391 93 I 4.6898 8.7674 121.3835 59.2999 40.3231 174.9973 94 R 5.2863 8.4720 122.9190 54.1283 33.4687 174.6473 95 E 4.5496 8.2256 119.0336 55.4725 33.1828 174.0788 96 N 5.1017 8.8433 126.5611 52.1815 37.9518 173.8005 97 K 4.4451 7.6904 124.9695 54.4915 31.8931 176.0075 *109 D 4.4865 7.6979 120.6496 54.8862 44.1546 171.7098 110 G 4.1510 8.9555 117.4543 46.4157 0.0000 173.3895 111 M 4.3577 9.1891 120.5699 54.9152 33.3733 176.1950 112 R 3.9163 7.8663 119.7273 57.2970 31.3668 175.9864 113 A 3.8235 8.5375 126.9960 52.8131 15.8831 175.2300 114 P 4.7787 0.0000 0.0000 62.5460 32.5106 176.5112 115 F 3.8547 8.3605 121.9435 58.6563 39.1531 174.6518 116 G 3.9301 8.0310 115.4609 46.2633 0.0000 171.6311 117 K 4.8511 8.4359 118.8796 54.0781 35.2695 174.3046 118 P 4.5771 0.0000 0.0000 63.7693 31.2657 176.3758 119 V 4.3078 8.9290 116.1243 60.4445 33.9508 175.9562 120 G 3.8692 7.0735 106.6756 46.0010 0.0000 171.4444 121 T 5.2236 7.3810 107.3408 60.4028 72.8585 172.5791 122 A 5.0957 9.1538 122.9837 50.8615 23.6204 174.6416 123 A 4.9790 9.1635 121.2859 50.2481 21.6662 176.1671 124 R 4.7838 8.6903 121.7921 55.3020 31.2702 176.0767 125 V 4.4509 8.6673 124.4033 61.3414 34.5483 174.3928 126 H 4.7814 8.9409 124.4003 53.9720 30.1738 174.9041 127 G 3.8460 8.4895 111.1337 47.7442 0.0000 173.5337 128 A 3.9075 9.7763 127.1948 51.5179 18.0093 178.0046 129 N 4.8239 7.9658 113.5935 52.7377 40.4841 173.6936 130 H 5.0927 8.1849 116.6178 54.4011 29.9121 174.5592 131 I 3.8506 8.3873 123.3828 62.3315 39.3009 175.2937 132 F 5.3306 7.5958 118.9967 55.5526 42.9581 174.5416 133 I 4.9596 9.0739 122.2622 59.7874 41.0491 174.1814 134 A 5.4811 9.5075 128.8010 49.9183 22.8403 174.9521 135 W 5.0039 9.0554 119.1401 54.8388 32.4978 175.2045 136 V 4.9241 8.8854 123.8033 60.0353 34.8000 174.7876 137 N 5.0326 8.9417 118.9829 51.7534 40.1093 172.7285 138 P 4.3889 0.0000 0.0000 62.6805 30.6898 176.4923 139 D 4.5562 7.6230 124.2641 52.4556 42.2094 176.6733 140 P 4.4862 0.0000 0.0000 63.0895 29.2161 176.7203 141 N 4.6949 7.8235 118.4143 53.5755 39.7617 176.7087 142 V 3.0685 7.2197 120.9337 64.5107 31.2153 177.9551 143 E 3.8663 7.8036 117.8598 58.9891 29.3802 178.2852 144 E 4.0259 7.8255 118.5032 58.5852 29.5095 178.1249 145 A 3.8031 7.6713 120.5954 54.2447 18.2755 179.0689 146 W 4.7479 7.7923 116.7205 58.7315 29.3505 178.7067 147 R 3.9395 7.5065 118.3836 59.3597 29.7892 178.3382 148 R 4.0714 7.8705 117.0240 58.2633 30.2344 178.7007 149 A 4.0989 7.8387 121.8545 55.1431 18.6364 179.0797 150 K 4.2462 8.0792 111.0078 58.0189 32.4377 177.4301 151 M 4.1955 7.5459 118.7884 57.1493 32.4372 176.8409 152 K 4.6019 7.9561 116.1075 55.8112 32.7201 175.9661 153 V 4.5274 7.4287 111.2482 59.4713 34.8573 175.5253 154 T 3.9881 8.8114 120.6084 66.4326 68.3989 173.1476 155 P 4.4877 0.0000 0.0000 62.6320 32.3749 175.8333 156 T 4.3163 8.1229 115.5021 63.7474 69.7175 173.8084 157 I 5.0595 8.1303 123.5198 59.7033 42.0073 173.8482 158 N 4.9013 8.9334 122.6268 52.0001 41.2188 173.4180 159 I 4.7212 8.4867 127.4938 60.4559 38.0493 174.3997 160 D 5.0030 9.1972 128.1505 52.3423 43.6860 174.5998 161 S 4.8663 8.3845 120.4704 58.3433 63.8495 171.4069 162 S 4.3498 9.5908 123.2251 59.0383 63.6846 173.4946 163 P 4.3751 0.0000 0.0000 63.9513 32.4157 175.4664 164 A 4.7413 8.0773 125.7592 52.2558 19.8906 175.6006 165 G 4.0947 8.3755 109.8111 45.3994 0.0000 172.4618 166 N 4.7135 7.9624 115.9606 51.6321 37.7435 175.1437 167 A 4.2803 7.5967 124.4551 52.3407 19.1273 177.5081 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 K 8.31 4.34 0.00 1.89 1.92 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.54 7.81 2 P 0.00 4.32 0.00 2.26 1.97 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 3 G 9.05 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 4 A 8.18 3.99 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 5 M 7.71 3.96 0.00 1.07 1.97 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.31 0.00 6 Y 8.31 4.82 0.00 3.01 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 7 R 7.94 4.33 0.00 2.00 2.22 0.00 3.12 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 8 N 7.34 4.94 0.00 2.92 2.77 0.00 0.00 6.90 7.45 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 9 S 8.24 4.81 0.00 3.82 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 10 S 8.01 4.34 0.00 3.97 3.98 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 11 K 7.68 4.43 0.00 1.84 1.81 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.45 7.81 12 P 0.00 4.45 0.00 2.12 2.05 0.00 3.70 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 2.06 2.11 0.00 13 A 8.40 4.38 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 14 Y 8.70 4.91 0.00 2.96 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.01 4.55 4.29 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 1.37 0.00 0.00 16 R 7.68 4.25 0.00 2.09 2.15 0.00 3.30 0.00 0.00 3.38 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 17 R 8.28 3.94 0.00 1.79 1.92 0.00 3.11 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 18 E 7.75 4.00 0.00 1.43 1.74 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 1.47 1.47 0.00 19 Y 7.89 4.88 0.00 2.94 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 20 I 7.45 4.63 1.74 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.65 0.86 0.00 0.00 21 S 8.46 4.74 0.00 3.94 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.57 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 23 I 7.77 4.09 1.85 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 1.39 0.58 0.88 0.00 0.00 24 P 0.00 4.34 0.00 2.00 1.99 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 25 G 8.29 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 26 K 8.28 4.19 0.00 1.74 1.77 0.00 1.87 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.60 1.53 7.81 27 K 8.75 4.30 0.00 1.72 1.81 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.47 7.81 28 I 7.60 4.03 1.88 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.22 0.00 0.00 29 A 9.83 4.18 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 30 Q 7.53 4.81 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 31 F 8.98 4.50 0.00 3.07 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 32 D 8.44 5.54 0.00 2.65 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 33 M 9.32 4.79 0.00 2.18 2.36 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.74 0.00 34 G 8.81 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 0.00 0.00 0.00 0.00 35 N 8.50 4.61 0.00 2.76 2.79 0.00 0.00 7.18 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.17 4.65 0.00 2.85 2.99 0.00 0.00 6.32 7.00 0.00 0.00 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 G 8.04 3.60 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 0.00 0.00 0.00 38 A 7.56 4.44 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 39 G 8.07 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 0.00 0.00 0.00 40 P 0.00 4.29 0.00 1.63 0.72 0.00 3.39 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.87 0.00 41 T 7.84 4.66 4.15 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 1.19 0.00 0.00 42 Y 7.89 4.80 0.00 3.15 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 43 P 0.00 4.39 0.00 2.13 2.17 0.00 4.05 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 44 A 8.15 5.67 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 45 Q 8.53 4.46 0.00 2.30 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.00 1.40 0.00 46 V 8.11 4.94 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 1.31 0.00 0.00 0.87 0.00 0.00 47 E 10.03 4.93 0.00 1.66 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 2.04 2.31 0.00 48 L 7.80 4.32 0.00 0.27 0.98 0.79 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.55 4.71 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 1.01 0.00 0.00 0.90 0.00 0.00 50 V 8.39 3.92 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 0.86 0.00 0.00 0.85 0.00 0.00 51 E 8.46 4.70 0.00 2.00 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 2.25 2.34 0.00 52 K 7.62 4.54 0.00 1.67 1.64 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.44 7.81 53 P 0.00 4.61 0.00 1.83 1.69 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.19 0.00 54 V 8.81 4.55 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 0.67 0.00 0.00 0.95 0.00 0.00 55 Q 8.96 5.02 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 56 I 8.70 4.52 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.92 0.86 0.00 0.00 57 R 8.60 4.48 0.00 1.85 1.82 0.00 2.89 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 58 H 8.89 4.21 0.00 3.34 3.50 0.00 5.27 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 7.91 4.10 0.00 2.73 2.83 0.00 0.00 7.04 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 60 A 8.00 4.01 1.37 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 0.00 0.00 61 L 7.82 3.84 0.00 1.76 1.57 0.74 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.11 3.83 0.00 2.04 2.04 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 2.35 2.36 0.00 63 A 8.06 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 64 A 8.47 3.96 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 65 R 8.70 3.87 0.00 2.16 1.99 0.00 3.18 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 66 V 8.16 3.58 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 0.97 0.00 0.00 1.02 0.00 0.00 67 A 7.93 3.80 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 68 A 7.51 4.41 1.55 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 0.00 0.00 69 N 8.51 4.00 0.00 3.00 2.91 0.00 0.00 6.94 7.21 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 70 R 8.53 4.02 0.00 1.88 2.04 0.00 3.33 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 71 Y 7.41 4.29 0.00 3.16 3.02 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 72 V 7.38 3.22 1.57 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 0.31 0.00 0.00 -0.22 0.00 0.00 73 Q 7.64 4.48 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 74 N 7.31 4.72 0.00 1.95 2.33 0.00 0.00 7.12 7.63 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 75 S 7.53 4.49 0.00 3.93 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 76 G 8.36 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 77 A 8.67 3.94 1.31 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 0.00 0.00 78 A 7.66 4.65 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 79 A 7.96 4.20 1.57 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 0.00 0.00 80 N 8.31 4.76 0.00 2.76 2.89 0.00 0.00 6.83 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 81 Y 7.06 4.89 0.00 3.13 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 82 K 8.46 5.04 0.00 1.98 1.93 0.00 1.39 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.06 1.57 7.81 83 F 9.37 5.91 0.00 3.33 3.18 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 84 R 9.25 5.18 0.00 2.03 1.98 0.00 3.39 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.08 0.00 85 I 8.24 4.59 1.67 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.03 0.51 0.00 0.00 86 R 8.52 4.38 0.00 1.98 2.16 0.00 3.19 0.00 0.00 3.44 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 87 K 7.80 4.73 0.00 1.64 1.76 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.31 7.81 88 F 8.42 4.70 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 0.00 0.00 0.00 89 P 0.00 4.63 0.00 2.11 2.05 0.00 3.73 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 1.90 1.97 0.00 90 F 8.12 4.45 0.00 3.17 3.18 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 91 H 8.30 4.41 0.00 3.41 3.38 0.00 5.77 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.52 4.38 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 0.88 0.00 0.00 0.83 0.00 0.00 93 I 8.77 4.69 1.67 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.19 1.00 0.00 0.00 94 R 8.47 5.29 0.00 1.52 1.64 0.00 2.48 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.24 0.00 95 E 8.23 4.55 0.00 2.18 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 2.31 2.34 0.00 96 N 8.84 5.10 0.00 2.90 2.66 0.00 0.00 6.86 6.16 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 97 K 7.69 4.45 0.00 1.90 1.84 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.42 7.81 *109 D 7.70 4.49 0.00 2.70 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 0.00 110 G 8.96 4.15 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 0.00 0.00 0.00 111 M 9.19 4.36 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 112 R 7.87 3.92 0.00 1.78 1.83 0.00 3.38 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 113 A 8.54 3.82 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.78 0.00 2.20 2.29 0.00 3.45 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 115 F 8.36 3.85 0.00 2.97 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 0.00 116 G 8.03 3.93 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 125 V 8.67 4.45 2.04 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 1.02 0.00 0.00 0.88 0.00 0.00 126 H 8.94 4.78 0.00 3.29 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.49 3.85 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 0.00 0.00 0.00 128 A 9.78 3.91 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 0.00 129 N 7.97 4.82 0.00 2.67 2.66 0.00 0.00 6.54 8.31 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 0.00 130 H 8.18 5.09 0.00 3.00 3.18 0.00 5.52 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.39 3.85 1.62 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.94 0.64 0.00 0.00 132 F 7.60 5.33 0.00 2.27 2.30 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 0.00 133 I 9.07 4.96 1.62 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 1.12 1.11 -0.18 0.00 0.00 134 A 9.51 5.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 W 9.06 5.00 0.00 3.04 2.38 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 0.00 136 V 8.89 4.92 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 0.75 0.00 0.00 0.93 0.00 0.00 137 N 8.94 5.03 0.00 2.71 2.86 0.00 0.00 6.95 8.02 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 0.00 138 P 0.00 4.39 0.00 2.05 2.08 0.00 3.75 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 2.06 2.14 0.00 139 D 7.62 4.56 0.00 2.56 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 P 0.00 4.49 0.00 2.02 1.92 0.00 3.68 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 141 N 7.82 4.69 0.00 2.52 2.67 0.00 0.00 6.75 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 0.00 142 V 7.22 3.07 1.45 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 0.46 0.00 0.00 -0.40 0.00 0.00 143 E 7.80 3.87 0.00 1.86 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 2.36 0.00 144 E 7.83 4.03 0.00 2.02 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 0.00 2.16 1.84 0.00 145 A 7.67 3.80 1.10 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 0.00 0.00 146 W 7.79 4.75 0.00 3.46 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 0.00 147 R 7.51 3.94 0.00 1.75 1.99 0.00 3.21 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 148 R 7.87 4.07 0.00 1.93 1.87 0.00 2.77 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 149 A 7.84 4.10 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 0.00 150 K 8.08 4.25 0.00 1.88 1.94 0.00 1.67 0.00 0.00 1.96 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.52 7.81 151 M 7.55 4.20 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 152 K 7.96 4.60 0.00 1.79 1.78 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.37 7.81 153 V 7.43 4.53 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 0.76 0.00 0.00 0.94 0.00 0.00 154 T 8.81 3.99 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 1.21 0.00 0.00 155 P 0.00 4.49 0.00 2.15 2.03 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 156 T 8.12 4.32 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 1.24 0.00 0.00 157 I 8.13 5.06 1.85 0.00 0.00 0.82 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 0.77 0.86 0.00 0.00 158 N 8.93 4.90 0.00 2.90 2.63 0.00 0.00 7.50 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 0.00 159 I 8.49 4.72 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.78 1.16 0.00 0.00 160 D 9.20 5.00 0.00 2.68 2.49 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 0.00 0.00 0.00 0.00 161 S 8.38 4.87 0.00 3.91 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 0.00 162 S 9.59 4.35 0.00 3.91 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 0.00 163 P 0.00 4.38 0.00 2.32 2.12 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 164 A 8.08 4.74 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 0.00 165 G 8.38 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 N 7.96 4.71 0.00 2.74 2.81 0.00 0.00 7.02 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 A 7.60 4.28 1.23 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 * Residues marked with a * may have inaccurate shift predictions.