NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4269 8.4045 118.7933 53.8202 32.7373 175.9198 2 L 4.0851 8.6003 124.7074 53.7720 41.6985 172.0490 3 T 4.3702 8.7972 111.1056 62.8408 71.5983 175.6399 4 D 4.8286 7.8117 125.3803 50.5659 41.6034 176.5884 5 P 4.4056 0.0000 0.0000 67.9629 30.9488 175.8772 6 I 4.0045 7.9834 119.6127 64.1487 35.4709 179.6884 7 A 4.2485 7.9418 123.6284 55.8113 18.4959 179.8162 8 D 4.3920 8.0952 121.7608 59.6144 39.9238 181.2380 9 M 4.2631 8.6353 124.6380 60.2272 31.2844 180.8201 10 L 4.2159 8.1141 125.1914 60.5176 40.9355 182.0893 11 T 4.1232 8.1581 117.4316 66.7589 68.6102 179.1135 12 R 4.1939 8.5641 126.5896 61.9633 29.1173 181.2350 13 I 4.2484 7.9095 121.0320 65.6596 35.4635 182.6951 14 R 4.2023 8.0529 124.0892 62.1253 29.5327 181.0928 15 N 4.6674 8.5758 119.4579 57.2556 37.8016 179.0350 16 A 4.2472 7.6202 125.3365 56.3162 18.3544 180.6989 17 T 3.9864 8.3229 115.1771 66.6581 68.3370 179.3704 18 R 4.3172 8.1578 124.1898 60.9270 29.4035 180.9916 19 V 4.4007 7.5793 113.8039 61.1821 32.6693 180.9500 *20 Y 3.5475 8.2829 119.1516 59.0276 34.6486 175.7512 21 K 4.1880 7.8002 123.6011 56.3608 32.3230 180.5952 22 E 4.3343 8.8752 119.7775 60.5828 30.8511 178.5038 23 S 4.8157 7.5249 114.8579 59.4011 65.6455 180.1333 24 T 4.8168 8.9229 118.4361 60.2669 72.7639 173.6122 25 E 4.9504 8.8298 122.4604 56.3262 31.9644 177.3384 26 V 4.6075 9.0062 123.3769 59.1918 36.6319 172.8123 27 P 4.6233 0.0000 0.0000 63.3236 30.7853 175.5780 28 A 4.4102 8.7785 128.2815 51.1143 20.0035 177.6743 29 S 4.8808 8.7709 119.4496 57.5645 64.7055 179.7712 30 R 3.7877 8.2951 127.0502 62.2036 29.4304 177.5914 *31 F 3.9185 8.3645 119.5429 62.9134 38.1054 180.2838 32 K 4.1104 8.2228 124.0158 60.9252 31.5473 181.5851 33 E 4.3400 8.6204 120.9297 61.3091 29.3771 180.9841 34 E 4.5299 9.1367 120.8251 61.1641 29.5879 183.0973 35 I 4.1626 7.6726 121.3405 65.7660 35.6813 182.6584 36 L 4.5073 8.5870 125.5930 59.2253 40.8022 182.7489 37 K 4.2812 7.7443 123.6504 60.8376 31.3844 185.0000 38 I 4.0100 7.5785 121.2848 65.9457 35.7408 182.0287 39 L 4.1455 8.0618 123.8148 59.1542 40.0645 181.0111 40 A 4.5943 8.0750 123.4589 55.2968 18.4694 180.5251 41 R 4.0720 8.0437 120.2241 61.2122 29.6057 180.3061 42 E 4.6466 8.3597 114.7766 58.2469 29.5191 181.8334 43 G 4.1601 7.9635 109.6371 46.8450 0.0000 176.2789 *44 F 4.1887 7.8744 119.6380 59.4338 38.5900 181.8681 45 I 4.6117 7.5700 119.7597 59.3301 39.4034 181.3672 46 K 3.9629 8.9196 127.7761 54.9667 31.6028 173.9815 47 G 4.2363 6.5019 109.8914 45.6663 0.0000 170.7846 *48 Y 5.7476 7.6826 121.0809 55.4825 41.4255 173.4867 49 E 4.7210 8.5971 119.0011 56.0164 34.3439 176.4038 50 R 4.0420 8.9899 127.4070 57.7501 29.9444 173.8418 51 V 4.6891 8.8117 123.7522 59.5585 36.7064 171.6138 52 E 5.0414 8.8153 119.5780 56.4003 33.3087 178.1567 53 V 4.1115 8.3894 122.3634 61.2837 34.5704 176.0450 54 D 4.7607 8.8412 124.1548 51.4587 38.2370 170.8871 55 G 3.8972 7.2262 106.1595 46.6060 0.0000 174.7577 56 K 4.5679 8.0199 124.6499 52.3561 33.9404 180.0998 57 P 4.7296 0.0000 0.0000 63.6469 31.7322 174.0692 *58 Y 4.8816 8.7161 123.5088 56.8982 42.2596 173.9654 59 L 5.0544 9.7655 123.9472 54.6690 44.6938 176.9116 60 R 4.8304 8.4415 126.5890 55.6763 30.9684 173.1704 61 I 4.7197 9.6181 129.1427 58.8417 37.6368 171.9709 *62 H 5.0657 9.7645 131.7254 53.6729 28.3890 172.3448 63 L 4.4248 8.3287 129.3644 54.5585 41.7397 174.2504 64 K 4.7321 8.6319 124.1281 54.3013 34.9862 177.1622 *65 Y 4.7314 8.5832 123.0494 55.8307 38.4581 172.6456 66 G 4.1121 8.4544 108.9280 47.4433 0.0000 170.1633 67 P 4.9797 0.0000 0.0000 61.9862 33.1379 173.0185 68 R 4.4932 8.6324 121.9887 58.5367 30.2497 177.5886 69 R 4.6911 8.7117 123.2487 56.2216 32.5225 177.1383 70 Q 4.3269 8.5587 115.4251 56.0028 29.6729 175.2274 71 G 3.8671 8.5937 108.8814 45.2972 0.0000 172.0764 72 P 4.3113 0.0000 0.0000 63.0551 31.1715 172.5396 73 D 4.3435 8.5392 115.1190 55.7020 36.0803 172.8229 74 P 4.6434 0.0000 0.0000 62.3879 31.5931 177.3281 75 R 4.4336 7.9293 120.7658 58.2736 29.8495 180.4230 76 P 5.0525 0.0000 0.0000 62.3872 31.5192 176.4096 77 E 4.2338 8.9849 123.9313 57.3153 30.5287 175.4096 78 Q 4.6095 8.5698 120.2341 56.3558 29.7628 176.4413 79 V 3.9292 8.6138 120.6820 63.3023 31.5443 178.4041 80 I 4.3514 7.3452 123.2934 58.3539 34.1075 178.4270 81 K 4.3583 8.2020 129.9711 57.7318 32.4716 178.3809 *82 H 4.9827 7.9017 118.2852 54.9307 32.7483 178.1555 83 I 4.7636 8.4701 125.5184 59.9265 37.6042 172.8525 84 R 4.6923 8.8669 131.3333 55.1330 32.8269 173.1918 85 R 4.4881 8.5416 119.7790 57.3701 31.2151 175.3100 86 I 4.1765 8.2834 122.8425 61.6196 37.4885 176.2887 87 S 4.4791 8.0004 123.7828 57.7136 60.2936 177.0235 88 R 4.3161 7.8487 127.7103 55.0787 30.5190 175.5777 89 P 4.4614 0.0000 0.0000 64.0411 31.7510 175.3235 90 G 3.9566 8.6175 110.4770 46.1058 0.0000 174.7104 91 R 5.1361 8.3011 124.1205 57.2756 32.1767 176.8154 92 R 3.6450 7.1832 118.4662 55.3906 28.6764 181.4328 93 V 4.3824 8.5369 127.0942 59.6560 32.9054 170.5625 *94 Y 4.8588 8.3625 129.0720 55.7641 39.0781 174.3060 95 V 4.4631 7.9782 120.9505 58.7329 35.7684 175.9050 96 G 3.8096 8.5188 113.6003 46.2127 0.0000 173.8572 97 V 3.8840 8.5297 117.1895 63.7184 32.2032 174.5368 98 K 4.3881 8.1266 121.0186 55.9380 31.7523 179.5978 99 E 4.6104 7.8216 114.9497 56.8933 31.1351 182.2717 100 I 3.8599 7.3048 118.4031 61.0851 36.0053 180.2993 101 P 4.6603 0.0000 0.0000 62.2203 31.5945 177.1330 102 R 4.1703 8.6687 118.4347 57.6055 30.2788 178.4053 103 V 2.9328 8.4477 115.8150 63.9682 30.4367 177.7814 104 R 3.5475 9.4682 126.1554 59.5341 26.9841 173.7866 105 R 3.7104 8.8366 116.6528 58.0043 26.4416 178.8626 106 G 3.9662 8.6408 108.5781 46.7093 0.0000 173.8688 107 L 4.2480 8.7399 120.5584 55.4068 41.3473 181.9297 108 G 4.2471 7.7724 106.0114 45.0575 0.0000 172.6471 109 I 4.4278 7.6851 119.0103 60.1777 38.9614 175.5039 110 A 4.7628 8.1862 119.1570 54.3507 20.9121 175.8295 111 I 4.1345 8.3393 123.5383 62.2723 36.9232 174.8113 112 L 4.7870 9.2909 132.9200 53.2677 43.8109 173.3395 113 S 4.8982 8.4854 116.4197 59.4347 62.2217 172.7488 114 T 4.4061 8.3032 122.0897 59.9533 70.4264 175.9463 115 P 4.3555 0.0000 0.0000 64.4156 31.2243 178.3175 116 K 4.6053 8.4365 118.8892 54.6822 32.0721 180.5921 117 G 3.7718 8.1371 112.5365 45.8083 0.0000 172.4086 118 V 4.5368 8.1874 120.3141 60.7933 32.7648 171.9883 119 L 4.9361 8.2254 130.7171 53.0332 45.1460 172.4607 120 T 4.9937 7.7159 110.7779 62.8070 71.9602 173.5490 121 D 4.2854 8.6323 125.5527 56.1351 41.3721 180.3446 122 R 4.1005 8.7320 123.7375 60.7949 28.8284 181.2367 123 E 3.8446 8.6758 115.8532 60.9575 31.2089 180.4905 124 A 4.1099 8.5028 123.8038 56.0578 18.5153 180.8132 125 R 3.9500 8.6460 121.4411 62.0637 29.3739 181.5257 126 K 4.1650 8.1231 125.6129 60.4830 31.7253 181.0924 127 L 4.3899 8.6633 123.2512 56.7028 42.0447 178.2489 128 G 3.7897 9.2929 106.4507 46.2401 0.0000 172.9814 129 V 4.5602 7.7734 115.3749 60.4213 36.7343 176.4121 130 G 4.2193 8.5078 105.9141 45.4281 0.0000 171.5475 131 G 4.0799 8.2450 106.8262 46.2007 0.0000 172.3927 132 E 4.0946 8.4021 118.9039 58.0930 30.7142 173.9194 133 L 4.7844 9.0881 130.6540 53.4616 39.6251 174.6633 134 I 3.7683 8.3265 128.0471 63.9117 36.5293 175.0550 135 C 4.8230 7.9460 122.0615 58.4718 33.0756 174.6059 136 E 4.8487 8.7466 115.8286 57.8725 33.5123 171.3755 137 V 4.9319 8.3110 126.6723 59.1317 35.7108 173.0455 *138 W 4.3904 8.9506 126.8943 56.8003 29.1320 172.4451 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.40 4.43 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 L 8.60 4.09 0.00 1.74 1.50 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.80 4.37 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 4 D 7.81 4.83 0.00 2.54 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 5 P 0.00 4.41 0.00 2.16 2.02 0.00 3.72 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 1.95 1.68 0.00 6 I 7.98 4.00 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.54 0.91 0.00 0.00 7 A 7.94 4.25 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 8 D 8.10 4.39 0.00 2.66 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 9 M 8.64 4.26 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 10 L 8.11 4.22 0.00 1.64 1.75 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.16 4.12 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 12 R 8.56 4.19 0.00 1.76 2.00 0.00 3.23 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 13 I 7.91 4.25 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.55 0.91 0.00 0.00 14 R 8.05 4.20 0.00 1.90 1.86 0.00 3.24 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 15 N 8.58 4.67 0.00 2.72 2.86 0.00 0.00 7.01 6.73 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 16 A 7.62 4.25 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.32 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 18 R 8.16 4.32 0.00 1.91 1.88 0.00 3.19 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 19 V 7.58 4.40 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 0.90 0.00 0.00 0.93 0.00 0.00 *20 Y 8.28 3.55 0.00 2.47 2.27 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 21 K 7.80 4.19 0.00 1.80 1.64 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.27 7.81 22 E 8.88 4.33 0.00 1.65 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 2.31 1.88 0.00 23 S 7.52 4.82 0.00 3.32 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 24 T 8.92 4.82 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 25 E 8.83 4.95 0.00 1.73 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 2.15 1.86 0.00 26 V 9.01 4.61 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 0.61 0.00 0.00 0.93 0.00 0.00 27 P 0.00 4.62 0.00 1.84 1.92 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 28 A 8.78 4.41 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 29 S 8.77 4.88 0.00 3.68 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 30 R 8.30 3.79 0.00 1.90 1.79 0.00 3.28 0.00 0.00 3.26 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.32 0.00 *31 F 8.36 3.92 0.00 2.27 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 0.00 0.00 0.00 32 K 8.22 4.11 0.00 1.75 1.89 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.11 7.81 33 E 8.62 4.34 0.00 2.01 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 2.26 2.20 0.00 34 E 9.14 4.53 0.00 1.91 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 2.22 2.18 0.00 35 I 7.67 4.16 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.54 0.91 0.00 0.00 36 L 8.59 4.51 0.00 1.62 1.70 0.92 0.55 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 37 K 7.74 4.28 0.00 1.80 1.86 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.33 7.81 38 I 7.58 4.01 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.91 0.00 0.00 39 L 8.06 4.15 0.00 1.64 1.73 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.08 4.59 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.04 4.07 0.00 1.95 1.86 0.00 3.26 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 42 E 8.36 4.65 0.00 2.04 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 2.20 2.18 0.00 43 G 7.96 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *44 F 7.87 4.19 0.00 2.35 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 0.00 0.00 0.00 0.00 45 I 7.57 4.61 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.46 0.91 0.00 0.00 46 K 8.92 3.96 0.00 1.76 1.80 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.05 7.81 47 G 6.50 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 0.00 0.00 0.00 0.00 *48 Y 7.68 5.75 0.00 2.05 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 0.00 0.00 0.00 49 E 8.60 4.72 0.00 1.60 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 2.21 1.88 0.00 50 R 8.99 4.04 0.00 1.59 1.79 0.00 3.18 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 51 V 8.81 4.69 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 0.65 0.00 0.00 0.93 0.00 0.00 52 E 8.82 5.04 0.00 1.70 1.70 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 2.11 1.84 0.00 53 V 8.39 4.11 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 0.61 0.00 0.00 0.93 0.00 0.00 54 D 8.84 4.76 0.00 2.88 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 55 G 7.23 3.90 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 0.00 0.00 0.00 56 K 8.02 4.57 0.00 1.67 1.67 0.00 1.80 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.35 0.97 7.81 57 P 0.00 4.73 0.00 1.85 1.87 0.00 3.73 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 1.94 1.60 0.00 *58 Y 8.72 4.88 0.00 1.98 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 0.00 0.00 0.00 0.00 59 L 9.77 5.05 0.00 1.15 1.52 0.92 1.05 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 60 R 8.44 4.83 0.00 1.61 1.85 0.00 3.21 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 61 I 9.62 4.72 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.62 0.91 0.00 0.00 *62 H 9.76 5.07 0.00 2.52 3.01 0.00 7.17 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.33 4.42 0.00 1.40 1.49 0.92 0.71 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 64 K 8.63 4.73 0.00 1.48 1.55 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 0.97 7.81 *65 Y 8.58 4.73 0.00 2.27 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 0.00 0.00 0.00 66 G 8.45 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 0.00 0.00 0.00 67 P 0.00 4.98 0.00 1.77 1.92 0.00 3.73 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 1.97 1.58 0.00 68 R 8.63 4.49 0.00 1.59 1.75 0.00 3.20 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 69 R 8.71 4.69 0.00 1.54 1.73 0.00 3.22 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 70 Q 8.56 4.33 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 2.22 1.91 0.00 71 G 8.59 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 0.00 0.00 0.00 72 P 0.00 4.31 0.00 2.10 1.87 0.00 3.90 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 1.94 1.59 0.00 73 D 8.54 4.34 0.00 2.79 2.54 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 0.00 0.00 0.00 0.00 74 P 0.00 4.64 0.00 1.99 2.05 0.00 3.71 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 2.00 1.58 0.00 75 R 7.93 4.43 0.00 1.59 1.77 0.00 3.24 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 76 P 0.00 5.05 0.00 1.85 1.86 0.00 3.62 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.44 0.00 77 E 8.98 4.23 0.00 1.74 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 2.23 1.90 0.00 78 Q 8.57 4.61 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.93 0.00 0.00 0.00 0.00 0.00 2.20 1.91 0.00 79 V 8.61 3.93 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 0.87 0.00 0.00 0.93 0.00 0.00 80 I 7.35 4.35 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.61 0.91 0.00 0.00 81 K 8.20 4.36 0.00 1.77 1.76 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 1.01 7.81 *82 H 7.90 4.98 0.00 2.70 2.88 0.00 7.18 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.47 4.76 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.99 0.91 0.00 0.00 84 R 8.87 4.69 0.00 1.52 1.82 0.00 3.20 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 85 R 8.54 4.49 0.00 1.56 1.71 0.00 3.21 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 86 I 8.28 4.18 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.19 0.91 0.00 0.00 87 S 8.00 4.48 0.00 3.66 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 88 R 7.85 4.32 0.00 1.82 1.77 0.00 3.23 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 89 P 0.00 4.46 0.00 2.08 1.86 0.00 3.87 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 90 G 8.62 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 0.00 0.00 0.00 91 R 8.30 5.14 0.00 1.87 1.81 0.00 3.30 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.95 0.00 92 R 7.18 3.65 0.00 1.84 1.75 0.00 3.19 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 93 V 8.54 4.38 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 0.69 0.00 0.00 0.93 0.00 0.00 *94 Y 8.36 4.86 0.00 2.08 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 0.00 0.00 0.00 0.00 95 V 7.98 4.46 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 0.68 0.00 0.00 0.93 0.00 0.00 96 G 8.52 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 97 V 8.53 3.88 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 0.74 0.00 0.00 0.93 0.00 0.00 98 K 8.13 4.39 0.00 1.77 1.73 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.00 7.81 99 E 7.82 4.61 0.00 1.95 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 2.13 1.83 0.00 100 I 7.30 3.86 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.10 0.91 0.00 0.00 101 P 0.00 4.66 0.00 2.08 1.86 0.00 3.70 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 1.94 1.58 0.00 102 R 8.67 4.17 0.00 1.82 1.86 0.00 3.38 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.18 0.00 103 V 8.45 2.93 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 0.64 0.00 0.00 0.93 0.00 0.00 104 R 9.47 3.55 0.00 1.81 2.12 0.00 3.34 0.00 0.00 3.37 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.18 0.00 105 R 8.84 3.71 0.00 1.89 1.84 0.00 3.36 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.18 0.00 106 G 8.64 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 0.00 107 L 8.74 4.25 0.00 1.59 1.59 0.92 0.71 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 0.00 108 G 7.77 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 0.00 109 I 7.69 4.43 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.76 0.91 0.00 0.00 110 A 8.19 4.76 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.34 4.13 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.70 0.91 0.00 0.00 112 L 9.29 4.79 0.00 1.27 1.58 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.49 4.90 0.00 3.34 3.63 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 0.00 114 T 8.30 4.41 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 0.00 115 P 0.00 4.36 0.00 2.08 1.99 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 1.95 1.61 0.00 116 K 8.44 4.61 0.00 1.68 1.62 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.21 7.81 117 G 8.14 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 0.00 0.00 0.00 118 V 8.19 4.54 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 0.74 0.00 0.00 0.93 0.00 0.00 119 L 8.23 4.94 0.00 1.43 1.57 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 120 T 7.72 4.99 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 0.00 121 D 8.63 4.29 0.00 2.69 2.54 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 0.00 0.00 0.00 0.00 122 R 8.73 4.10 0.00 1.81 1.73 0.00 3.25 0.00 0.00 3.37 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 123 E 8.68 3.84 0.00 1.98 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 2.32 2.01 0.00 124 A 8.50 4.11 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.65 3.95 0.00 1.78 1.94 0.00 3.29 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 126 K 8.12 4.16 0.00 1.84 1.77 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.09 7.81 127 L 8.66 4.39 0.00 1.66 1.61 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 128 G 9.29 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 0.00 0.00 0.00 129 V 7.77 4.56 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 0.66 0.00 0.00 0.93 0.00 0.00 130 G 8.51 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 8.24 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 0.00 132 E 8.40 4.09 0.00 1.67 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 2.33 1.93 0.00 133 L 9.09 4.78 0.00 1.32 1.61 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.33 3.77 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.54 0.91 0.00 0.00 135 C 7.95 4.82 0.00 2.42 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 0.00 136 E 8.75 4.85 0.00 1.59 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 2.14 2.13 0.00 137 V 8.31 4.93 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 0.66 0.00 0.00 0.93 0.00 0.00 *138 W 8.95 4.39 0.00 2.20 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.