NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4247 8.1633 120.3497 55.8333 34.1240 177.0247 2 N 4.4418 8.0399 114.3085 54.2993 39.5602 173.8502 3 R 4.6967 7.8425 117.0044 54.6675 31.9071 176.1221 4 G 4.0638 7.9577 109.2500 48.5523 0.0000 174.1205 5 A 4.2261 7.9200 121.7500 53.8194 19.6021 179.0527 6 L 4.0465 8.4113 118.2288 58.0149 42.0021 179.1519 7 I 3.6855 7.6669 119.4218 64.2879 37.2348 178.0131 8 K 4.6165 7.4407 119.8591 59.1229 31.7554 179.0739 9 L 4.0075 7.5721 117.0718 57.9940 41.5596 179.7291 10 V 3.7136 7.3098 117.1318 66.1261 31.8581 177.4346 11 E 4.3393 8.1969 118.3323 58.9547 29.7442 177.0362 12 S 4.7459 7.8253 114.8803 58.1184 61.3680 173.4844 13 R 4.5630 8.4779 126.1347 55.9804 30.5822 175.2037 14 Y 4.6686 7.7105 111.9183 57.0984 38.9320 176.2752 15 V 4.0710 7.5848 111.7031 60.8039 32.9181 176.0586 16 R 4.6214 7.9033 121.0071 55.5552 32.8333 174.8663 17 T 4.3299 8.0271 111.3079 63.1296 72.7593 174.1828 18 D 4.6546 8.3164 119.0093 54.4263 39.7388 175.8376 19 L 4.6431 7.0468 119.1098 52.5505 43.3645 174.7857 20 P 4.3586 0.0000 0.0000 62.4978 31.9275 176.0233 21 E 4.3640 8.5904 121.9561 54.8777 29.3151 175.1164 22 F 5.1048 7.9037 120.6802 55.1192 40.4253 174.4043 23 R 4.3426 8.6671 114.9704 55.7517 31.3937 175.1469 24 P 4.9272 0.0000 0.0000 64.3707 30.1104 176.8502 25 G 4.1151 9.2795 108.2068 46.4008 0.0000 176.7736 26 D 4.9301 8.8119 127.5813 53.0404 42.8050 173.7232 27 T 4.2608 8.4859 126.9086 60.8127 68.2374 177.2119 28 V 4.0836 6.9300 115.6299 61.6886 33.5620 168.7943 29 R 4.7460 8.9551 132.3428 57.1359 33.5540 173.8371 30 V 3.6925 7.3287 111.9433 61.7247 35.0863 174.9729 31 S 4.1193 7.5365 119.4583 58.4459 66.7414 175.1721 32 Y 4.6820 7.6092 112.3057 57.6217 43.8357 174.7495 33 K 3.3922 7.3583 117.2235 56.5057 30.5748 174.1051 34 V 4.3632 7.9415 122.9754 61.4635 33.2848 174.2642 35 K 4.1514 8.3912 129.8137 56.9598 36.5749 175.3199 36 E 3.8168 10.3552 120.7750 56.7707 28.1323 176.4110 37 G 4.0589 8.3559 102.6165 45.2058 0.0000 174.0528 38 N 5.0804 8.6486 119.4809 52.1083 39.1022 174.7920 39 R 5.0235 8.4231 108.4725 54.9563 31.6925 173.3798 40 T 4.2079 7.0247 116.7863 58.7948 71.1139 176.2500 41 R 3.6153 8.8567 112.9824 56.4993 27.7588 176.7538 42 I 3.7063 7.5449 110.8391 61.7620 37.9437 177.1777 43 Q 4.3418 8.6036 129.4729 55.8776 30.7334 173.8723 44 D 5.2021 8.5031 121.3502 52.2911 44.1771 175.5576 45 F 4.4793 8.7958 124.3716 56.5307 42.0172 173.5689 46 E 4.6553 8.3667 128.9229 54.9117 29.6930 174.8287 47 G 4.2665 8.2039 112.6319 44.4396 0.0000 170.8090 48 I 4.3711 8.0754 120.1002 61.0382 38.9163 176.1721 49 V 4.6624 8.2254 125.8671 61.0152 31.8960 176.7390 50 I 3.8698 8.9564 128.4157 63.6793 38.3684 176.2096 51 R 4.3572 7.1877 118.6372 55.6239 34.1666 173.9579 52 I 5.0580 8.5127 125.2424 59.6922 40.1182 174.8062 53 R 4.4868 8.6855 125.4704 54.6947 30.7303 176.8566 54 R 4.3938 8.4529 122.5571 54.9095 31.2749 174.9532 55 N 4.4831 8.7028 114.9393 53.6505 40.5022 174.8769 56 G 3.9275 8.1952 105.6332 44.8093 0.0000 176.9485 57 F 4.8251 7.8167 122.3499 57.6433 42.2778 176.0487 58 N 3.8496 6.3459 116.2321 53.6945 35.8823 173.7725 59 T 4.2265 7.9332 114.4515 62.1420 69.8452 174.1582 60 T 4.9845 8.0540 115.9489 60.4965 71.7862 173.3898 61 F 5.6174 9.2980 116.3932 55.6486 41.8221 173.3644 62 T 5.3971 9.4784 110.8610 59.1592 71.6716 173.1156 63 V 5.0556 7.9771 116.8364 59.9384 35.4274 174.5936 64 R 5.7570 9.1436 123.5935 54.9735 33.5897 173.7747 65 K 4.5437 8.5478 125.8817 54.6316 36.9089 174.7478 66 V 4.3000 8.2459 122.7463 62.0879 31.7612 175.7396 67 S 4.3168 8.9734 125.2464 57.3014 63.0434 175.3070 68 Y 3.9909 8.6204 130.4948 59.3049 35.5725 171.1597 69 G 3.7889 9.6246 114.6076 48.4857 0.0000 174.4530 70 V 4.1002 7.6363 119.5054 61.7845 33.3864 174.9847 71 G 4.4752 8.5063 111.8129 44.7410 0.0000 173.0959 72 V 4.7154 9.5069 122.4886 60.8844 35.4168 173.8261 73 E 5.2192 8.8390 125.4963 54.6551 31.9042 175.4094 74 R 4.0293 8.9881 122.8174 54.0938 33.3554 174.5832 75 I 4.0898 7.7123 124.5157 59.7327 38.5361 174.9439 76 F 5.1598 8.2043 126.8976 55.0090 40.7485 175.2818 77 P 4.2320 0.0000 0.0000 63.4989 31.4332 177.6095 78 L 4.2908 8.9096 118.2512 55.5634 40.6780 173.1386 79 H 4.9083 7.6921 112.1898 55.8144 32.6976 171.6009 80 S 3.9919 8.7023 119.5426 57.4806 61.3058 167.5738 81 P 4.5952 0.0000 0.0000 61.9709 30.5653 175.8211 82 L 4.5859 7.7312 119.7436 53.9578 43.8030 177.0203 83 I 4.0478 7.9892 119.1111 58.6980 36.9367 177.4067 84 Q 4.8490 8.4057 118.4278 56.9100 31.6842 171.8728 85 K 4.9421 7.6887 123.4287 56.9932 34.0763 173.6886 86 I 3.8988 7.2819 119.0578 61.1449 38.7927 173.6926 87 D 4.9419 8.0110 119.6839 51.0113 43.7244 175.6810 88 I 3.9058 8.8478 122.8617 62.5137 37.4339 178.2499 89 V 4.2049 5.4500 129.6162 61.6947 35.1369 175.8726 90 Q 4.4436 8.8946 128.1910 55.4817 26.6578 176.3338 91 R 4.7508 7.8210 128.4699 54.6272 31.3026 177.2913 92 G 4.1527 9.5492 117.9541 47.1871 0.0000 174.1988 93 R 3.7465 8.5157 121.7550 56.8225 29.5424 175.1794 94 A 3.8026 7.9007 121.6092 51.9168 17.9498 176.7283 95 R 4.7168 8.4196 114.7276 55.4632 31.7457 175.7926 96 R 4.6694 7.6396 112.7083 54.4904 32.2957 174.8531 97 A 4.0265 8.9109 123.6725 54.8139 18.4972 177.9922 98 K 4.3650 8.0374 116.6460 54.9507 33.7701 177.1654 99 L 5.0802 7.7856 128.3428 54.8298 39.7203 177.2960 100 Y 4.2791 7.9821 118.4478 60.5547 38.3682 178.4106 101 F 4.4561 8.6644 115.3688 59.1687 38.0983 177.4376 102 I 3.6328 6.5402 113.8001 63.3685 38.1229 177.4426 103 R 3.5720 8.1622 114.6267 59.6966 29.5620 178.7041 104 N 4.0939 8.1849 119.4923 56.0309 39.7517 175.3443 105 L 4.5999 7.4123 122.1447 52.9494 43.4823 175.7570 106 S 4.8848 9.2116 117.2644 55.9854 67.5918 172.4307 107 D 5.1241 8.2691 123.5977 52.7023 35.0739 179.0038 108 R 4.1939 9.0014 122.0303 58.3714 30.3011 175.9926 109 E 4.0361 8.4637 118.2292 59.3726 29.3743 179.3145 110 I 3.7005 7.6868 119.3552 64.3966 37.1063 177.9414 111 R 4.2186 7.5908 115.3271 57.5415 30.0476 177.9663 112 R 4.3730 7.6462 117.1334 57.6645 31.1123 177.9356 113 K 4.3285 8.1939 117.4560 57.2430 33.6809 177.5001 114 L 5.2363 7.5512 118.3610 51.9145 42.5624 176.4221 115 R 3.8397 8.4061 117.7529 57.4267 29.4058 179.2453 116 A 4.1731 8.6279 126.3317 51.1275 21.9428 178.9790 117 D 4.7135 7.7415 124.1837 54.0534 37.0656 176.3105 118 R 3.8851 7.9243 123.3869 59.2178 30.5114 177.6329 119 K 4.2066 8.2580 118.5078 60.1114 31.8845 178.7691 120 R 4.1925 7.8490 115.9935 58.7260 30.0952 178.8884 121 I 3.9491 7.5186 119.9771 64.1771 37.2933 177.5902 122 D 4.4062 9.0880 120.1850 56.5314 40.8753 177.4237 123 Q 4.5910 7.6836 116.5175 55.8053 29.0230 175.8296 124 D 4.8100 8.3498 120.6212 55.9797 43.0924 177.9398 125 R 4.1858 8.0811 114.5347 56.9558 30.0444 176.4612 126 A 4.5131 7.8617 120.4869 52.5985 21.1524 177.7354 127 A 4.4937 7.9087 117.9278 52.5794 18.6490 178.3979 128 E 4.2459 7.9990 112.5883 57.3744 29.3116 174.7114 129 R 4.0424 7.1890 122.3733 56.6665 29.0565 174.9643 130 A 4.0854 8.2586 123.7951 50.4077 20.5680 176.6757 131 A 3.5799 7.7935 123.1033 52.4130 16.1229 177.5270 132 K 4.5193 8.1746 121.8936 57.4011 30.7627 179.3054 133 E 3.9423 8.5276 122.3718 58.2796 29.4702 176.3781 134 E 4.2774 7.8437 119.3616 56.6291 30.5441 175.7912 135 A 3.8869 8.9237 122.7541 52.8404 15.9353 178.3072 136 Q 4.5433 7.6984 116.5031 57.5321 33.8759 174.9848 137 K 4.3774 7.2390 116.8697 55.3230 31.6697 175.9751 *138 A 4.1104 7.6671 124.7616 52.4281 18.7921 176.8630 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 8.16 4.42 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 2 N 8.04 4.44 0.00 2.84 2.85 0.00 0.00 6.65 6.78 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 3 R 7.84 4.70 0.00 1.78 1.90 0.00 3.33 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 4 G 7.96 4.06 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 0.00 0.00 0.00 5 A 7.92 4.23 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 6 L 8.41 4.05 0.00 1.68 1.83 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.67 3.69 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.66 0.99 0.00 0.00 8 K 7.44 4.62 0.00 2.10 1.92 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.56 7.81 9 L 7.57 4.01 0.00 1.84 1.76 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.31 3.71 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 0.83 0.00 0.00 0.93 0.00 0.00 11 E 8.20 4.34 0.00 2.33 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 2.37 2.46 0.00 12 S 7.83 4.75 0.00 4.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.48 4.56 0.00 1.64 1.59 0.00 3.12 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.41 0.00 14 Y 7.71 4.67 0.00 2.89 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 15 V 7.58 4.07 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 0.46 0.00 0.00 0.88 0.00 0.00 16 R 7.90 4.62 0.00 1.60 1.94 0.00 3.93 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 17 T 8.03 4.33 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 1.20 0.00 0.00 18 D 8.32 4.65 0.00 2.82 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.05 4.64 0.00 1.74 1.65 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.36 0.00 2.08 2.01 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 21 E 8.59 4.36 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 22 F 7.90 5.10 0.00 3.11 2.89 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 23 R 8.67 4.34 0.00 1.90 1.87 0.00 2.94 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 24 P 0.00 4.93 0.00 2.14 2.26 0.00 3.67 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 25 G 9.28 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 26 D 8.81 4.93 0.00 2.73 2.71 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 27 T 8.49 4.26 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 28 V 6.93 4.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.01 0.00 0.00 29 R 8.96 4.75 0.00 2.01 1.87 0.00 3.25 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.34 0.00 30 V 7.33 3.69 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 0.79 0.00 0.00 0.92 0.00 0.00 31 S 7.54 4.12 0.00 2.72 3.11 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 32 Y 7.61 4.68 0.00 3.08 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.36 3.39 0.00 2.09 1.78 0.00 1.67 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.11 1.25 7.81 34 V 7.94 4.36 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 0.93 0.00 0.00 1.03 0.00 0.00 35 K 8.39 4.15 0.00 2.08 1.76 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.20 1.24 7.81 36 E 10.36 3.82 0.00 2.03 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 0.00 2.29 2.29 0.00 37 G 8.36 4.06 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 0.00 0.00 0.00 38 N 8.65 5.08 0.00 2.80 2.84 0.00 0.00 6.67 6.64 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 39 R 8.42 5.02 0.00 1.78 1.89 0.00 3.20 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 40 T 7.02 4.21 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 1.23 0.00 0.00 41 R 8.86 3.62 0.00 1.94 1.97 0.00 3.39 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 42 I 7.54 3.71 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.58 0.95 0.00 0.00 43 Q 8.60 4.34 0.00 2.15 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 44 D 8.50 5.20 0.00 2.51 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.80 4.48 0.00 3.22 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 46 E 8.37 4.66 0.00 1.90 1.68 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 2.11 2.22 0.00 47 G 8.20 4.27 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 0.00 48 I 8.08 4.37 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 1.25 0.40 1.00 0.00 0.00 49 V 8.23 4.66 2.37 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 0.93 0.00 0.00 1.30 0.00 0.00 50 I 8.96 3.87 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.40 0.56 0.00 0.00 51 R 7.19 4.36 0.00 1.58 1.43 0.00 2.93 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 52 I 8.51 5.06 1.83 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.84 0.90 0.00 0.00 53 R 8.69 4.49 0.00 1.96 2.12 0.00 2.79 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 54 R 8.45 4.39 0.00 1.83 1.91 0.00 3.31 0.00 0.00 3.79 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 55 N 8.70 4.48 0.00 2.62 2.89 0.00 0.00 6.98 7.98 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 56 G 8.20 3.93 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 0.00 0.00 0.00 57 F 7.82 4.83 0.00 2.96 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 58 N 6.35 3.85 0.00 2.62 2.43 0.00 0.00 5.92 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 59 T 7.93 4.23 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 1.38 0.00 0.00 60 T 8.05 4.98 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 61 F 9.30 5.62 0.00 3.47 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 9.48 5.40 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 1.08 0.00 0.00 63 V 7.98 5.06 2.35 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 1.09 0.00 0.00 1.17 0.00 0.00 64 R 9.14 5.76 0.00 1.81 1.71 0.00 3.28 0.00 0.00 3.18 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 65 K 8.55 4.54 0.00 1.73 1.28 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.35 7.81 66 V 8.25 4.30 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 0.84 0.00 0.00 0.91 0.00 0.00 67 S 8.97 4.32 0.00 3.65 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 68 Y 8.62 3.99 0.00 3.17 2.34 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 69 G 9.62 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 70 V 7.64 4.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.96 0.00 0.00 71 G 8.51 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 9.51 4.72 2.35 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 0.89 0.00 0.00 0.98 0.00 0.00 73 E 8.84 5.22 0.00 1.80 1.77 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 2.22 2.30 0.00 74 R 8.99 4.03 0.00 0.67 0.66 0.00 2.38 0.00 0.00 2.62 7.18 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 I 7.71 4.09 1.66 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 1.17 0.34 0.79 0.00 0.00 76 F 8.20 5.16 0.00 1.67 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.23 0.00 2.22 2.06 0.00 3.83 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 78 L 8.91 4.29 0.00 2.27 2.15 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 79 H 7.69 4.91 0.00 3.23 3.37 0.00 5.93 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.70 3.99 0.00 4.07 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 81 P 0.00 4.60 0.00 0.87 1.87 0.00 3.43 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 1.44 1.90 0.00 82 L 7.73 4.59 0.00 1.70 1.73 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.99 4.05 1.88 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 1.36 0.40 0.94 0.00 0.00 84 Q 8.41 4.85 0.00 2.27 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.72 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 85 K 7.69 4.94 0.00 1.70 1.73 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.96 1.08 7.81 86 I 7.28 3.90 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 0.89 0.00 0.00 87 D 8.01 4.94 0.00 2.71 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.85 3.91 2.17 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 1.09 0.71 0.90 0.00 0.00 89 V 5.45 4.20 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 0.78 0.00 0.00 0.93 0.00 0.00 90 Q 8.89 4.44 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.32 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 91 R 7.82 4.75 0.00 1.76 1.49 0.00 3.47 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 92 G 9.55 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 93 R 8.52 3.75 0.00 1.97 2.07 0.00 3.42 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 94 A 7.90 3.80 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 95 R 8.42 4.72 0.00 1.73 1.88 0.00 3.39 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 96 R 7.64 4.67 0.00 1.91 1.86 0.00 3.06 0.00 0.00 3.46 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.86 0.00 97 A 8.91 4.03 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 98 K 8.04 4.37 0.00 1.90 2.12 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.24 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.76 1.46 7.81 99 L 7.79 5.08 0.00 1.98 2.16 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.98 4.28 0.00 3.13 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 0.00 101 F 8.66 4.46 0.00 3.24 3.35 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 0.00 0.00 0.00 0.00 102 I 6.54 3.63 1.64 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.46 0.28 0.00 0.00 103 R 8.16 3.57 0.00 1.94 1.86 0.00 3.31 0.00 0.00 3.29 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 104 N 8.18 4.09 0.00 2.79 2.86 0.00 0.00 6.61 7.85 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 0.00 105 L 7.41 4.60 0.00 1.82 1.82 0.96 0.85 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 0.00 106 S 9.21 4.88 0.00 3.89 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 0.00 107 D 8.27 5.12 0.00 2.90 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 0.00 108 R 9.00 4.19 0.00 1.90 1.96 0.00 3.19 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 109 E 8.46 4.04 0.00 2.16 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 2.36 2.68 0.00 110 I 7.69 3.70 2.04 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 1.55 0.64 0.87 0.00 0.00 111 R 7.59 4.22 0.00 1.89 1.98 0.00 3.15 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 112 R 7.65 4.37 0.00 2.00 2.00 0.00 3.21 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.90 0.00 113 K 8.19 4.33 0.00 2.00 2.10 0.00 1.77 0.00 0.00 1.86 0.00 0.00 3.21 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.94 1.68 7.81 114 L 7.55 5.24 0.00 1.69 1.62 0.89 0.84 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 0.00 115 R 8.41 3.84 0.00 1.82 1.72 0.00 3.42 0.00 0.00 3.24 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.61 0.00 116 A 8.63 4.17 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.74 4.71 0.00 2.79 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 0.00 118 R 7.92 3.89 0.00 1.89 2.22 0.00 3.21 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 119 K 8.26 4.21 0.00 1.82 2.04 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.56 7.81 120 R 7.85 4.19 0.00 1.81 2.00 0.00 3.22 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 121 I 7.52 3.95 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.98 0.92 0.00 0.00 122 D 9.09 4.41 0.00 2.52 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 0.00 123 Q 7.68 4.59 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 124 D 8.35 4.81 0.00 2.95 2.70 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 0.00 125 R 8.08 4.19 0.00 1.80 1.97 0.00 3.33 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 126 A 7.86 4.51 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 0.00 127 A 7.91 4.49 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 0.00 128 E 8.00 4.25 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 129 R 7.19 4.04 0.00 1.77 1.96 0.00 3.29 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 130 A 8.26 4.09 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 0.00 131 A 7.79 3.58 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 0.00 132 K 8.17 4.52 0.00 1.83 1.82 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.42 7.81 133 E 8.53 3.94 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 2.31 2.30 0.00 134 E 7.84 4.28 0.00 2.05 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 2.28 2.29 0.00 135 A 8.92 3.89 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 0.00 136 Q 7.70 4.54 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.11 7.25 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 137 K 7.24 4.38 0.00 1.92 1.72 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.60 1.48 7.81 *138 A 7.67 4.11 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.