NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 3.9259 8.2893 117.9381 54.8986 32.5327 174.6278 2 N 4.5207 8.4624 117.8250 50.6246 40.2935 174.3299 3 I 3.5161 8.7698 121.0081 64.0671 38.3312 178.9745 4 F 4.0148 7.8500 118.2842 60.5307 38.7030 177.3386 5 E 4.0596 8.8556 118.5239 59.3969 29.2838 179.1234 6 M 3.7497 8.0695 118.3715 58.6959 32.2689 178.4148 7 L 4.0389 8.1141 119.2293 57.6117 41.7290 179.3786 8 R 3.8052 8.2620 118.8758 59.4092 29.7157 178.7542 9 I 3.8095 7.4517 118.7975 64.5810 37.2710 177.8800 10 D 4.5865 8.1343 118.3598 56.6696 41.1175 177.7437 11 E 4.5680 8.8055 118.4208 54.6875 30.6118 177.2823 12 G 3.9088 8.0428 108.3503 44.4625 0.0000 171.9307 13 L 4.9572 8.1288 119.1987 53.0828 44.2414 175.4638 14 R 4.6608 8.6937 124.6614 54.5929 33.5083 176.1496 15 L 4.5331 8.8019 122.3181 55.1363 43.0515 176.1305 16 K 5.0980 7.8326 117.6813 54.4416 35.2830 176.1623 17 I 4.2505 8.1991 123.2229 62.6120 37.6692 174.8557 18 Y 5.0871 8.9511 123.1473 55.6025 42.2107 173.6798 19 K 4.7166 8.7135 119.6551 55.1173 33.4998 177.2724 20 D 4.8213 8.6641 125.8676 52.5209 40.8153 174.3756 21 C 4.1996 8.7688 112.7503 58.1030 41.4891 174.1012 22 E 3.9911 8.2746 117.5990 55.6982 29.3434 176.5105 23 G 3.6564 8.0323 107.2728 45.4098 0.0000 172.8779 24 Y 4.7593 7.8748 118.0162 56.2463 40.1637 174.8403 25 Y 4.7813 7.8949 121.6557 58.7409 39.0492 175.3779 26 T 5.1156 8.8614 119.9262 62.2679 73.7480 172.4876 27 I 4.8767 8.7588 122.5131 60.0561 42.3071 176.0717 28 G 3.8780 9.2780 113.9207 47.1929 0.0000 176.3813 29 I 4.9463 7.6994 120.5915 59.2149 35.9969 174.7300 30 G 4.0878 8.4655 111.3907 46.1718 0.0000 171.0136 31 H 4.4474 8.2791 120.9497 54.1477 29.1740 174.1445 32 L 4.3503 8.1202 129.7069 55.0156 42.6437 176.3783 33 L 4.3262 8.7756 126.7659 56.8176 42.2655 176.7501 34 T 4.2509 7.2479 109.3235 61.6198 69.7197 173.2203 35 K 3.8896 8.3233 123.8070 56.1460 32.6293 177.2568 36 S 4.2963 7.9746 115.3272 57.5760 62.6821 172.2466 37 P 4.4178 0.0000 0.0000 63.7155 31.7788 176.1891 38 D 4.6172 8.2271 120.4874 53.5370 41.5108 175.8922 39 L 3.0982 8.6187 129.8255 58.2908 42.0675 178.5094 40 N 4.2766 8.4361 115.9704 55.8712 38.3796 177.3176 41 A 4.0656 8.2227 123.2647 54.3562 18.5579 179.2422 42 A 3.9203 7.8068 119.2391 55.3101 18.4203 180.0154 43 K 3.8941 8.1312 117.3251 59.5402 31.5494 179.7753 44 S 4.1512 8.1784 114.6159 61.4621 62.9630 176.4173 45 E 3.9921 8.3520 122.2827 58.9070 29.1612 179.0408 46 L 3.9628 8.0844 120.4358 58.3789 42.1164 178.7921 47 D 4.7511 8.0983 120.1148 56.6451 40.4528 178.8059 48 K 3.9122 7.9269 119.3023 59.4694 32.3188 178.5344 49 A 4.1294 8.0183 119.9975 54.7813 18.3178 178.9624 50 I 4.0973 7.7549 117.2647 61.5884 37.8464 177.3257 51 G 3.9671 9.5496 106.5287 45.0195 0.0000 172.3305 52 R 4.6132 7.2645 114.9207 54.2646 32.6287 173.6164 53 N 4.4449 8.2989 116.2867 53.4493 39.6130 173.8039 *55 N 4.3798 8.3651 119.2428 53.6693 40.2183 175.2384 56 G 3.9420 8.5400 103.2443 45.3629 0.0000 173.1333 57 V 5.1006 7.4601 117.9483 60.8917 34.5381 174.2975 58 I 4.8843 8.6361 120.1412 59.0567 41.0150 174.8774 59 T 4.2708 8.2775 112.6659 60.8507 70.2246 175.6607 60 K 3.9190 8.7212 122.6883 59.7553 32.1376 178.5343 61 D 4.3728 8.0640 118.7059 57.5361 40.8251 178.5257 62 E 3.9916 8.3161 118.8568 59.1192 29.4302 179.1369 63 A 4.0588 8.3409 121.2261 55.4448 18.4011 179.6338 64 E 4.1818 8.6464 117.3811 59.1889 29.4645 179.5263 65 K 3.9522 8.3122 119.8977 59.5667 32.2753 178.8052 66 L 4.0360 8.0925 119.2599 57.7729 41.4391 179.3831 67 F 4.7191 8.5609 120.5130 61.7855 39.4085 177.0643 68 N 4.5331 8.6939 116.2881 56.0908 38.2587 177.3637 69 Q 4.0105 8.2658 121.3667 59.2879 29.2786 177.9479 70 D 4.3843 8.5631 120.1748 57.2520 40.7719 178.9644 71 V 3.7224 8.4328 119.2487 66.0582 31.4572 177.4743 72 D 4.3048 8.3843 117.6717 57.4773 41.0180 178.2004 73 A 3.9632 8.3114 121.0162 54.9483 18.2493 179.5516 74 A 3.9289 7.9082 119.2647 55.1564 18.4683 180.1173 75 V 3.3364 7.9825 116.9182 66.2880 31.5571 178.5177 76 R 3.9969 8.2936 118.2661 59.0443 29.6091 179.2999 77 G 3.6008 7.9531 104.7599 47.8079 0.0000 175.4659 78 I 3.8365 7.8212 122.6276 64.0377 37.0085 178.0923 79 L 4.2761 7.6149 116.5761 55.5656 41.7509 178.1419 80 R 4.4841 7.4912 115.1693 54.8494 30.4676 174.9825 81 N 4.7496 7.6013 119.7120 52.0941 40.1161 175.6197 82 A 4.0252 8.5994 127.4281 54.7543 17.7258 179.3651 83 K 4.1355 8.1051 116.8481 59.4136 32.4388 179.2075 84 L 4.2783 8.3883 119.2224 57.1531 41.5517 179.3163 85 K 3.9804 8.3086 120.1379 59.0553 32.3193 177.1440 86 P 4.2706 0.0000 0.0000 65.7163 30.8780 178.5956 87 V 3.5846 7.1160 114.3446 65.9887 31.9195 176.9214 88 Y 4.1943 8.3782 119.6050 61.0725 38.4235 177.9130 89 D 4.4891 8.3973 118.7973 57.4121 40.9852 178.7049 90 S 4.3033 7.8356 113.3858 59.8000 63.4941 174.7595 91 L 4.3824 6.8459 122.0535 53.7537 42.3809 176.7628 92 D 4.5371 8.2750 121.0229 52.6824 41.3148 177.2156 93 A 3.8609 8.3258 121.6522 55.4439 18.3340 179.8025 94 V 3.1569 7.4090 114.3661 66.1621 31.8849 178.1686 95 R 3.7294 7.9886 117.3889 58.5346 29.7311 179.6444 96 R 3.9532 7.7529 116.3167 56.5087 29.7892 178.2792 *98 A 3.9334 8.0578 123.8608 52.0651 20.6698 179.8628 99 A 4.2774 8.2363 117.7169 55.5166 18.4126 179.9069 100 I 3.6880 7.9863 118.3553 64.4116 37.0999 178.0905 101 N 4.2466 8.1045 117.3433 56.7990 38.7752 176.1961 102 E 3.6848 8.5152 120.9754 59.3302 29.5865 179.0114 103 V 3.5125 7.9953 118.2448 65.7663 31.3565 177.5907 104 F 4.0985 8.4690 120.0233 61.6206 39.2617 176.9191 105 Q 4.3665 8.4566 116.4832 58.7447 28.7743 177.5467 106 M 4.3749 8.2788 117.4428 53.7777 33.6118 177.6393 107 G 4.0470 7.7729 103.9221 45.5656 0.0000 174.6482 108 V 3.5378 8.3377 118.8169 66.2701 31.5479 178.5981 109 T 4.0214 7.9423 109.0623 64.4192 68.4870 176.6451 110 G 3.6319 7.9862 107.5230 47.8517 0.0000 175.4193 111 V 3.7282 7.8150 121.0550 65.4348 31.3425 177.9946 112 A 4.2132 8.3282 120.0505 54.7314 18.2581 179.3918 113 G 3.7340 8.0010 103.2185 46.3913 0.0000 174.7045 114 F 4.3608 8.0698 122.4275 56.5743 37.6423 176.4141 115 T 4.0208 7.6989 114.9019 64.2220 69.1198 176.5347 116 N 4.2809 8.1396 119.7381 56.0744 37.2714 177.1857 117 V 3.5628 7.8778 120.6919 65.3528 31.6422 177.6959 118 L 3.9789 7.9324 118.6562 57.8755 41.4763 179.7646 119 R 3.9001 8.0649 117.9105 59.4364 29.9356 178.9565 120 M 3.9576 8.1738 118.5370 58.3648 31.9689 178.7734 121 L 4.0421 8.1601 119.3514 58.0159 41.6343 179.3689 122 Q 4.0228 8.0065 118.0435 58.8486 29.0056 177.4871 123 Q 4.2000 7.6285 116.0597 54.8661 29.0545 176.0293 124 K 2.0000 6.9598 118.2098 57.0980 30.3409 178.1185 125 R 4.0410 7.0817 120.6380 54.6464 26.9772 176.8174 126 W 4.5254 7.2624 122.8597 59.8305 29.7670 177.5561 127 D 4.4589 8.2537 118.3585 57.5617 40.3247 178.6397 128 E 3.9672 8.1868 118.2405 59.2345 29.4429 179.0419 129 A 3.9624 8.2044 120.5788 55.1898 18.4751 179.5395 130 A 3.9570 8.2023 119.2677 55.2443 18.2256 179.9290 131 V 3.5066 7.6933 115.6825 66.3365 31.9064 177.7377 132 N 4.5624 8.3428 116.1300 56.3992 38.3979 177.4617 133 L 4.1225 8.3357 120.3765 57.5628 41.5099 178.8045 134 A 3.8538 7.7970 118.5499 53.2892 18.4344 178.6210 135 K 4.3523 7.8925 116.2960 56.3056 33.0723 177.3833 136 S 4.7402 7.5440 114.7629 57.8347 64.0648 175.5585 137 R 3.9952 8.9221 121.0466 59.0352 29.5653 178.7976 138 W 4.4848 8.5097 127.0778 60.9821 30.9731 177.0099 139 Y 3.5549 8.1243 118.8406 60.7270 38.1062 177.4613 140 N 3.9756 8.0968 115.8088 55.9238 38.6790 177.0963 141 Q 4.1732 8.2012 118.8154 57.5532 30.2390 176.1489 142 C 4.8110 7.5216 118.5249 53.7394 45.6435 172.0524 143 P 3.5920 0.0000 0.0000 65.3345 31.1207 177.8573 144 D 4.3664 7.8177 116.2624 57.0249 40.8391 178.0950 145 R 4.1261 7.6025 117.9630 58.0495 30.4552 177.2364 146 A 4.3898 7.5869 119.2356 52.6744 19.9033 178.7492 147 K 3.9234 8.0326 117.9000 60.3136 32.4892 179.6224 148 R 3.8282 7.8500 118.7046 58.6007 29.9777 178.9301 149 V 3.6568 7.8620 117.7871 66.0407 31.7537 177.9642 150 I 3.9594 7.8326 119.4883 64.9121 36.8944 178.5024 151 T 3.8818 8.0003 116.4703 67.0007 68.1438 176.8392 152 T 3.7184 8.0879 117.6597 66.5771 68.2164 176.7713 153 F 4.2182 7.9479 118.7801 60.3943 38.9307 177.5696 154 R 4.1425 7.7723 117.6957 59.6506 30.1119 178.1304 155 T 4.1804 8.0178 108.0053 61.6706 69.3216 175.7196 156 G 3.4693 7.9324 108.4178 45.7514 0.0000 172.6296 157 T 4.4297 7.2787 108.5650 59.2410 71.5249 173.6806 158 W 4.8541 8.3948 118.6711 56.9109 29.2580 178.3500 159 D 4.3832 8.1432 121.1600 57.3969 40.3058 178.4217 160 A 4.0820 8.0565 119.8702 53.9820 18.5481 177.1930 161 Y 4.4960 8.2085 112.0944 57.5699 38.7531 176.0940 162 K 4.2278 7.8504 125.2943 56.5835 32.2429 176.4498 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 8.29 3.93 0.00 1.53 1.88 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 1.30 0.81 0.00 2 N 8.46 4.52 0.00 3.04 2.96 0.00 0.00 7.06 6.81 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 3 I 8.77 3.52 1.70 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 0.21 0.00 0.00 4 F 7.85 4.01 0.00 3.23 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 5 E 8.86 4.06 0.00 2.00 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 2.46 0.00 6 M 8.07 3.75 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.26 0.00 7 L 8.11 4.04 0.00 1.94 1.57 0.11 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.26 3.81 0.00 2.11 2.19 0.00 3.07 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 9 I 7.45 3.81 2.32 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 1.60 0.82 1.04 0.00 0.00 10 D 8.13 4.59 0.00 2.82 2.87 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 11 E 8.81 4.57 0.00 2.01 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 0.00 2.42 2.53 0.00 12 G 8.04 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 0.00 0.00 0.00 13 L 8.13 4.96 0.00 1.47 1.48 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.69 4.66 0.00 1.61 1.61 0.00 2.58 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.22 0.00 15 L 8.80 4.53 0.00 1.61 1.93 0.93 0.97 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 16 K 7.83 5.10 0.00 1.74 1.79 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.55 7.81 17 I 8.20 4.25 1.86 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 0.71 0.87 0.00 0.00 18 Y 8.95 5.09 0.00 3.03 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.71 4.72 0.00 1.66 1.66 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.28 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.85 1.38 7.81 20 D 8.66 4.82 0.00 2.90 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 21 C 8.77 4.20 0.00 3.04 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 22 E 8.27 3.99 0.00 1.64 1.19 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 2.10 2.20 0.00 23 G 8.03 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 7.87 4.76 0.00 3.07 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.89 4.78 0.00 2.76 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 26 T 8.86 5.12 3.28 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 1.26 0.00 0.00 27 I 8.76 4.88 1.95 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 1.25 1.39 0.99 0.00 0.00 28 G 9.28 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 0.00 0.00 0.00 29 I 7.70 4.95 0.84 0.00 0.00 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 0.66 1.31 0.18 0.00 0.00 30 G 8.47 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 31 H 8.28 4.45 0.00 3.35 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.12 4.35 0.00 1.59 1.45 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.78 4.33 0.00 1.84 1.72 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.25 4.25 4.26 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 1.37 0.00 0.00 35 K 8.32 3.89 0.00 1.49 1.33 0.00 1.49 0.00 0.00 1.04 0.00 0.00 2.31 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 0.86 7.81 36 S 7.97 4.30 0.00 3.86 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 37 P 0.00 4.42 0.00 2.28 2.17 0.00 3.87 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 2.04 1.99 0.00 38 D 8.23 4.62 0.00 2.81 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 39 L 8.62 3.10 0.00 1.67 1.56 0.33 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.44 4.28 0.00 2.94 2.82 0.00 0.00 6.88 7.27 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 41 A 8.22 4.07 1.35 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 0.00 0.00 42 A 7.81 3.92 1.06 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 43 K 8.13 3.89 0.00 1.90 1.83 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.49 7.81 44 S 8.18 4.15 0.00 4.05 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 45 E 8.35 3.99 0.00 2.15 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 2.48 2.59 0.00 46 L 8.08 3.96 0.00 1.76 1.83 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.10 4.75 0.00 2.89 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 48 K 7.93 3.91 0.00 1.87 2.02 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 49 A 8.02 4.13 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 50 I 7.75 4.10 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 1.67 0.90 0.91 0.00 0.00 51 G 9.55 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 52 R 7.26 4.61 0.00 1.94 2.01 0.00 2.97 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 1.58 1.61 0.00 53 N 8.30 4.44 0.00 2.68 2.75 0.00 0.00 6.84 7.79 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 *55 N 8.37 4.38 0.00 2.72 2.82 0.00 0.00 7.08 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 8.54 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 0.00 0.00 0.00 57 V 7.46 5.10 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 0.93 0.00 0.00 1.00 0.00 0.00 58 I 8.64 4.88 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 0.93 0.00 0.00 59 T 8.28 4.27 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 1.22 0.00 0.00 60 K 8.72 3.92 0.00 1.85 1.86 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.55 7.81 61 D 8.06 4.37 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 62 E 8.32 3.99 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 63 A 8.34 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.65 4.18 0.00 2.24 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 0.00 2.48 2.50 0.00 65 K 8.31 3.95 0.00 1.89 1.98 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.56 7.81 66 L 8.09 4.04 0.00 1.97 1.69 0.83 0.76 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 67 F 8.56 4.72 0.00 3.27 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 68 N 8.69 4.53 0.00 2.82 2.85 0.00 0.00 6.72 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 69 Q 8.27 4.01 0.00 2.28 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 70 D 8.56 4.38 0.00 3.29 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 71 V 8.43 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0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.56 0.00 0.00 0.00 0.00 0.00 2.98 3.06 0.00 106 M 8.28 4.37 0.00 1.79 1.90 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 2.00 0.00 107 G 7.77 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 0.00 0.00 0.00 0.00 108 V 8.34 3.54 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 1.16 0.00 0.00 0.91 0.00 0.00 109 T 7.94 4.02 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 1.21 0.00 0.00 110 G 7.99 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 0.00 0.00 0.00 111 V 7.82 3.73 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 0.96 0.00 0.00 0.79 0.00 0.00 112 A 8.33 4.21 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 0.00 113 G 8.00 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 0.00 0.00 0.00 114 F 8.07 4.36 0.00 3.23 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 7.70 4.02 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 1.27 0.00 0.00 116 N 8.14 4.28 0.00 3.04 3.12 0.00 0.00 5.92 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 0.00 117 V 7.88 3.56 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 0.96 0.00 0.00 1.06 0.00 0.00 118 L 7.93 3.98 0.00 1.92 1.72 nan 0.96 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 0.00 119 R 8.06 3.90 0.00 2.01 1.95 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 120 M 8.17 3.96 0.00 2.16 2.20 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 2.73 2.54 0.00 121 L 8.16 4.04 0.00 1.82 1.87 0.55 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 8.01 4.02 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 123 Q 7.63 4.20 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.27 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 124 K 6.96 2.00 0.00 1.45 1.21 0.00 1.83 0.00 0.00 1.45 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.12 1.40 7.81 125 R 7.08 4.04 0.00 1.79 1.87 0.00 3.05 0.00 0.00 3.12 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.43 0.00 126 W 7.26 4.53 0.00 3.36 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 0.00 127 D 8.25 4.46 0.00 2.72 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 0.00 128 E 8.19 3.97 0.00 2.13 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 2.39 2.36 0.00 129 A 8.20 3.96 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 0.00 130 A 8.20 3.96 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 0.00 131 V 7.69 3.51 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 0.88 0.00 0.00 0.96 0.00 0.00 132 N 8.34 4.56 0.00 3.12 2.96 0.00 0.00 7.08 6.36 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 0.00 133 L 8.34 4.12 0.00 1.89 1.93 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.80 3.85 1.11 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 0.00 135 K 7.89 4.35 0.00 2.02 1.97 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.73 7.81 136 S 7.54 4.74 0.00 4.41 4.26 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 0.00 137 R 8.92 4.00 0.00 2.06 2.15 0.00 3.22 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 138 W 8.51 4.48 0.00 3.26 3.34 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 0.00 139 Y 8.12 3.55 0.00 2.76 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 0.00 140 N 8.10 3.98 0.00 2.84 2.81 0.00 0.00 7.16 7.20 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 0.00 141 Q 8.20 4.17 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.15 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 142 C 7.52 4.81 0.00 2.86 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 0.00 143 P 0.00 3.59 0.00 1.99 1.63 0.00 3.43 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.55 0.00 144 D 7.82 4.37 0.00 2.60 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 0.00 145 R 7.60 4.13 0.00 1.82 1.94 0.00 3.72 0.00 0.00 3.36 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 146 A 7.59 4.39 0.09 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 0.00 147 K 8.03 3.92 0.00 2.02 2.32 0.00 1.30 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.43 7.81 148 R 7.85 3.83 0.00 1.80 1.18 0.00 2.77 0.00 0.00 2.66 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 149 V 7.86 3.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 1.26 0.00 0.00 150 I 7.83 3.96 1.92 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.08 0.85 0.00 0.00 151 T 8.00 3.88 4.32 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 1.17 0.00 0.00 152 T 8.09 3.72 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 153 F 7.95 4.22 0.00 3.23 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 0.00 154 R 7.77 4.14 0.00 1.90 2.14 0.00 3.26 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 155 T 8.02 4.18 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 156 G 7.93 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 7.28 4.43 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 1.14 0.00 0.00 158 W 8.39 4.85 0.00 3.48 3.24 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 0.00 159 D 8.14 4.38 0.00 2.83 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 0.00 160 A 8.06 4.08 1.11 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 0.00 161 Y 8.21 4.50 0.00 3.34 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 0.00 162 K 7.85 4.23 0.00 1.85 1.75 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.31 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.71 7.81 * Residues marked with a * may have inaccurate shift predictions.