NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4606 8.1476 120.3444 55.4052 33.6084 174.3488 2 N 5.3266 8.2371 119.3668 50.7041 40.7365 174.3602 3 I 3.4503 9.1655 120.8519 64.1125 38.2940 178.9031 4 S 4.0906 8.1386 115.5874 61.7663 62.7052 176.1764 5 D 4.3272 8.3898 121.3077 57.5032 40.5750 179.0614 6 V 3.5088 7.5553 117.9382 65.7614 31.2677 177.9835 7 A 3.9675 7.8729 120.4538 55.1864 18.1185 179.5631 8 K 3.8422 7.8610 115.5597 59.9164 32.2106 179.3541 9 I 3.9058 8.0254 119.6325 63.9432 37.1664 177.7835 10 T 4.3257 8.0472 108.8224 61.3000 69.2597 175.4720 11 G 3.8468 8.4207 109.8669 46.2561 0.0000 173.0739 12 L 4.8493 7.6726 117.6728 52.3989 44.8848 177.0598 13 T 4.3140 8.0584 111.4144 61.2300 71.2997 175.9276 14 S 4.1106 8.6190 118.6863 61.7038 62.8429 176.7938 15 K 3.8093 8.1183 121.5003 59.6215 31.8158 178.3374 16 A 3.7572 7.8576 120.6026 55.1452 18.4365 179.4774 17 I 3.8347 7.8168 118.2466 64.8514 37.2261 178.7384 18 R 4.0183 8.3072 119.4574 59.0955 29.8315 178.3983 19 F 4.0208 8.1743 120.6637 61.5826 39.4857 176.8164 20 Y 4.2596 8.0792 116.6421 60.8696 37.5666 178.4744 21 E 3.9652 8.0984 120.0616 59.3029 29.6078 178.4055 22 E 3.9021 8.0080 118.1172 59.0335 29.7515 178.2502 23 K 4.1230 7.6930 116.2261 56.2017 32.2921 177.6644 24 G 3.9269 7.7352 107.0988 46.2987 0.0000 174.9922 25 L 4.2011 7.9628 121.0669 56.0296 41.9469 177.3905 26 V 4.6551 7.3332 109.8097 58.9843 35.2509 175.2897 27 T 4.0095 9.8095 120.4067 62.8256 68.6464 173.1950 28 P 4.3547 0.0000 0.0000 62.4139 31.6673 174.1334 29 P 4.0514 0.0000 0.0000 62.7950 32.5361 175.3676 30 M 4.4290 8.2815 119.9801 54.7525 33.8904 175.5170 31 R 5.1722 8.3015 118.9913 54.6693 33.0740 176.3622 32 S 4.6258 8.4947 117.7433 56.8860 65.3292 174.7572 33 E 4.0616 8.8882 118.4616 59.0774 29.1290 178.0112 34 N 4.4386 8.1176 113.8744 53.2256 39.3111 175.8546 35 G 3.6406 8.3385 106.8848 45.2470 0.0000 172.6508 36 Y 4.9429 7.2041 116.5437 55.9010 40.9379 175.2012 37 R 4.7618 8.6378 120.6723 56.3972 31.1479 176.3247 38 T 5.0363 8.5804 113.0880 60.2005 72.2353 172.4852 39 Y 5.0953 9.1118 121.2420 56.4709 41.7040 174.4243 40 T 4.7919 8.5781 109.5779 58.9706 72.2883 174.3690 41 Q 3.9475 8.8156 121.3989 59.7028 28.6044 178.3208 42 Q 4.0254 7.9144 120.4584 59.6683 29.0521 178.1883 43 H 4.3745 8.4338 117.2973 58.6596 28.6639 177.7907 44 L 3.9987 7.8750 120.5209 57.7698 41.4359 179.1613 45 N 4.1928 8.4946 116.6643 56.3357 38.5566 177.2558 46 E 3.6859 8.0005 119.8516 59.3967 29.5306 179.6014 47 L 3.8549 8.0147 118.8582 57.9016 41.7085 179.4305 48 T 3.7588 7.9515 115.9433 66.6025 68.4419 176.0421 49 L 3.7470 7.7482 122.0624 58.1400 42.1261 178.7018 50 L 3.7310 7.6764 119.9867 58.0322 41.9013 178.9139 51 R 3.8730 8.2047 118.8924 59.7368 30.2054 178.6286 52 Q 4.0810 8.2175 117.3300 58.5422 28.6295 178.4612 53 A 4.2296 8.1233 122.2683 55.0633 18.4809 179.9149 54 R 4.4578 7.9500 117.8818 59.0547 29.9427 179.2115 55 Q 4.1160 8.0470 117.0431 58.5339 28.7092 178.2333 56 V 4.1830 7.3262 110.6417 61.2183 31.8615 176.8406 57 G 4.0007 7.8352 107.6301 45.3624 0.0000 174.9336 58 F 4.3796 8.3951 119.9323 57.3367 39.6643 175.4095 59 N 5.0588 9.2890 123.2086 52.0088 40.4236 175.6786 60 L 4.0710 8.4773 119.0725 58.1315 41.7141 178.6941 61 E 3.9532 8.3386 118.4624 59.7484 29.4853 178.8989 62 E 4.1802 9.0460 118.5176 59.7162 29.4991 179.5206 63 S 4.0925 8.4106 115.3389 61.4828 62.8073 177.1408 64 G 3.5619 8.4712 108.7819 47.8533 0.0000 175.6128 65 E 3.9897 8.2162 121.1586 59.1994 29.3427 179.5465 66 L 3.9433 7.7892 119.0366 57.5204 41.5014 179.7132 67 V 3.6262 7.4893 118.2552 65.8010 31.2193 177.8144 68 N 4.3227 8.0189 115.4364 56.4730 38.8632 176.9877 69 L 4.1092 8.2609 120.6456 57.7397 41.4376 179.3824 70 F 4.1975 8.2366 120.0222 61.2166 39.4897 176.2253 71 N 4.4773 8.1191 112.9902 52.6632 38.6626 174.4339 72 D 4.5752 7.1844 121.0132 52.3382 41.2714 174.5498 73 P 4.3690 0.0000 0.0000 64.5413 31.6687 176.9958 74 Q 4.6817 8.4144 118.3163 55.1171 29.2920 176.1770 75 R 4.0532 7.8604 113.2122 56.2382 30.7686 175.3421 76 H 4.9174 8.4159 116.8241 54.0882 30.0008 175.8857 77 S 4.1891 8.8519 120.7783 61.3861 62.3536 176.4434 78 A 3.9981 7.9793 124.1372 55.1305 18.3217 178.9837 79 D 4.3172 8.2159 117.4246 57.6727 40.9378 179.3121 80 V 3.6261 7.7641 118.1429 65.7298 31.4825 177.8277 81 K 3.9555 8.1654 119.5020 59.4486 32.0853 178.6654 82 R 3.8972 8.2780 119.2695 59.7329 29.9809 178.7184 83 R 4.0713 8.0025 117.3511 59.5370 30.0012 179.2756 84 T 4.1599 8.0345 115.7511 66.6842 68.4937 176.9497 85 L 4.0981 8.3232 121.1414 57.5512 41.7142 179.4197 86 E 3.9575 8.2717 118.9046 59.2932 29.4183 179.2398 87 K 3.8086 8.0557 119.6537 59.2392 32.0419 179.0984 88 V 3.5151 7.7399 118.6276 65.6517 31.4679 177.7206 89 A 3.9648 7.9165 120.5754 55.3025 18.1361 179.3443 90 E 3.8963 7.9738 116.5334 59.8191 29.4825 179.7635 91 I 3.6929 7.7115 119.6399 64.2868 37.0096 178.3776 92 E 3.9431 8.2803 119.5806 59.4922 29.2824 179.6087 93 R 3.8989 8.0534 118.0360 59.4810 30.1487 178.5417 94 H 4.1638 8.5033 118.2695 59.3732 29.8441 177.3734 95 I 3.6885 8.0585 121.7929 64.4309 36.9548 178.1838 96 E 3.9878 8.3966 119.5380 59.3847 29.2643 179.3107 97 E 3.9458 8.3740 118.5046 59.6208 29.5941 179.4724 98 L 4.0576 8.0074 118.7876 57.8947 41.5805 179.7544 99 Q 3.9794 8.2444 118.1893 58.9235 28.5030 178.5722 100 S 4.1062 8.0840 114.2464 61.5794 62.3962 176.2104 101 M 4.0763 8.1392 121.5719 58.2434 31.7511 178.6425 102 R 3.9127 8.1969 119.0172 59.4816 30.1349 178.3827 103 D 4.3403 8.2886 118.7817 57.3253 40.8460 178.4480 104 Q 3.9446 7.8399 120.1491 59.2989 28.9849 178.4327 105 L 4.0344 8.0123 119.9656 57.7388 41.5331 179.5103 106 L 3.9990 8.0937 118.8543 57.3316 41.4744 179.4200 107 A 3.9489 8.2815 121.1730 55.1886 18.1928 179.4668 108 L 3.8943 7.7603 115.7835 58.1202 41.8092 179.4693 109 A 4.1355 8.1228 119.6145 55.0369 18.5432 179.1486 110 N 4.4162 8.4222 115.0923 56.4656 38.5512 177.1753 111 A 4.0908 7.7142 117.9395 52.6365 18.7247 176.3874 112 C 4.7919 7.3198 118.4421 57.0035 34.4067 172.3631 113 P 4.8491 0.0000 0.0000 62.6255 30.7924 178.2636 114 G 3.9362 8.1490 98.8609 43.3246 0.0000 173.9852 *120 C 4.2057 7.6918 117.5298 58.4840 32.8499 170.7951 121 P 4.2603 0.0000 0.0000 65.9793 31.0509 177.7571 122 I 3.6420 7.9288 117.5974 65.0209 36.4358 178.0311 123 I 3.6842 7.5793 119.2142 64.6089 37.0278 177.9864 124 E 3.9690 7.8681 118.6680 59.3970 29.5138 178.1515 125 N 4.5894 8.1885 114.4609 54.8287 38.9735 176.6543 126 L 4.3123 7.5441 118.8527 55.5112 42.0368 176.8414 127 S 4.3252 7.5582 117.4520 58.2537 63.0396 173.7486 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 8.15 4.46 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 2 N 8.24 5.33 0.00 3.03 3.00 0.00 0.00 6.96 6.39 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 3 I 9.17 3.45 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.15 0.95 0.00 0.00 4 S 8.14 4.09 0.00 4.08 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 5 D 8.39 4.33 0.00 2.69 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 6 V 7.56 3.51 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.55 0.00 0.00 7 A 7.87 3.97 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 8 K 7.86 3.84 0.00 1.85 1.89 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.67 7.81 9 I 8.03 3.91 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 1.57 0.63 0.90 0.00 0.00 10 T 8.05 4.33 4.21 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 1.18 0.00 0.00 11 G 8.42 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 12 L 7.67 4.85 0.00 1.64 1.62 1.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.06 4.31 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 1.19 0.00 0.00 14 S 8.62 4.11 0.00 3.88 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 15 K 8.12 3.81 0.00 1.75 1.75 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.43 7.81 16 A 7.86 3.76 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 17 I 7.82 3.83 2.03 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 1.43 1.11 0.91 0.00 0.00 18 R 8.31 4.02 0.00 2.07 1.98 0.00 3.30 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 19 F 8.17 4.02 0.00 3.14 2.82 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 20 Y 8.08 4.26 0.00 3.22 2.94 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 21 E 8.10 3.97 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 22 E 8.01 3.90 0.00 2.03 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 2.30 0.00 23 K 7.69 4.12 0.00 1.63 1.72 0.00 1.61 0.00 0.00 1.31 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.63 0.93 7.81 24 G 7.74 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 25 L 7.96 4.20 0.00 1.86 1.74 1.06 0.62 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 26 V 7.33 4.66 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 0.74 0.00 0.00 1.06 0.00 0.00 27 T 9.81 4.01 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 1.25 0.00 0.00 28 P 0.00 4.35 0.00 2.15 2.07 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 29 P 0.00 4.05 0.00 1.36 1.08 0.00 3.77 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 1.82 2.01 0.00 30 M 8.28 4.43 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 31 R 8.30 5.17 0.00 1.61 1.75 0.00 3.14 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 32 S 8.49 4.63 0.00 3.93 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 33 E 8.89 4.06 0.00 1.95 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 2.32 2.40 0.00 34 N 8.12 4.44 0.00 2.76 2.88 0.00 0.00 7.12 7.65 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 35 G 8.34 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 7.20 4.94 0.00 3.02 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.64 4.76 0.00 1.81 1.64 0.00 3.27 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 38 T 8.58 5.04 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 1.26 0.00 0.00 39 Y 9.11 5.10 0.00 2.82 2.97 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 40 T 8.58 4.79 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 1.28 0.00 0.00 41 Q 8.82 3.95 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 42 Q 7.91 4.03 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 43 H 8.43 4.37 0.00 3.57 3.61 0.00 5.68 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 44 L 7.87 4.00 0.00 1.80 1.74 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.49 4.19 0.00 2.91 2.68 0.00 0.00 7.04 7.91 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 46 E 8.00 3.69 0.00 2.19 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 2.44 2.59 0.00 47 L 8.01 3.85 0.00 1.71 1.68 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.95 3.76 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 1.16 0.00 0.00 49 L 7.75 3.75 0.00 1.33 1.59 0.74 0.51 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 50 L 7.68 3.73 0.00 1.74 1.32 0.72 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.20 3.87 0.00 1.87 2.01 0.00 3.37 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 52 Q 8.22 4.08 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 53 A 8.12 4.23 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 54 R 7.95 4.46 0.00 2.08 2.07 0.00 3.39 0.00 0.00 3.36 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.83 0.00 55 Q 8.05 4.12 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.16 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 56 V 7.33 4.18 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 0.84 0.00 0.00 1.26 0.00 0.00 57 G 7.84 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.40 4.38 0.00 3.28 2.98 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 59 N 9.29 5.06 0.00 3.05 3.04 0.00 0.00 6.85 7.33 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 60 L 8.48 4.07 0.00 1.83 1.88 1.23 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.34 3.95 0.00 2.07 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 2.46 0.00 62 E 9.05 4.18 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 63 S 8.41 4.09 0.00 4.08 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 64 G 8.47 3.56 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 0.00 0.00 0.00 65 E 8.22 3.99 0.00 2.17 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 2.68 0.00 66 L 7.79 3.94 0.00 1.68 1.52 -0.16 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.49 3.63 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 1.18 0.00 0.00 0.86 0.00 0.00 68 N 8.02 4.32 0.00 2.95 2.86 0.00 0.00 7.09 7.39 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 69 L 8.26 4.11 0.00 1.83 1.73 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.24 4.20 0.00 3.01 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 71 N 8.12 4.48 0.00 2.72 2.79 0.00 0.00 6.98 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 72 D 7.18 4.58 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.37 0.00 2.03 2.03 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 74 Q 8.41 4.68 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 75 R 7.86 4.05 0.00 1.90 2.14 0.00 3.01 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 76 H 8.42 4.92 0.00 3.43 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.85 4.19 0.00 4.06 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 78 A 7.98 4.00 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 79 D 8.22 4.32 0.00 2.87 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 80 V 7.76 3.63 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.94 0.00 0.00 81 K 8.17 3.96 0.00 1.98 1.96 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.47 7.81 82 R 8.28 3.90 0.00 1.93 2.10 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.70 0.00 83 R 8.00 4.07 0.00 2.19 2.15 0.00 3.19 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 84 T 8.03 4.16 4.45 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 0.00 0.00 0.00 1.31 0.00 0.00 85 L 8.32 4.10 0.00 1.70 1.73 0.94 1.20 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 86 E 8.27 3.96 0.00 2.23 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 87 K 8.06 3.81 0.00 1.61 1.77 0.00 0.95 0.00 0.00 1.26 0.00 0.00 2.60 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 1.03 7.81 88 V 7.74 3.52 2.24 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 nan 0.00 0.00 1.00 0.00 0.00 89 A 7.92 3.96 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 90 E 7.97 3.90 0.00 2.17 1.97 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 2.30 2.33 0.00 91 I 7.71 3.69 1.96 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 1.46 0.84 0.87 0.00 0.00 92 E 8.28 3.94 0.00 2.21 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 0.00 2.51 2.49 0.00 93 R 8.05 3.90 0.00 2.03 1.97 0.00 3.12 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 94 H 8.50 4.16 0.00 3.27 3.42 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.06 3.69 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.84 0.90 0.00 0.00 96 E 8.40 3.99 0.00 2.15 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 2.33 2.65 0.00 97 E 8.37 3.95 0.00 2.24 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 2.33 2.59 0.00 98 L 8.01 4.06 0.00 1.83 1.71 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.24 3.98 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 100 S 8.08 4.11 0.00 3.90 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 0.00 101 M 8.14 4.08 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.54 0.00 102 R 8.20 3.91 0.00 1.99 2.08 0.00 3.25 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 103 D 8.29 4.34 0.00 2.76 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 0.00 104 Q 7.84 3.94 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 105 L 8.01 4.03 0.00 1.89 1.70 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.09 4.00 0.00 1.92 1.71 0.92 0.68 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 0.00 107 A 8.28 3.95 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 0.00 108 L 7.76 3.89 0.00 1.80 1.76 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.12 4.14 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 0.00 110 N 8.42 4.42 0.00 2.90 2.87 0.00 0.00 6.88 8.20 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 0.00 111 A 7.71 4.09 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 C 7.32 4.79 0.00 2.94 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 0.00 113 P 0.00 4.85 0.00 2.21 1.87 0.00 3.81 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 1.93 1.94 0.00 114 G 8.15 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 *120 C 7.69 4.21 0.00 3.03 2.91 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 0.00 121 P 0.00 4.26 0.00 2.19 2.09 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.18 0.00 122 I 7.93 3.64 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 1.64 0.96 0.91 0.00 0.00 123 I 7.58 3.68 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 1.52 1.12 0.91 0.00 0.00 124 E 7.87 3.97 0.00 2.13 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 0.00 2.32 2.36 0.00 125 N 8.19 4.59 0.00 2.80 2.85 0.00 0.00 7.09 7.38 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 0.00 126 L 7.54 4.31 0.00 1.76 1.71 0.92 0.95 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 0.00 127 S 7.56 4.33 0.00 3.97 3.78 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.