NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6755 8.2227 120.3430 52.7743 41.1439 175.9922 6 L 3.7434 8.5099 121.6055 57.5851 41.9337 174.0662 7 V 3.5888 7.9605 117.9241 65.9517 31.7244 177.2278 8 K 3.8241 8.6740 118.5443 59.7037 32.0588 178.6012 9 T 3.9665 7.6597 115.1669 66.5738 68.7779 176.3121 10 L 3.8544 8.1812 121.2516 57.4645 41.5622 181.0672 11 R 3.8452 7.7865 117.9674 56.1765 29.7896 178.5346 *13 N 4.5797 8.1785 117.9065 53.5657 40.6544 175.8559 14 Y 4.3175 7.0530 114.9010 60.6454 38.2839 177.4425 15 L 4.5150 8.2630 119.3933 56.2936 41.8449 178.6777 16 F 4.0527 8.4370 120.9973 61.7817 39.0060 176.8392 17 D 4.1924 8.1765 115.8505 56.9715 40.5979 178.1385 18 F 4.0209 7.6978 117.4147 58.9946 39.3386 176.3982 19 Y 4.6692 7.3418 113.1509 57.1777 39.1201 177.1436 20 Q 3.6842 7.8886 120.5741 59.1541 28.0987 178.6890 21 S 4.1891 7.7542 114.1459 60.3473 63.2007 175.4241 22 L 4.1932 7.7497 121.5442 55.1905 41.8625 176.8796 23 L 4.5616 6.9684 118.9514 53.8546 42.7882 177.1387 24 T 4.2209 8.7211 112.3247 61.1169 70.8875 175.6048 25 N 4.2170 8.4816 118.4808 56.3159 38.4676 177.5040 26 K 3.2641 7.6868 120.2400 59.3907 32.3333 178.5171 27 Q 4.1160 7.7752 119.5371 58.3106 28.5424 179.0590 28 R 4.0272 8.2169 119.8316 59.6269 30.1479 178.3484 29 N 4.7968 8.1735 117.7951 56.1573 38.5283 177.1106 30 Y 4.3916 8.0556 118.3312 60.9900 37.8717 178.2953 31 L 4.2476 8.3209 121.3779 58.1482 42.1321 178.7297 32 E 3.7676 8.6057 118.8084 59.5365 29.4511 179.4347 33 L 3.7312 8.1152 118.8831 57.5640 41.1462 179.4830 34 F 4.1839 8.4471 120.4773 61.3468 39.2427 176.6978 35 Y 4.0877 8.0733 114.1907 59.1909 38.2989 176.5943 36 L 4.3527 7.8875 117.9204 55.4138 42.7557 176.8989 37 E 4.5644 8.0176 114.9671 55.2656 30.2367 175.3991 38 D 4.3560 7.5330 117.1310 55.4146 38.9720 173.6967 39 Y 4.3218 8.4469 116.1426 57.6123 38.9057 176.5387 40 S 4.6749 9.3110 118.5083 57.5300 65.6883 175.5059 41 L 4.0322 8.5554 121.9383 58.2551 41.3742 180.0377 42 S 4.1449 8.0756 114.5224 61.5646 62.7396 176.4756 43 E 4.0372 8.2426 121.2616 59.4220 29.2631 179.4596 44 I 3.7819 8.0716 119.7083 64.3334 37.1020 178.3182 45 A 4.0188 8.3431 122.0321 55.2186 17.7748 179.1913 46 D 4.3099 8.3048 116.5540 57.5191 41.0685 178.5724 47 T 3.7759 7.9137 115.8137 65.8930 68.4999 175.6257 48 F 4.7605 7.8319 115.7579 55.8504 40.6671 175.4236 49 N 4.2247 7.7373 114.8873 54.4738 36.0987 172.5721 50 V 4.5847 8.1676 109.8411 58.3876 36.7821 176.5518 51 S 4.1792 8.4671 114.9551 58.5231 63.2122 174.5712 52 R 3.8793 8.6539 128.8882 59.5297 29.8297 178.3227 53 Q 3.9213 8.0319 118.7935 59.0928 29.1477 177.8357 54 A 4.0238 7.9523 121.4777 55.0086 18.2852 179.8580 55 V 3.3297 7.8578 116.8153 66.1392 31.5103 177.4839 56 Y 3.8341 8.0940 119.3923 60.9764 38.6388 178.0074 57 D 4.2844 8.5760 119.9798 57.2341 40.3849 178.3768 58 N 4.3197 8.3763 117.6376 56.8358 38.9686 177.0978 59 I 3.7862 7.9889 121.6132 64.1528 37.0831 178.4262 60 R 3.7009 7.8918 119.8605 59.5100 29.8829 178.8556 61 R 3.9001 7.9281 117.7940 59.5439 29.9326 179.2867 62 T 3.9853 8.2834 115.9654 66.4214 68.5785 177.0771 63 G 3.6107 8.4650 108.1016 47.9675 0.0000 175.5232 64 D 4.3166 7.9177 120.8982 56.8002 40.7363 178.5668 65 L 3.5977 7.8388 120.9373 58.0425 42.0832 179.2525 66 V 3.5561 7.8630 118.3103 66.1015 31.4455 177.8786 67 E 3.9610 7.9883 117.9680 59.3020 29.2403 178.8377 68 D 4.2069 7.9828 118.2712 57.3888 41.1967 177.8434 69 Y 4.1670 7.6102 117.4657 61.0568 37.7345 178.3065 70 E 4.1327 7.8817 120.2026 59.0636 29.5192 178.7408 71 K 3.9693 8.0337 119.1345 59.2700 32.2890 178.5518 72 K 4.2027 8.0061 117.9152 58.3561 32.3100 178.3060 73 L 4.5881 8.3507 117.2715 53.3480 43.4517 176.3150 74 E 4.1726 8.4419 117.4135 57.1221 28.0150 177.0974 75 L 3.9114 8.1951 120.4156 57.9070 41.5869 178.4131 76 Y 2.9575 8.0315 119.4253 60.3337 38.7888 177.4422 77 Q 3.5746 8.2631 120.4417 59.2468 29.0306 178.6939 78 K 3.9226 8.2315 119.6434 59.1545 31.9658 179.1060 79 F 3.9820 8.2429 121.1122 61.4706 39.3375 177.1407 80 E 3.7836 8.2769 118.1034 59.1620 29.1415 179.3624 81 Q 3.8419 7.8174 118.4042 58.7412 28.6430 178.7940 82 R 3.3821 7.8496 119.3896 58.8870 30.0015 178.8981 83 R 3.5573 7.4981 118.7014 59.4637 29.9146 178.4565 84 E 3.8656 7.8308 118.2049 59.3207 29.1896 179.4160 85 I 3.4562 7.1655 118.9684 64.4301 37.1944 177.6862 86 Y 4.4530 7.4126 116.8163 61.3823 37.7580 178.2902 87 D 4.5349 7.8880 118.7781 56.8969 41.2470 178.7517 88 E 4.0787 7.9897 119.6892 56.2564 29.4286 178.8241 *90 K 4.2320 8.0812 119.0651 56.2354 34.0777 176.8090 91 Q 4.4173 7.9005 115.9618 56.3601 29.1889 175.5241 92 H 5.0588 7.6156 115.8938 55.1055 30.1011 175.1527 93 L 4.1094 8.3709 120.6277 57.1883 41.6346 178.3848 94 S 4.7057 8.0413 113.0134 58.0295 63.2739 173.9781 95 N 4.8547 8.0881 121.9919 50.3174 38.5945 172.7731 96 P 4.2580 0.0000 0.0000 65.5396 31.6983 177.5944 97 E 3.9392 8.1094 116.4565 59.3756 29.4225 179.1131 98 Q 3.7081 8.2075 119.3943 59.0972 29.1347 178.2416 99 I 3.9430 8.0697 121.1926 64.4146 37.1673 178.1395 100 Q 3.9943 8.2507 120.4802 59.3154 28.8802 178.6525 101 R 3.8789 7.7498 119.0021 59.4037 29.9903 178.6839 102 Y 4.3755 7.8593 116.6088 61.0979 37.7451 178.4875 103 I 3.7997 8.0735 120.9488 64.3281 37.1946 178.2193 104 Q 4.1268 8.1031 120.4169 59.3025 28.6529 178.3099 105 Q 4.0362 7.9145 118.0923 58.9871 29.1196 178.5603 106 L 4.1334 8.1219 120.0516 57.8994 41.5452 179.4529 107 E 4.0497 8.5748 118.8230 59.3780 29.1531 178.9178 108 D 4.3586 8.0283 117.6759 56.4627 40.9174 178.2929 109 L 4.1648 7.4929 119.3860 57.4176 41.8097 176.6857 110 E 4.1558 7.6114 121.4613 56.6114 29.3906 176.5466 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 5 D 8.22 4.68 0.00 2.89 2.93 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 6 L 8.51 3.74 0.00 1.88 1.73 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.96 3.59 2.25 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 1.08 0.00 0.00 0.96 0.00 0.00 8 K 8.67 3.82 0.00 1.91 1.92 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.16 7.81 9 T 7.66 3.97 4.42 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 1.24 0.00 0.00 10 L 8.18 3.85 0.00 1.64 1.40 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.79 3.85 0.00 1.83 2.01 0.00 3.61 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.89 0.00 *13 N 8.18 4.58 0.00 2.58 2.78 0.00 0.00 7.18 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.05 4.32 0.00 2.43 1.69 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 15 L 8.26 4.52 0.00 1.86 2.12 1.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.44 4.05 0.00 3.17 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 17 D 8.18 4.19 0.00 2.20 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 0.00 0.00 0.00 0.00 18 F 7.70 4.02 0.00 2.41 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 19 Y 7.34 4.67 0.00 3.02 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 20 Q 7.89 3.68 0.00 1.53 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 1.75 2.04 0.00 21 S 7.75 4.19 0.00 3.97 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 22 L 7.75 4.19 0.00 1.60 1.63 0.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 23 L 6.97 4.56 0.00 1.74 1.60 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.72 4.22 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 1.23 0.00 0.00 25 N 8.48 4.22 0.00 2.66 2.83 0.00 0.00 6.43 8.13 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 26 K 7.69 3.26 0.00 1.47 1.47 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.38 0.39 7.81 27 Q 7.78 4.12 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.16 0.00 28 R 8.22 4.03 0.00 1.97 2.07 0.00 3.26 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 2.01 1.80 0.00 29 N 8.17 4.80 0.00 2.64 2.94 0.00 0.00 6.57 8.16 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 30 Y 8.06 4.39 0.00 2.89 2.90 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 31 L 8.32 4.25 0.00 2.19 2.07 1.25 1.05 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 32 E 8.61 3.77 0.00 2.23 1.89 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 1.96 2.68 0.00 33 L 8.12 3.73 0.00 1.72 1.46 1.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.45 4.18 0.00 3.07 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 35 Y 8.07 4.09 0.00 3.22 2.93 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 36 L 7.89 4.35 0.00 1.63 1.56 0.80 -0.14 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 37 E 8.02 4.56 0.00 2.06 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 2.23 2.28 0.00 38 D 7.53 4.36 0.00 2.64 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 39 Y 8.45 4.32 0.00 2.97 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 40 S 9.31 4.67 0.00 4.04 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 41 L 8.56 4.03 0.00 1.75 1.76 1.06 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.08 4.14 0.00 3.87 3.92 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 43 E 8.24 4.04 0.00 2.33 2.10 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 2.28 2.33 0.00 44 I 8.07 3.78 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.32 0.79 0.00 0.00 45 A 8.34 4.02 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 46 D 8.30 4.31 0.00 2.95 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.91 3.78 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 0.45 0.00 0.00 48 F 7.83 4.76 0.00 3.17 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 7.74 4.22 0.00 2.92 2.88 0.00 0.00 6.66 7.34 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 50 V 8.17 4.58 2.16 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 0.84 0.00 0.00 1.07 0.00 0.00 51 S 8.47 4.18 0.00 3.90 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 52 R 8.65 3.88 0.00 1.90 1.89 0.00 3.23 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 53 Q 8.03 3.92 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.69 0.00 54 A 7.95 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.86 3.33 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 0.65 0.00 0.00 0.55 0.00 0.00 56 Y 8.09 3.83 0.00 3.02 3.06 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 57 D 8.58 4.28 0.00 2.89 2.73 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 58 N 8.38 4.32 0.00 2.98 3.17 0.00 0.00 7.21 7.37 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 59 I 7.99 3.79 1.47 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.62 0.60 0.00 0.00 60 R 7.89 3.70 0.00 1.26 1.80 0.00 3.00 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 61 R 7.93 3.90 0.00 2.01 1.92 0.00 3.15 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 62 T 8.28 3.99 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 63 G 8.47 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 7.92 4.32 0.00 2.79 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 65 L 7.84 3.60 0.00 1.66 1.71 0.35 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.86 3.56 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 1.11 0.00 0.00 1.10 0.00 0.00 67 E 7.99 3.96 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 68 D 7.98 4.21 0.00 2.74 2.47 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 69 Y 7.61 4.17 0.00 2.24 1.76 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 70 E 7.88 4.13 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 71 K 8.03 3.97 0.00 1.75 1.96 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.52 7.81 72 K 8.01 4.20 0.00 1.90 1.89 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.56 7.81 73 L 8.35 4.59 0.00 1.86 1.82 1.03 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.44 4.17 0.00 2.18 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 2.33 2.28 0.00 75 L 8.20 3.91 0.00 1.33 1.56 0.91 0.79 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 76 Y 8.03 2.96 0.00 2.54 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.26 3.57 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 78 K 8.23 3.92 0.00 1.88 1.80 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.52 7.81 79 F 8.24 3.98 0.00 3.34 3.22 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 80 E 8.28 3.78 0.00 1.77 1.75 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 2.26 1.81 0.00 81 Q 7.82 3.84 0.00 2.08 2.00 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 2.25 2.50 0.00 82 R 7.85 3.38 0.00 1.53 1.14 0.00 3.15 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.61 0.00 83 R 7.50 3.56 0.00 1.36 1.80 0.00 3.13 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 1.53 1.59 0.00 84 E 7.83 3.87 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 85 I 7.17 3.46 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 1.44 0.42 0.81 0.00 0.00 86 Y 7.41 4.45 0.00 2.96 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 87 D 7.89 4.53 0.00 2.74 2.68 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 88 E 7.99 4.08 0.00 1.60 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 *90 K 8.08 4.23 0.00 1.92 1.89 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.68 7.81 91 Q 7.90 4.42 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.43 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 92 H 7.62 5.06 0.00 3.32 3.31 0.00 5.63 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.37 4.11 0.00 1.64 1.75 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.04 4.71 0.00 3.85 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.09 4.85 0.00 2.74 2.80 0.00 0.00 7.19 7.28 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 96 P 0.00 4.26 0.00 2.19 2.11 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 97 E 8.11 3.94 0.00 1.93 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 2.38 2.28 0.00 98 Q 8.21 3.71 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 99 I 8.07 3.94 2.05 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.05 0.98 0.00 0.00 100 Q 8.25 3.99 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 101 R 7.75 3.88 0.00 1.73 1.73 0.00 2.99 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 102 Y 7.86 4.38 0.00 3.21 2.93 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 0.00 103 I 8.07 3.80 2.05 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 1.48 1.03 0.95 0.00 0.00 104 Q 8.10 4.13 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 105 Q 7.91 4.04 0.00 2.39 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 106 L 8.12 4.13 0.00 1.93 1.76 1.12 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.57 4.05 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 2.35 2.60 0.00 108 D 8.03 4.36 0.00 2.81 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 0.00 109 L 7.49 4.16 0.00 1.86 1.69 0.81 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 110 E 7.61 4.16 0.00 2.08 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 2.37 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.