NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 4.2408 8.3049 120.3003 55.3388 33.5595 178.1264 6 F 4.8871 8.6503 119.6684 55.1000 38.8768 172.4758 7 D 4.9136 8.6583 121.0611 53.7437 42.5777 177.3680 8 S 5.3228 8.2038 114.7030 56.7613 66.3769 172.9594 9 I 5.0491 9.5161 124.0022 59.3585 41.4194 174.2214 10 L 4.5050 8.8100 128.5936 52.9528 43.9322 175.3088 11 V 4.3224 8.5533 127.9536 62.7208 33.0297 174.8830 12 I 5.5282 9.1921 127.8755 58.4661 40.8786 173.1483 13 C 4.2309 8.2784 123.0760 58.4392 32.8313 173.6131 14 T 4.2354 8.7813 109.4527 65.4142 68.6350 176.9616 15 G 3.4553 7.8782 108.5479 45.8351 0.0000 172.5892 16 N 4.1827 8.4034 116.8933 53.7456 37.3703 174.1439 17 I 4.5807 7.5649 107.4401 59.6677 39.3441 174.8175 18 C 4.7425 7.2843 116.8292 61.0693 30.7065 175.9751 19 R 3.8949 7.6845 120.8783 59.4362 30.3111 178.7305 20 S 3.8840 7.7433 113.3768 61.0679 62.7879 174.6649 21 P 4.1989 0.0000 0.0000 65.3670 31.0431 178.5007 22 I 3.7946 7.3298 117.6018 64.3391 37.0408 178.4701 23 G 3.5432 7.7799 106.4256 47.8344 0.0000 174.7606 24 E 3.9531 8.3454 122.0787 59.3658 29.4704 178.9935 25 R 4.1953 7.5424 114.6236 57.7358 30.6770 178.5422 26 L 4.1717 8.0121 120.1649 57.6805 41.7022 178.9533 27 L 4.0453 8.4039 118.9085 58.0736 41.5187 179.7119 28 R 3.6399 8.4157 118.9355 58.6545 29.7201 177.6758 29 R 4.5844 7.6841 112.7122 56.3101 29.9122 177.0350 30 L 4.6173 7.7076 119.4874 54.8096 44.8503 176.5410 31 L 4.8105 8.4171 119.4189 52.2083 41.2795 175.4057 32 P 4.6077 0.0000 0.0000 64.0725 31.9426 177.8507 33 S 4.5285 7.9422 110.7294 58.5828 63.9556 174.2001 34 K 4.5396 7.8752 120.6314 55.2099 33.8570 176.9349 35 K 4.3126 9.3351 124.8428 56.0156 32.6368 175.3931 36 I 5.0203 8.3440 128.5286 59.7510 39.3339 174.7198 37 N 5.3343 8.9615 124.0281 51.5575 43.3223 173.1013 38 S 5.6222 8.6149 112.2117 56.7402 66.6256 172.6810 39 A 4.8414 8.1615 120.5530 51.2831 22.7628 175.1119 40 G 4.3400 9.1481 106.0950 44.4921 0.0000 174.4731 41 V 3.7759 8.6102 123.1382 63.9166 32.5081 176.3359 42 G 4.3530 7.8600 107.2461 45.1611 0.0000 172.9172 43 A 4.3741 7.9480 120.1004 51.8030 20.0471 180.0057 44 L 4.1224 8.4120 122.2160 52.9021 40.3120 175.8646 45 V 3.8818 7.8386 121.7196 64.3263 31.9881 176.0262 46 D 4.6010 8.7163 125.0510 54.9337 39.3673 173.7567 47 H 4.6809 7.9682 117.0246 55.0954 30.1602 175.0437 48 A 4.9292 8.7561 122.7315 50.5644 19.4917 177.1643 49 A 4.2406 8.6216 120.9702 51.9122 19.3144 177.3635 50 D 4.4252 8.9836 120.4800 54.8654 41.9740 177.1223 51 E 3.9373 9.1464 126.2664 60.1150 29.8951 179.7437 52 S 3.8960 8.0351 113.7792 61.2966 62.5443 176.3597 53 A 4.2911 7.9174 121.7346 55.5964 18.2652 179.3318 54 I 3.8570 7.7542 116.8737 63.8347 38.4967 177.8761 55 R 4.3087 7.4468 119.5345 53.7100 27.7901 174.7759 56 V 3.9631 7.2776 125.0174 61.7618 34.5462 173.4934 *62 L 4.1941 7.8100 118.6947 55.1868 41.3365 175.3754 63 C 4.9554 8.2526 113.8261 56.3600 32.0236 174.3059 64 L 3.9689 8.6934 120.7611 56.4286 41.7486 177.0393 65 K 4.0047 8.8242 112.7898 58.7329 29.7722 173.5610 66 G 3.9883 7.9835 118.3575 46.1544 0.0000 170.6933 67 H 4.7049 7.8774 117.0719 55.3761 31.6147 174.7442 68 R 4.8864 8.1769 121.5317 53.7636 32.2138 175.3490 69 G 3.9123 8.9841 110.0802 47.5802 0.0000 172.2251 70 T 5.0601 9.2429 120.1226 61.2090 72.3576 173.3347 71 K 4.5613 8.7387 128.1349 56.1977 33.1437 175.9394 72 F 4.5926 8.9954 130.7516 58.1718 40.2971 174.5405 73 T 4.5061 7.3396 114.4937 58.7246 72.4977 174.9182 74 S 3.9206 8.3737 116.2722 61.4732 62.8585 176.2210 75 A 3.9614 7.7986 122.9919 54.6235 18.3462 178.9728 76 L 4.0485 7.6688 118.2343 58.2632 42.1560 178.9319 77 A 4.2347 7.6512 120.4756 55.2449 18.1247 179.2933 78 R 4.1230 7.7779 113.9048 57.9220 30.1430 177.2877 79 Q 4.3585 7.8475 116.9972 55.5896 29.3176 174.9579 80 Y 4.8117 7.8789 115.8588 56.1898 41.3474 175.3944 81 D 4.7006 9.2057 124.2691 56.4633 41.9156 176.7771 82 L 5.0231 8.3755 119.3406 53.0739 45.8284 175.3684 83 L 5.0806 8.9719 125.7596 53.0049 44.6388 175.2464 84 L 4.9509 8.5267 124.6992 53.1931 43.8001 176.7107 85 V 4.7979 8.3315 117.1647 59.5795 34.3654 176.5932 86 M 3.9743 8.3168 119.9250 56.4813 33.6456 176.5497 87 E 5.0979 8.2684 118.6174 54.8149 33.2936 177.0779 *88 Y 4.0283 9.1104 119.9508 59.7631 37.3184 179.8074 89 S 4.1353 8.0525 112.9457 61.9992 62.3751 175.7733 90 H 4.3190 7.7809 118.8289 58.5925 28.3272 177.6957 91 L 3.9231 7.5756 120.6589 57.9533 41.6494 179.2784 92 E 4.0677 7.9743 119.9028 58.7260 29.6315 178.6372 93 Q 4.1256 7.9145 118.2846 58.8866 28.7472 178.7190 94 I 3.8195 7.9476 121.3092 64.2902 37.0491 178.5621 95 S 4.5256 8.3120 115.0325 60.3052 62.6296 175.6590 96 R 4.5342 7.4452 116.4163 56.6338 30.3960 177.7888 97 I 4.2726 7.7445 120.0359 62.5865 38.9525 176.2472 98 A 4.6741 8.5747 123.7707 48.6747 19.8644 174.2227 99 P 4.5068 0.0000 0.0000 64.7595 31.4605 177.7731 100 E 4.0586 8.2517 114.7255 58.6892 29.8375 177.9829 101 A 4.4572 7.9585 120.2377 52.6763 19.3396 178.6800 102 R 3.9686 7.8932 117.7244 59.5930 29.7996 178.5616 103 G 3.7800 8.1783 104.2181 46.8384 0.0000 173.8132 104 K 4.6586 8.1168 119.5537 56.9035 33.2989 175.6537 105 T 4.9395 7.6416 115.8608 63.0516 70.8318 173.3280 106 M 4.9280 8.7189 125.0890 53.3705 37.0652 174.0072 107 L 4.7127 8.4115 119.2418 54.4541 41.9832 177.6537 108 F 3.9950 9.7662 127.1980 59.7637 40.2280 175.8826 109 G 4.2463 7.8720 108.0078 45.1593 0.0000 174.3466 110 H 3.9152 7.9278 119.7346 57.0033 30.3614 174.0765 111 W 4.9939 7.1383 118.4671 56.5177 31.1023 175.7869 112 L 3.6122 8.6451 120.7977 56.1533 39.3932 174.4931 113 D 4.5740 7.1615 117.7893 53.2208 41.8953 174.3099 114 S 3.8893 7.9908 120.2586 57.3130 62.6885 173.5423 115 K 4.4027 7.9684 119.3358 56.9391 32.7537 177.1392 116 E 4.3771 8.7229 123.2676 56.1093 30.9464 176.0218 117 I 4.2285 8.2673 123.9076 59.6533 37.8928 174.5049 118 P 4.3042 0.0000 0.0000 62.3044 31.9135 175.3517 119 D 4.5272 8.3287 120.2823 53.1517 41.4257 174.6811 120 P 4.2039 0.0000 0.0000 63.5743 31.9400 175.5618 121 Y 4.3919 7.6986 118.9449 59.5238 38.8841 176.1537 122 R 3.6771 8.4338 124.2946 57.6233 27.5891 175.3617 123 M 4.9435 7.8453 115.1568 52.9561 36.4192 175.5781 124 S 4.4099 8.3815 114.0247 58.4547 63.7146 175.2064 125 D 4.5594 8.5850 120.6417 56.9270 40.4070 178.5116 126 E 3.9537 7.8300 120.4751 59.1348 29.5099 178.6598 127 A 4.0300 8.0657 120.9247 55.0973 18.3777 179.6800 128 F 3.9333 8.3356 115.8676 60.7842 38.8131 177.3776 129 D 4.4342 8.6096 118.9109 57.4112 40.7360 178.9617 130 S 4.1399 7.9855 113.1230 61.4196 62.5202 176.1016 131 V 3.5614 8.0634 121.3437 66.3623 31.1094 177.1133 132 Y 4.0215 8.3743 119.3179 60.8727 38.4897 178.0517 133 Q 4.0632 8.0722 120.0430 59.1334 29.1056 178.0980 134 L 4.0174 7.8323 119.5942 58.0314 41.7228 179.5645 135 L 4.2866 8.1573 121.1801 58.3334 41.5343 180.1904 136 E 3.9431 8.3571 121.0370 61.8188 29.7507 182.0857 137 Q 4.2034 8.4566 122.2343 60.0733 28.2178 180.2613 138 A 4.2677 8.4154 123.0914 55.1842 18.4125 179.5582 139 S 4.0185 8.3295 111.3238 61.6961 62.4994 176.6892 140 K 4.0645 8.0646 120.8292 59.5113 31.7720 179.5359 141 R 3.8662 8.1744 118.3874 59.1188 29.7400 179.2050 142 W 4.3676 8.2068 117.7131 59.6464 29.0491 178.1757 143 A 4.2356 8.2999 120.9036 55.0676 17.5677 179.5811 144 E 3.9248 8.0527 116.2040 59.3583 29.6724 178.7282 145 K 4.2471 7.4761 116.0662 56.2933 32.0410 176.2945 146 L 4.8988 7.4713 116.8718 54.4961 43.2741 176.4359 147 G 3.7659 7.9936 111.3867 45.5241 0.0000 173.0159 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 M 8.30 4.24 0.00 2.05 1.36 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 6 F 8.65 4.89 0.00 3.14 2.95 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 0.00 0.00 0.00 7 D 8.66 4.91 0.00 2.86 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 8 S 8.20 5.32 0.00 3.93 3.95 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 0.00 0.00 0.00 9 I 9.52 5.05 1.85 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 1.08 0.95 0.78 0.00 0.00 10 L 8.81 4.50 0.00 0.68 1.28 0.42 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.55 4.32 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 0.78 0.00 0.00 0.98 0.00 0.00 12 I 9.19 5.53 1.59 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.62 0.56 0.00 0.00 13 C 8.28 4.23 0.00 2.80 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 14 T 8.78 4.24 4.18 0.00 0.00 0.00 0.00 0.00 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 15 G 7.88 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.40 4.18 0.00 2.89 2.86 0.00 0.00 7.11 7.94 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 17 I 7.56 4.58 2.09 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.07 0.99 0.00 0.00 18 C 7.28 4.74 0.00 2.93 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 R 7.68 3.89 0.00 1.69 1.68 0.00 3.01 0.00 0.00 3.55 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 20 S 7.74 3.88 0.00 4.02 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 21 P 0.00 4.20 0.00 2.03 1.65 0.00 3.55 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 2.07 2.07 0.00 22 I 7.33 3.79 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.04 0.92 0.00 0.00 23 G 7.78 3.54 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 0.00 0.00 0.00 24 E 8.35 3.95 0.00 2.02 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 2.33 2.38 0.00 25 R 7.54 4.20 0.00 1.80 2.00 0.00 3.24 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 26 L 8.01 4.17 0.00 2.03 1.75 0.82 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.40 4.05 0.00 1.77 1.75 1.05 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.42 3.64 0.00 2.07 2.12 0.00 3.11 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 29 R 7.68 4.58 0.00 2.07 2.04 0.00 3.13 0.00 0.00 3.27 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.69 0.00 30 L 7.71 4.62 0.00 1.77 1.78 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.42 4.81 0.00 1.69 1.61 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.61 0.00 2.06 2.15 0.00 3.74 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 33 S 7.94 4.53 0.00 3.99 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 34 K 7.88 4.54 0.00 1.81 1.94 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.42 7.81 35 K 9.34 4.31 0.00 1.82 1.88 0.00 1.51 0.00 0.00 1.48 0.00 0.00 2.60 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.60 1.48 7.81 36 I 8.34 5.02 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.08 0.97 0.00 0.00 37 N 8.96 5.33 0.00 2.60 2.70 0.00 0.00 6.05 7.18 0.00 0.00 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 S 8.61 5.62 0.00 3.80 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 39 A 8.16 4.84 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 40 G 9.15 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 0.00 0.00 0.00 0.00 41 V 8.61 3.78 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 0.84 0.00 0.00 0.86 0.00 0.00 42 G 7.86 4.35 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 0.00 43 A 7.95 4.37 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 44 L 8.41 4.12 0.00 1.60 1.20 0.73 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.84 3.88 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 0.80 0.00 0.00 0.93 0.00 0.00 46 D 8.72 4.60 0.00 2.92 2.81 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 47 H 7.97 4.68 0.00 3.32 3.23 0.00 5.63 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 48 A 8.76 4.93 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 49 A 8.62 4.24 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 50 D 8.98 4.43 0.00 2.86 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 51 E 9.15 3.94 0.00 1.92 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 2.34 2.38 0.00 52 S 8.04 3.90 0.00 2.72 2.63 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 53 A 7.92 4.29 1.54 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 0.00 0.00 54 I 7.75 3.86 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.82 0.91 0.00 0.00 55 R 7.45 4.31 0.00 1.91 1.82 0.00 3.13 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 56 V 7.28 3.96 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 0.76 0.00 0.00 0.21 0.00 0.00 *62 L 7.81 4.19 0.00 1.85 1.83 1.08 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.25 4.96 0.00 3.07 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 64 L 8.69 3.97 0.00 1.73 1.78 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.82 4.00 0.00 1.81 2.00 0.00 1.96 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.39 7.81 66 G 7.98 3.99 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 0.00 0.00 0.00 67 H 7.88 4.70 0.00 3.44 3.20 0.00 5.72 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.18 4.89 0.00 1.77 1.81 0.00 3.10 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 69 G 8.98 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 70 T 9.24 5.06 4.38 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 1.22 0.00 0.00 71 K 8.74 4.56 0.00 1.76 1.71 0.00 1.90 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.52 7.81 72 F 9.00 4.59 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.34 4.51 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 1.13 0.00 0.00 74 S 8.37 3.92 0.00 4.21 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 75 A 7.80 3.96 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 76 L 7.67 4.05 0.00 1.71 1.62 1.09 1.01 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 77 A 7.65 4.23 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 78 R 7.78 4.12 0.00 1.97 1.98 0.00 3.14 0.00 0.00 3.40 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 79 Q 7.85 4.36 0.00 1.77 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.60 0.00 0.00 0.00 0.00 0.00 2.22 2.50 0.00 80 Y 7.88 4.81 0.00 2.96 2.86 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 81 D 9.21 4.70 0.00 2.93 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 82 L 8.38 5.02 0.00 1.80 1.45 0.76 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.97 5.08 0.00 1.77 1.46 1.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.53 4.95 0.00 1.55 1.52 -0.18 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.33 4.80 1.96 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 1.02 0.00 0.00 1.00 0.00 0.00 86 M 8.32 3.97 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 87 E 8.27 5.10 0.00 1.82 1.83 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 2.25 2.30 0.00 *88 Y 9.11 4.03 0.00 2.20 2.31 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 89 S 8.05 4.14 0.00 3.80 3.72 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 90 H 7.78 4.32 0.00 3.32 3.19 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.58 3.92 0.00 1.87 1.70 0.91 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 92 E 7.97 4.07 0.00 2.06 1.92 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 2.37 2.31 0.00 93 Q 7.91 4.13 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 94 I 7.95 3.82 1.98 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.53 0.96 0.00 0.00 95 S 8.31 4.53 0.00 4.09 4.14 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 0.00 0.00 0.00 96 R 7.45 4.53 0.00 2.05 2.08 0.00 3.06 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.66 0.00 97 I 7.74 4.27 2.11 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 1.04 0.00 0.00 98 A 8.57 4.67 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 99 P 0.00 4.51 0.00 2.19 2.15 0.00 3.91 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 100 E 8.25 4.06 0.00 2.14 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 0.00 2.31 2.34 0.00 101 A 7.96 4.46 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.89 3.97 0.00 1.98 2.08 0.00 3.16 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 103 G 8.18 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 0.00 0.00 0.00 104 K 8.12 4.66 0.00 2.26 2.15 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.57 7.81 105 T 7.64 4.94 4.35 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 1.17 0.00 0.00 106 M 8.72 4.93 0.00 1.74 1.93 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 107 L 8.41 4.71 0.00 1.55 1.60 0.98 0.78 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 0.00 108 F 9.77 4.00 0.00 2.97 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 0.00 109 G 7.87 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 0.00 110 H 7.93 3.92 0.00 3.08 1.49 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 W 7.14 4.99 0.00 3.10 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 0.00 112 L 8.65 3.61 0.00 1.68 1.64 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.16 4.57 0.00 2.61 2.48 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 0.00 114 S 7.99 3.89 0.00 3.87 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 0.00 115 K 7.97 4.40 0.00 1.67 1.78 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.52 7.81 116 E 8.72 4.38 0.00 2.15 1.93 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 2.25 2.32 0.00 117 I 8.27 4.23 1.81 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.47 0.84 0.00 0.00 118 P 0.00 4.30 0.00 1.99 1.95 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 119 D 8.33 4.53 0.00 2.77 2.57 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 0.00 0.00 0.00 120 P 0.00 4.20 0.00 0.78 1.20 0.00 3.53 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 1.70 1.76 0.00 121 Y 7.70 4.39 0.00 2.96 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 0.00 122 R 8.43 3.68 0.00 1.80 1.81 0.00 3.03 0.00 0.00 3.03 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 123 M 7.85 4.94 0.00 1.96 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.45 0.00 124 S 8.38 4.41 0.00 4.03 4.03 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 0.00 125 D 8.59 4.56 0.00 2.78 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 0.00 126 E 7.83 3.95 0.00 2.06 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 2.34 2.36 0.00 127 A 8.07 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 3.93 0.00 3.26 3.17 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 0.00 129 D 8.61 4.43 0.00 2.76 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 0.00 130 S 7.99 4.14 0.00 3.99 4.03 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 0.00 131 V 8.06 3.56 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 0.89 0.00 0.00 132 Y 8.37 4.02 0.00 3.17 3.15 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 0.00 133 Q 8.07 4.06 0.00 2.47 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 134 L 7.83 4.02 0.00 1.99 1.75 0.93 0.43 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 0.00 135 L 8.16 4.29 0.00 1.73 1.60 0.84 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.36 3.94 0.00 1.96 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 2.24 2.19 0.00 137 Q 8.46 4.20 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 138 A 8.42 4.27 1.56 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 0.00 139 S 8.33 4.02 0.00 4.17 4.14 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 0.00 0.00 0.00 140 K 8.06 4.06 0.00 2.04 1.86 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.74 7.81 141 R 8.17 3.87 0.00 2.14 1.90 0.00 3.27 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 142 W 8.21 4.37 0.00 3.38 3.19 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 0.00 0.00 0.00 143 A 8.30 4.24 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.05 3.92 0.00 1.98 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 2.30 2.54 0.00 145 K 7.48 4.25 0.00 1.16 1.43 0.00 1.27 0.00 0.00 1.33 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.55 1.22 7.81 146 L 7.47 4.90 0.00 1.94 1.69 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 147 G 7.99 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 * Residues marked with a * may have inaccurate shift predictions.