NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5666 8.2993 120.0952 56.1574 34.5868 175.3998 3 T 4.8038 7.8985 109.5068 59.0018 71.9415 172.2303 4 F 4.5906 10.2475 129.4898 57.0115 41.5287 175.3521 5 I 4.8915 7.9585 127.1197 59.6528 39.6090 174.5331 6 I 4.9885 9.1980 128.1776 59.4388 40.3492 174.6370 7 G 3.7825 9.2332 114.1844 44.3973 0.0000 172.5110 8 I 5.1259 8.7013 125.1065 59.7488 40.1816 174.2655 9 S 5.6374 9.7051 122.0821 54.8831 66.1023 172.6794 10 G 3.7901 8.3285 109.3341 43.0985 0.0000 172.5195 11 V 3.8228 7.3482 119.5445 61.0781 31.8538 175.6098 12 T 3.8003 8.3599 115.2012 63.9530 67.4544 173.0635 13 N 4.3202 8.8535 122.7803 54.3406 36.1765 175.6338 14 S 4.2347 7.6842 114.8917 59.5333 63.6060 174.7064 15 G 4.2499 8.3497 110.9504 45.8319 0.0000 176.0735 16 K 3.9652 8.4935 121.6576 59.5549 32.0900 179.1714 17 T 3.9249 7.8680 115.5105 67.0004 68.2749 176.7532 18 T 3.9269 7.8232 117.1984 66.2206 68.5214 176.3872 19 L 4.0479 7.8803 121.9821 57.5800 42.0622 178.6882 20 A 4.0284 8.0289 120.8838 55.2319 18.3736 179.8014 21 K 3.9206 8.0270 116.9816 59.4959 31.9423 179.4189 22 N 4.0274 7.8795 116.8509 56.2772 38.5844 177.2699 23 L 4.2730 8.1280 120.2781 57.9916 41.5336 179.2443 24 Q 4.0018 8.1565 118.5213 59.5116 29.0577 178.4669 25 K 4.0119 7.7958 117.6990 59.1206 32.1049 178.0500 26 H 4.8055 7.7397 112.7486 54.4013 29.4434 174.1870 27 L 4.9315 7.4137 121.5842 52.2018 43.5554 174.3824 28 P 4.4992 0.0000 0.0000 63.2437 33.0085 175.4352 29 N 4.1839 8.7836 118.5518 55.3897 37.1671 172.7943 30 C 5.4909 8.0459 116.3189 57.8936 34.5261 173.6095 31 S 5.0347 9.9295 122.5130 56.8206 66.3206 173.0564 32 V 4.9252 8.2074 119.9593 61.3462 34.4263 174.4676 33 I 4.6899 8.8597 127.9623 59.6368 40.7269 174.3800 34 S 5.3919 8.6030 122.2870 55.9649 64.7162 175.1786 35 Q 4.2139 9.4111 126.3569 58.4548 29.0544 177.4195 36 D 4.8394 8.1630 116.0094 56.8028 41.2177 176.7027 37 D 4.6064 8.1267 117.3573 55.3336 41.0549 176.6383 38 F 4.7332 7.9667 119.1265 56.9978 39.7148 174.9456 39 F 4.9575 8.3118 118.5255 56.9747 39.7684 176.0678 40 K 4.5291 9.2114 122.4323 55.3797 33.0432 175.2551 41 P 4.4529 0.0000 0.0000 62.6976 32.3378 176.7509 42 E 4.0673 9.2150 122.0910 59.6619 29.4988 179.2669 43 S 4.3045 8.0697 111.1279 60.2063 63.2559 174.3219 44 E 4.4146 8.2614 119.6385 56.5814 30.0606 176.1668 45 I 4.1173 7.1442 119.3059 60.8682 37.9885 175.0340 46 E 4.9323 8.5479 122.4163 54.7597 33.5050 174.8013 47 T 5.0162 8.2921 111.9132 59.9173 71.0919 174.2011 48 D 4.7272 8.8427 125.5583 52.1867 41.0317 176.8386 49 K 3.8047 8.8282 117.9594 60.1592 31.8056 177.7104 50 N 4.4800 8.2957 112.5167 52.7295 38.8138 175.2783 51 G 3.7150 8.1118 105.4696 46.8794 0.0000 174.9231 52 F 5.3111 8.2870 116.5014 55.2334 42.0323 175.7242 53 L 4.6324 8.9184 126.3889 55.1758 42.0684 178.4568 54 Q 4.3697 9.4547 125.3665 55.3605 26.8654 174.8944 55 Y 4.6409 8.3051 118.3359 59.0466 39.6419 176.1792 56 D 5.4112 8.4121 119.7027 53.9960 41.3731 176.4655 57 V 4.6126 7.5604 110.5861 59.4789 36.2580 176.8711 58 L 3.9004 8.5528 122.1971 57.8686 41.6336 179.4056 59 E 4.0600 8.2000 116.3488 58.4045 29.6920 177.2010 60 A 4.5028 8.2929 121.1208 52.1117 19.2935 176.5565 61 L 5.2132 7.4453 115.2708 52.6436 45.0841 176.3596 62 N 4.5817 8.9533 120.3410 52.9237 39.3290 176.1378 *64 E 4.2974 8.5039 118.1493 56.3370 32.2800 177.1742 65 K 4.3022 7.4086 120.9121 55.8831 30.2792 176.9940 *68 S 4.3325 7.8977 116.2019 58.1075 64.9443 175.5053 69 A 4.1337 7.8663 121.4714 55.2391 17.7742 179.7264 70 I 3.8419 7.5744 117.2124 64.4418 37.3596 178.3307 71 S 4.3199 7.8919 114.7949 61.7452 63.0430 175.8609 72 C 4.3360 8.2789 119.4571 62.5907 28.0034 176.4798 73 W 4.2123 7.9697 125.3613 58.3929 29.8473 176.9906 *75 E 4.1975 8.1207 117.6688 55.9191 30.7467 177.9187 76 S 4.1935 7.9935 112.3855 60.0029 63.5221 175.2197 77 A 3.7207 7.3887 124.3601 54.8019 18.1264 179.6071 78 R 4.2657 7.2353 112.1773 56.9462 29.2367 176.6854 79 H 4.7957 7.9914 114.9075 55.2192 30.0840 173.2977 *92 I 3.9943 7.8233 118.8105 60.1768 38.9423 173.2400 93 P 4.8643 0.0000 0.0000 62.8345 32.5563 175.2342 94 I 5.3464 9.6189 124.8034 59.4712 40.8515 174.1346 95 L 4.8997 8.7393 128.3032 53.1222 44.6770 174.8541 96 I 4.8181 8.8725 127.8952 59.9361 39.3332 174.7684 97 I 4.8489 9.0474 129.8752 59.7736 38.6109 174.4758 98 E 5.1347 8.7517 126.4793 54.4573 32.3164 175.4599 99 G 4.2979 8.0997 106.7019 45.9290 0.0000 174.1887 100 F 4.9495 9.5486 116.0879 57.2560 38.5906 176.2337 101 L 3.3552 7.3341 122.8694 53.1154 42.4948 173.9365 102 L 4.6488 8.6852 121.9116 55.9040 44.0302 178.5327 103 F 5.5963 8.1964 113.3985 58.2815 38.6739 175.3606 104 N 5.0435 8.6057 116.3975 52.6954 38.0521 174.1650 105 Y 4.5454 7.9361 122.1755 55.7880 38.1463 175.7711 106 K 4.2714 8.3104 126.2497 58.5343 32.3952 177.5119 107 P 4.0913 0.0000 0.0000 64.9662 31.4448 177.3645 108 L 3.7262 7.9555 117.8743 56.2119 42.1792 178.4613 109 D 3.3971 7.5764 119.2734 57.2104 40.7571 178.2295 110 T 4.2598 7.2724 106.0678 61.4897 69.0490 175.2057 111 I 4.1548 6.9779 123.9433 62.1204 39.5835 176.7099 112 W 4.6056 7.2940 119.1011 57.3898 29.2747 175.1906 113 N 4.6879 8.7700 119.2297 53.9961 40.4492 175.4489 114 R 4.4651 7.5005 117.7818 55.1549 33.9818 173.7663 115 S 4.8673 8.2745 121.5903 56.7564 66.2977 172.4699 116 Y 5.2008 9.4379 121.7256 56.1103 41.8689 174.5753 117 F 5.1480 9.2023 124.8024 56.4043 42.4428 173.5997 118 L 4.7944 8.4095 127.5666 54.6726 42.4767 176.6854 119 T 4.8975 9.1398 120.5522 61.8089 71.6004 173.0442 120 I 5.0069 8.3654 124.9618 58.4119 41.4192 173.1542 121 P 4.5964 0.0000 0.0000 62.6120 32.2516 176.6316 122 Y 3.1228 8.7769 121.1910 60.9288 38.3336 178.7046 123 E 3.6657 8.0450 118.8387 59.0182 29.6050 178.7923 124 E 3.8338 7.9060 119.0279 59.2495 29.7892 178.1927 125 C 4.0346 8.0556 118.8603 62.3875 31.4448 175.4684 126 K 2.4800 7.0304 119.9694 58.7389 31.7728 178.5608 127 R 3.7871 7.3040 119.1745 59.3065 30.1107 178.3824 128 R 3.8271 7.9465 117.8008 59.4468 30.2856 178.7588 129 R 4.1548 8.0073 118.5491 59.6154 29.8172 177.9617 130 S 4.4619 7.6257 110.5303 59.5397 63.2621 175.0329 131 T 4.3830 7.6820 112.6152 60.7971 69.3940 174.0004 132 R 4.2442 7.2775 122.4086 54.3546 31.6979 175.0455 133 V 3.9136 8.0703 125.4953 62.0199 31.5037 175.1410 134 Y 4.1583 8.3766 125.5745 57.0157 39.2832 174.8513 135 Q 4.2219 8.0941 121.2345 53.9261 30.6937 172.5241 136 P 4.4320 0.0000 0.0000 61.7388 32.1005 174.5433 137 P 4.4999 0.0000 0.0000 62.0935 31.8879 176.3501 138 D 3.9991 8.4962 121.4005 54.3513 41.3209 177.0425 139 S 4.4531 8.1061 118.8335 56.8014 64.1658 171.5105 140 P 4.5641 0.0000 0.0000 63.7866 31.4733 176.8167 141 G 4.1364 9.1149 110.5684 47.1474 0.0000 175.0891 142 Y 3.8424 8.2164 122.6248 60.0781 38.6400 177.0580 143 F 3.9439 8.3549 121.1526 61.6969 39.3396 176.7787 144 D 4.1080 8.3497 116.1812 56.5426 40.8722 178.0404 145 G 3.6441 7.5492 104.6750 45.7546 0.0000 173.7054 146 H 4.4219 7.6325 117.3774 57.5982 33.6193 174.6331 147 V 3.6078 7.0172 117.1331 65.6918 31.8981 176.7502 148 W 4.1250 8.4024 130.3351 60.0262 30.7886 177.2403 149 P 3.9430 0.0000 0.0000 63.3229 30.6666 177.3519 *151 Y 4.7160 8.0322 121.2338 57.7093 40.5348 177.1480 152 L 3.3616 7.3322 119.5113 57.3510 41.4365 179.4312 153 K 3.9193 7.8819 119.6812 59.2426 31.8238 178.3833 154 Y 4.1981 7.5611 118.9010 60.6619 38.9926 177.0618 155 R 3.4858 7.4960 118.1545 59.0840 30.0721 178.5375 156 Q 3.9663 7.4333 118.0990 58.6175 29.8025 178.2279 157 E 4.1803 7.5775 119.9166 56.1965 28.1279 177.7611 *159 Q 4.1853 7.9135 117.4289 55.7368 31.1205 176.7694 160 D 4.4453 7.8879 115.9487 55.4732 41.4793 176.7695 161 I 3.1946 7.4905 119.2106 62.1412 37.1286 175.5917 162 T 4.1395 8.4456 115.0519 62.3794 69.6312 174.7730 163 W 4.6018 7.7258 118.6126 55.0407 30.2488 174.1937 164 E 4.2668 8.7362 119.1264 54.6721 29.7876 174.7800 165 V 4.0237 7.8283 126.3938 61.0001 33.3438 174.9322 166 V 4.0558 8.4793 128.8973 62.1736 32.4034 174.4035 167 Y 4.9324 8.7966 126.3970 57.6833 38.8285 175.0666 168 L 4.9241 9.4370 123.4828 52.9505 45.9874 175.4538 169 D 4.9264 8.7288 122.2206 53.0480 41.4267 177.2237 170 G 3.8289 9.2994 117.0287 47.6938 0.0000 173.5735 171 T 4.0966 7.8990 109.1853 63.2608 69.2723 175.2444 172 K 4.2226 7.5879 121.5170 55.6310 32.9254 176.9954 173 S 4.2368 8.4404 113.9591 58.8794 63.6643 174.6715 174 E 4.0121 8.7044 127.0725 59.0716 29.4533 178.7833 175 E 4.2100 8.0717 117.7135 58.9314 29.9690 178.6896 176 D 4.3680 7.9774 119.6207 57.2045 40.9641 178.4481 177 L 4.0028 7.9934 119.5767 57.6005 41.6366 179.1675 178 F 4.1457 7.9275 120.0394 61.5533 39.2748 177.2869 179 L 3.7676 8.1949 118.6035 57.4463 41.1399 179.2297 180 Q 3.9073 7.9452 119.7122 59.2148 28.9901 178.7173 181 V 3.3983 7.6277 119.1733 65.9359 31.3248 177.1817 182 Y 4.1852 7.8590 118.5276 60.9099 38.6865 177.8375 183 E 3.8486 8.3077 119.4128 59.4161 29.1753 178.4834 184 D 4.3884 7.8380 117.7624 57.9211 41.0856 178.8850 185 L 4.0692 8.4638 119.4871 57.5503 41.5965 179.1886 186 I 3.8506 7.8514 119.7419 63.1162 36.8997 177.0747 187 Q 4.2972 7.1727 116.9025 55.9128 28.7082 176.1397 188 E 4.6180 7.7703 120.3979 56.8747 32.4352 177.8857 189 L 3.7683 7.6004 117.8971 56.6010 42.0997 178.9222 190 A 3.9055 7.8630 121.2684 54.8947 18.3221 178.0678 191 K 4.4639 7.4988 113.2654 56.5781 32.1376 177.0167 192 Q 4.2825 8.0785 124.7909 56.0884 28.8870 175.4921 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 2 K 8.30 4.57 0.00 1.67 1.94 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.46 7.81 3 T 7.90 4.80 4.70 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 1.17 0.00 0.00 4 F 10.25 4.59 0.00 3.23 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 5 I 7.96 4.89 2.01 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 1.36 0.90 0.93 0.00 0.00 6 I 9.20 4.99 2.03 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.98 1.20 0.00 0.00 7 G 9.23 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 8 I 8.70 5.13 1.90 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 1.28 1.29 0.93 0.00 0.00 9 S 9.71 5.64 0.00 2.96 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 10 G 8.33 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 11 V 7.35 3.82 0.67 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 0.66 0.00 0.00 0.64 0.00 0.00 12 T 8.36 3.80 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 1.34 0.00 0.00 13 N 8.85 4.32 0.00 2.93 2.89 0.00 0.00 7.02 7.57 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 14 S 7.68 4.23 0.00 3.92 4.01 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 15 G 8.35 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 16 K 8.49 3.97 0.00 1.91 1.87 0.00 1.85 0.00 0.00 1.86 0.00 0.00 3.12 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.50 7.81 17 T 7.87 3.92 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 1.21 0.00 0.00 18 T 7.82 3.93 4.36 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 1.22 0.00 0.00 19 L 7.88 4.05 0.00 1.84 1.80 0.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.03 4.03 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 21 K 8.03 3.92 0.00 1.76 1.83 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.60 7.81 22 N 7.88 4.03 0.00 2.75 1.93 0.00 0.00 6.99 6.63 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 23 L 8.13 4.27 0.00 1.94 1.87 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.16 4.00 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 25 K 7.80 4.01 0.00 1.64 1.64 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.79 7.81 26 H 7.74 4.81 0.00 2.93 3.31 0.00 5.81 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.41 4.93 0.00 1.87 1.70 1.08 1.21 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 28 P 0.00 4.50 0.00 2.23 2.10 0.00 4.02 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 29 N 8.78 4.18 0.00 3.03 3.06 0.00 0.00 6.60 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 30 C 8.05 5.49 0.00 3.10 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 31 S 9.93 5.03 0.00 3.73 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 32 V 8.21 4.93 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 1.00 0.00 0.00 33 I 8.86 4.69 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.52 1.01 0.00 0.00 34 S 8.60 5.39 0.00 4.10 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 35 Q 9.41 4.21 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 36 D 8.16 4.84 0.00 2.88 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 37 D 8.13 4.61 0.00 2.70 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 0.00 0.00 0.00 0.00 38 F 7.97 4.73 0.00 3.08 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 39 F 8.31 4.96 0.00 3.04 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 40 K 9.21 4.53 0.00 1.68 1.80 0.00 1.82 0.00 0.00 1.98 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.75 1.52 7.81 41 P 0.00 4.45 0.00 2.14 2.21 0.00 3.84 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 2.11 2.02 0.00 42 E 9.21 4.07 0.00 2.08 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 0.00 2.45 2.48 0.00 43 S 8.07 4.30 0.00 4.03 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 44 E 8.26 4.41 0.00 2.13 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 2.28 2.28 0.00 45 I 7.14 4.12 1.73 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 -0.08 0.40 0.00 0.00 46 E 8.55 4.93 0.00 1.88 1.80 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 2.27 2.25 0.00 47 T 8.29 5.02 4.28 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 1.23 0.00 0.00 48 D 8.84 4.73 0.00 3.02 3.09 0.00 0.00 0.00 0.00 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7.90 4.33 0.00 3.90 4.13 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 69 A 7.87 4.13 1.47 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 70 I 7.57 3.84 1.81 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.44 0.85 0.00 0.00 71 S 7.89 4.32 0.00 4.00 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 72 C 8.28 4.34 0.00 3.23 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 73 W 7.97 4.21 0.00 3.52 3.40 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 *75 E 8.12 4.20 0.00 2.23 2.21 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 2.26 2.69 0.00 76 S 7.99 4.19 0.00 3.96 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 77 A 7.39 3.72 0.48 0.00 0.00 0.00 0.00 0.00 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0.00 139 S 8.11 4.45 0.00 4.08 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 0.00 140 P 0.00 4.56 0.00 2.15 2.11 0.00 3.88 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 141 G 9.11 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 0.00 0.00 0.00 142 Y 8.22 3.84 0.00 3.31 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 0.00 143 F 8.35 3.94 0.00 3.19 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 0.00 144 D 8.35 4.11 0.00 2.81 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 0.00 145 G 7.55 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 0.00 146 H 7.63 4.42 0.00 2.18 2.11 0.00 5.96 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.02 3.61 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 0.81 0.00 0.00 0.60 0.00 0.00 148 W 8.40 4.13 0.00 2.80 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 0.00 149 P 0.00 3.94 0.00 2.12 2.02 0.00 3.39 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 2.14 2.09 0.00 *151 Y 8.03 4.72 0.00 2.89 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 0.00 152 L 7.33 3.36 0.00 1.67 1.48 0.93 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 153 K 7.88 3.92 0.00 1.86 1.76 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.42 7.81 154 Y 7.56 4.20 0.00 2.82 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 0.00 155 R 7.50 3.49 0.00 1.49 1.64 0.00 3.04 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.39 0.00 156 Q 7.43 3.97 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.64 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 157 E 7.58 4.18 0.00 2.12 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 2.35 2.56 0.00 *159 Q 7.91 4.19 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.05 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 160 D 7.89 4.45 0.00 2.63 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 0.00 161 I 7.49 3.19 1.34 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.08 -0.65 0.00 0.00 162 T 8.45 4.14 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 1.31 0.00 0.00 163 W 7.73 4.60 0.00 3.36 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 0.00 164 E 8.74 4.27 0.00 1.92 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 2.13 2.23 0.00 165 V 7.83 4.02 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.01 0.00 0.00 166 V 8.48 4.06 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 1.19 0.00 0.00 0.82 0.00 0.00 167 Y 8.80 4.93 0.00 2.98 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 0.00 168 L 9.44 4.92 0.00 1.60 1.59 0.89 0.98 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 0.00 169 D 8.73 4.93 0.00 2.80 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 0.00 170 G 9.30 3.83 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 0.00 0.00 0.00 171 T 7.90 4.10 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 1.29 0.00 0.00 172 K 7.59 4.22 0.00 2.04 1.83 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.42 7.81 173 S 8.44 4.24 0.00 3.90 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 0.00 174 E 8.70 4.01 0.00 2.07 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 2.34 2.35 0.00 175 E 8.07 4.21 0.00 2.26 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 2.29 2.38 0.00 176 D 7.98 4.37 0.00 2.96 2.78 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 0.00 177 L 7.99 4.00 0.00 1.75 1.73 0.95 1.06 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 0.00 178 F 7.93 4.15 0.00 3.06 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 0.00 179 L 8.19 3.77 0.00 1.72 1.68 0.99 1.13 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 0.00 180 Q 7.95 3.91 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 181 V 7.63 3.40 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 0.31 0.00 0.00 0.61 0.00 0.00 182 Y 7.86 4.19 0.00 2.14 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 0.00 183 E 8.31 3.85 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 2.27 2.55 0.00 184 D 7.84 4.39 0.00 2.88 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 0.00 185 L 8.46 4.07 0.00 2.02 1.64 1.28 0.90 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 0.00 186 I 7.85 3.85 1.74 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.63 0.76 0.00 0.00 187 Q 7.17 4.30 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 188 E 7.77 4.62 0.00 2.05 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 2.45 2.40 0.00 189 L 7.60 3.77 0.00 1.48 1.56 0.78 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 0.00 190 A 7.86 3.91 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 0.00 191 K 7.50 4.46 0.00 2.03 1.85 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.41 7.81 192 Q 8.08 4.28 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.