NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3063 8.2644 123.5811 52.4004 19.7605 176.1330 2 S 4.2903 8.2862 111.5583 56.6089 64.0797 172.9928 3 A 3.5541 8.5708 126.4580 51.4374 16.8048 178.0705 4 A 5.5525 7.6919 132.2090 51.5189 21.9611 178.3694 5 K 4.5500 7.4063 116.1386 56.3583 31.2901 176.2473 6 G 4.1186 8.3251 112.7098 46.3600 0.0000 176.3248 7 D 3.3700 8.1195 111.3018 51.8571 44.0102 177.8476 8 H 3.9809 9.4147 114.6109 57.0821 28.8858 175.8661 9 G 4.0708 8.0502 107.9146 48.5199 0.0000 173.1948 10 G 3.7637 7.5006 107.2211 44.9972 0.0000 170.9240 *12 G 3.8324 8.2852 109.0920 45.2137 0.0000 172.8922 13 A 4.1556 8.5554 119.3714 55.1252 18.1083 179.8201 14 R 3.8896 8.0334 116.7577 59.9399 30.2650 178.5983 15 T 3.8967 7.9842 114.9637 66.7052 68.5274 176.4671 16 W 4.0764 8.2087 120.0303 59.1086 29.0197 178.5712 17 R 3.9956 8.2124 119.2308 58.8759 29.5553 177.8764 18 F 4.2609 8.5311 120.7695 61.6437 39.2885 177.2316 19 L 3.9695 8.1216 118.4287 57.7637 41.2720 179.5636 20 T 3.7546 7.8727 115.7927 66.7862 68.2094 176.5646 21 F 4.6995 8.0040 117.7323 59.3989 39.2157 177.5100 22 G 4.1368 8.4397 103.7797 45.1293 0.0000 173.5037 23 L 4.5263 7.6556 120.0659 56.1161 44.2566 177.8952 24 A 3.9956 8.2369 120.1782 55.3037 18.3663 179.5961 25 L 3.9748 8.3805 117.3510 57.3702 41.7456 177.9778 26 P 4.2965 0.0000 0.0000 65.8358 31.3127 178.6097 27 S 4.1199 8.2585 113.8873 61.7726 62.7241 177.0551 28 V 3.6162 7.8614 120.5809 65.6188 31.1419 177.9646 29 A 4.0784 8.0842 120.8134 54.6397 18.1997 179.5508 30 L 3.9050 8.0316 117.6446 58.3910 41.7977 179.6329 31 C 4.0868 8.1276 116.1833 62.5918 27.9384 176.3846 32 T 3.5529 7.8216 117.9149 66.1818 67.7727 176.2433 33 L 3.9312 7.9393 121.6018 58.2507 42.5701 177.9419 34 N 4.2899 8.3110 116.9543 57.0611 38.9569 177.0357 35 S 4.0108 7.8411 116.1001 60.6056 63.9917 174.8059 36 W 5.2927 7.6476 122.5247 53.9712 25.5866 174.1214 37 L 4.3681 7.6889 129.8762 56.5414 46.9854 174.5263 38 H 4.7019 8.6449 115.5269 56.9077 30.0915 177.3296 39 S 4.6865 7.4366 117.4382 56.0910 62.0065 175.9330 40 G 3.6724 9.0833 111.9747 46.1729 0.0000 171.9288 41 H 3.9700 8.2732 120.5986 55.3337 28.2929 174.7755 42 R 4.1261 8.5163 124.7162 54.9331 30.7280 175.2539 43 E 3.8353 8.9538 123.8747 56.0714 29.3962 176.5890 44 R 3.9454 8.5960 122.6024 56.1602 29.5893 174.8231 45 P 4.5358 0.0000 0.0000 61.6045 32.4749 175.7220 46 A 4.0860 8.6023 121.8871 52.7188 18.5972 177.4235 47 F 4.4996 9.0531 125.0116 58.1128 40.0758 174.6326 48 I 3.9354 7.3335 127.8407 58.6619 40.5364 174.7064 49 P 4.1178 0.0000 0.0000 61.8498 30.3813 176.3418 50 Y 4.3291 7.1730 116.4059 59.6436 38.8353 178.0071 51 H 4.4486 8.9906 119.8297 58.0976 29.2639 175.9564 52 H 4.7238 8.4116 112.7937 55.3408 28.8362 174.2596 53 L 4.7484 7.0738 117.9352 53.2624 45.0038 175.5850 54 R 3.8293 8.6608 115.4042 56.8054 27.7171 177.2580 55 I 3.7285 7.7378 116.1606 62.0992 37.7503 177.1049 56 R 4.2206 8.2030 122.8311 55.3796 31.6473 174.6865 57 T 4.3904 7.8961 112.0403 61.1561 70.3194 174.7628 58 K 4.2710 7.0978 120.9025 54.6180 34.9526 172.9855 59 P 4.2348 0.0000 0.0000 62.0469 32.4828 176.1592 60 F 3.9930 7.8825 118.4213 57.7130 39.1173 176.0375 61 S 4.6787 8.1547 118.8344 58.2956 62.7139 173.6630 62 W 5.2561 7.7310 117.2251 55.2880 31.9531 175.9161 63 G 3.8563 8.5817 108.3938 47.2993 0.0000 173.8796 64 D 4.5543 8.8528 124.1283 52.9981 39.7927 177.5988 65 G 3.8153 8.3578 108.5149 45.9934 0.0000 174.2088 66 N 4.9891 8.7862 115.6399 52.9553 40.1999 173.2715 67 H 4.9014 8.1108 114.3720 54.5476 31.1614 174.4109 68 T 3.7048 8.3616 114.0338 60.8814 69.6273 174.9401 69 F 3.2008 8.8989 124.8455 60.5948 39.4767 175.8516 70 F 5.0947 7.5730 117.1135 56.4053 39.4489 175.3183 71 H 4.0258 8.1231 120.0962 56.6437 30.4266 173.5054 72 N 4.8671 8.4421 124.7889 51.0462 39.4358 172.5156 73 P 4.2927 0.0000 0.0000 65.7846 31.7782 178.7379 74 R 3.9700 8.0607 116.9770 58.8587 29.8720 177.3246 75 V 4.4666 7.2968 103.5189 60.6635 33.3610 175.2644 76 N 4.8650 8.7057 118.2787 50.3462 38.6974 172.7107 77 P 4.0359 0.0000 0.0000 62.1597 32.1296 176.4632 78 L 4.3948 7.7807 119.8572 52.9676 42.7201 176.2318 79 P 4.2710 0.0000 0.0000 65.7417 31.1322 177.6727 80 T 4.2499 8.2770 105.3744 61.0040 69.7531 173.3408 81 G 2.2921 7.3283 108.6341 42.4917 0.0000 172.9074 82 Y 4.3365 7.3459 117.4960 58.1326 38.3263 176.2036 83 E 4.5342 8.4347 120.5307 54.7316 31.2407 176.8927 84 K 4.0417 8.6748 119.1012 57.2384 32.0903 176.9698 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 A 8.26 4.31 1.26 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 0.00 0.00 2 S 8.29 4.29 0.00 3.85 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 3 A 8.57 3.55 1.30 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 0.00 0.00 0.00 4 A 7.69 5.55 1.28 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 0.00 0.00 0.00 5 K 7.41 4.55 0.00 1.59 1.20 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.30 7.81 6 G 8.33 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 0.00 0.00 0.00 0.00 7 D 8.12 3.37 0.00 2.58 2.34 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 8 H 9.41 3.98 0.00 3.27 3.38 0.00 5.98 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.05 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.50 3.76 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 0.00 0.00 0.00 *12 G 8.29 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 13 A 8.56 4.16 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 14 R 8.03 3.89 0.00 1.94 2.00 0.00 3.22 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 15 T 7.98 3.90 4.27 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 0.81 0.00 0.00 16 W 8.21 4.08 0.00 3.47 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 0.00 17 R 8.21 4.00 0.00 2.04 2.26 0.00 3.23 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.84 0.00 18 F 8.53 4.26 0.00 3.28 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 19 L 8.12 3.97 0.00 1.81 1.62 -0.10 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.87 3.75 3.87 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 0.79 0.00 0.00 21 F 8.00 4.70 0.00 3.09 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 22 G 8.44 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 23 L 7.66 4.53 0.00 1.64 1.69 0.90 0.92 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 24 A 8.24 4.00 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 25 L 8.38 3.97 0.00 1.85 1.82 1.01 0.98 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 26 P 0.00 4.30 0.00 2.18 2.14 0.00 3.76 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 27 S 8.26 4.12 0.00 4.02 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 28 V 7.86 3.62 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 1.00 0.00 0.00 0.98 0.00 0.00 29 A 8.08 4.08 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 30 L 8.03 3.91 0.00 1.85 1.71 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.13 4.09 0.00 2.90 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 32 T 7.82 3.55 4.40 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 1.23 0.00 0.00 33 L 7.94 3.93 0.00 1.86 1.85 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.31 4.29 0.00 2.69 2.70 0.00 0.00 7.35 7.97 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 35 S 7.84 4.01 0.00 3.54 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 36 W 7.65 5.29 0.00 3.23 2.92 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 37 L 7.69 4.37 0.00 1.88 1.83 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.64 4.70 0.00 3.19 3.36 0.00 5.91 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.44 4.69 0.00 4.30 3.39 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 40 G 9.08 3.67 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 0.00 0.00 0.00 41 H 8.27 3.97 0.00 3.17 3.25 0.00 5.70 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.52 4.13 0.00 1.84 1.90 0.00 3.28 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 43 E 8.95 3.84 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 2.29 2.28 0.00 44 R 8.60 3.95 0.00 1.97 1.89 0.00 2.62 0.00 0.00 2.97 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.34 0.00 45 P 0.00 4.54 0.00 2.32 2.17 0.00 3.96 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 2.17 2.07 0.00 46 A 8.60 4.09 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 47 F 9.05 4.50 0.00 3.01 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 48 I 7.33 3.94 1.16 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.60 -0.32 0.00 0.00 49 P 0.00 4.12 0.00 1.96 1.98 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.90 0.00 50 Y 7.17 4.33 0.00 2.96 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 51 H 8.99 4.45 0.00 3.24 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.41 4.72 0.00 3.27 3.39 0.00 5.47 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.07 4.75 0.00 1.66 1.59 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.66 3.83 0.00 1.93 2.01 0.00 3.46 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 55 I 7.74 3.73 1.89 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 1.43 0.76 0.88 0.00 0.00 56 R 8.20 4.22 0.00 1.65 1.68 0.00 3.14 0.00 0.00 2.99 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.49 0.00 57 T 7.90 4.39 4.19 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 1.17 0.00 0.00 58 K 7.10 4.27 0.00 1.59 1.52 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.17 1.28 7.81 59 P 0.00 4.23 0.00 2.08 1.89 0.00 3.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 60 F 7.88 3.99 0.00 2.41 1.45 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 0.00 61 S 8.15 4.68 0.00 4.16 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 62 W 7.73 5.26 0.00 3.43 3.31 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 63 G 8.58 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 0.00 0.00 0.00 64 D 8.85 4.55 0.00 2.81 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 65 G 8.36 3.82 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 0.00 0.00 0.00 66 N 8.79 4.99 0.00 2.58 2.82 0.00 0.00 6.96 8.30 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 67 H 8.11 4.90 0.00 3.15 3.20 0.00 5.95 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.36 3.70 4.27 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 1.37 0.00 0.00 69 F 8.90 3.20 0.00 2.45 2.28 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 0.00 70 F 7.57 5.09 0.00 3.12 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 71 H 8.12 4.03 0.00 3.40 3.32 0.00 5.89 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.44 4.87 0.00 2.74 2.66 0.00 0.00 7.19 7.71 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 73 P 0.00 4.29 0.00 2.25 2.18 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 74 R 8.06 3.97 0.00 1.94 1.93 0.00 3.27 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 75 V 7.30 4.47 2.17 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 0.79 0.00 0.00 0.98 0.00 0.00 76 N 8.71 4.87 0.00 2.56 2.78 0.00 0.00 6.97 8.55 0.00 0.00 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 P 0.00 4.04 0.00 1.52 0.50 0.00 3.74 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.71 0.00 78 L 7.78 4.39 0.00 1.65 1.55 0.89 0.84 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 79 P 0.00 4.27 0.00 2.04 2.16 0.00 3.63 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 2.15 2.11 0.00 80 T 8.28 4.25 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 1.21 0.00 0.00 81 G 7.33 2.29 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 0.00 82 Y 7.35 4.34 0.00 2.94 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 83 E 8.43 4.53 0.00 2.04 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 2.28 2.33 0.00 84 K 8.67 4.04 0.00 1.73 1.76 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.53 7.81 * Residues marked with a * may have inaccurate shift predictions.