NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 T 4.3885 8.0333 117.3786 63.1392 70.2347 174.4674 9 Q 3.8486 8.7576 123.4787 58.3695 28.6091 178.3920 10 F 4.4511 9.0723 122.4751 61.6463 39.9276 176.6468 11 Q 3.8434 8.1515 117.0635 58.9352 28.5655 178.9821 12 K 3.9841 8.3572 119.6341 59.3516 32.1281 179.2145 13 L 4.0931 8.2539 120.7652 58.4636 41.9402 178.9632 14 M 4.0231 8.2979 118.7783 58.1255 31.8163 178.3140 15 E 3.8312 8.0700 119.4451 59.4064 29.8893 178.7032 16 N 4.3120 8.1380 116.4213 56.3858 38.5998 177.0882 17 M 2.0000 8.0035 119.7441 58.1918 32.2224 178.5705 18 R 3.9120 7.9834 118.4096 59.2049 30.2441 178.8664 19 N 4.3183 8.2337 116.5315 56.1715 38.2664 177.0160 20 D 4.3367 7.8642 118.6697 57.3484 41.7220 177.9428 21 I 3.6378 8.0072 120.5634 64.3522 36.8261 178.2937 22 A 4.0455 7.8843 120.4561 55.2380 18.2438 179.6130 23 S 4.3963 7.8562 114.7859 61.4687 64.2576 175.6030 *24 H 4.8664 7.7835 119.5801 52.6663 29.1733 176.2832 25 P 4.4091 0.0000 0.0000 61.1784 31.6822 176.0667 26 P 4.2229 0.0000 0.0000 63.1147 32.0257 176.7714 27 V 4.2267 8.2781 121.3726 59.3955 32.9846 174.9875 28 E 4.3386 8.7716 121.5067 56.8322 29.8075 174.2410 29 G 4.0988 9.1855 115.3890 45.2901 0.0000 175.6132 30 S 4.2319 7.9760 115.7030 61.0080 62.4610 179.4476 31 Y 4.4386 7.9599 121.5507 56.1073 39.2875 173.9772 32 A 4.3626 7.6649 132.2423 49.9414 20.9993 174.6887 33 P 4.3214 0.0000 0.0000 62.4112 31.8400 173.4096 34 R 4.7225 8.1872 120.0624 52.8839 33.3904 172.1701 35 R 4.2086 8.5479 121.3853 57.8538 30.2646 176.9028 36 G 3.8356 9.3733 116.7283 45.6960 0.0000 174.0307 37 E 4.3383 7.8462 118.1737 56.2329 31.0696 181.9269 38 F 5.1329 8.7512 120.8983 57.5615 40.6225 174.4871 39 C 4.5916 9.1808 115.7414 57.7747 33.3156 172.1550 40 I 5.1417 8.5665 112.0858 59.4374 40.0317 174.6436 41 A 5.3294 9.4672 125.3479 50.2869 22.5659 175.0672 42 K 4.1353 8.7306 124.5711 54.8598 32.6864 176.4621 43 F 4.8820 9.0499 130.6319 56.7081 40.3514 176.2282 44 V 3.4759 5.9543 114.6199 63.0874 31.1490 176.9024 45 D 4.3918 7.6118 118.0765 52.9656 39.6681 177.2058 46 G 3.7732 7.9974 107.8721 45.9165 0.0000 173.2144 47 E 4.6506 8.2077 119.1007 54.3461 32.1410 175.1259 48 W 5.2227 8.5170 121.8532 56.2585 30.6433 175.3730 49 Y 5.0525 9.3862 120.2173 56.1490 42.5823 174.9519 50 R 4.8190 8.9874 120.2596 56.6551 31.6392 175.5349 51 A 5.2600 9.2619 123.5875 50.8274 23.6352 174.6950 52 R 4.8786 9.0577 119.0903 54.4047 33.7939 174.5408 53 V 4.1760 8.7359 126.6724 63.0860 31.9810 176.0681 54 E 4.6312 9.1128 127.5514 57.4336 31.3559 176.4216 55 K 4.2322 7.6082 116.8585 55.4296 35.7056 174.0938 56 V 4.4558 8.5030 127.2870 61.7200 32.0186 174.6401 57 E 4.2184 9.0222 129.9412 58.0584 30.2412 175.8311 58 S 4.5890 7.4894 110.4216 56.7149 65.6570 173.4705 59 P 4.1877 0.0000 0.0000 65.1283 30.9772 177.9566 60 A 4.5388 7.7563 118.1660 52.2687 19.7327 176.2252 61 K 4.7762 8.0726 115.3025 54.1300 34.3052 173.7144 62 I 4.9227 8.9829 125.0892 59.5255 40.0741 174.2277 63 H 4.9720 9.5171 125.6956 55.3896 29.8278 175.0681 64 V 4.9638 9.0236 116.6445 59.3516 36.0890 174.3332 65 F 5.2357 8.8435 124.3872 56.6229 41.7484 173.8062 66 Y 4.6972 8.6218 125.2542 57.4987 37.9649 176.4952 67 I 3.8413 8.6910 119.4576 62.8943 38.5836 177.3108 68 D 4.6018 8.3191 120.5941 54.4467 41.3847 176.2407 69 Y 4.4201 7.6596 114.2389 56.7180 40.3383 176.5198 70 G 3.8599 8.5461 107.4424 44.7761 0.0000 172.4303 71 N 5.0892 7.5771 116.7919 51.2876 40.4418 173.6884 72 R 5.3659 8.4888 117.2429 54.7962 33.6926 174.8689 73 E 4.8038 8.9775 120.6025 55.0561 33.8677 173.7944 74 V 4.8742 8.3847 124.9850 61.1915 33.0154 174.6210 75 L 5.0245 8.9075 127.6935 53.2957 44.6077 174.2167 76 P 4.8533 0.0000 0.0000 61.5139 32.5136 177.2233 77 S 4.2634 8.7141 114.2516 61.7753 62.3904 176.8352 78 T 4.0725 8.0212 115.6833 66.0780 68.4659 174.7811 79 R 4.7134 8.2442 119.6919 55.8401 31.1889 175.8407 80 L 5.6154 8.2484 118.3908 53.3738 45.1471 175.8105 81 G 4.1441 8.9621 107.9706 44.8581 0.0000 171.8195 82 T 4.0060 8.1783 116.6924 63.2248 69.1736 174.5151 83 L 4.4248 8.2959 128.6807 53.7409 42.6961 176.5347 84 S 4.3055 8.7596 121.8961 57.5596 63.9924 173.4529 85 P 4.1129 0.0000 0.0000 65.7749 31.2046 178.3783 86 A 3.7752 7.5831 119.2358 54.0140 18.2375 177.7215 87 F 4.9668 7.5675 113.2090 57.0176 40.1860 175.3924 88 S 4.3999 7.7408 117.1223 57.6601 63.6720 174.8685 89 T 4.6865 7.8314 113.8557 63.8544 68.5298 176.9243 90 R 4.0176 7.4174 123.6975 60.8695 29.4275 184.0725 91 V 4.1149 7.6099 116.1200 63.9637 32.4498 175.9068 92 L 4.5774 7.4977 120.1916 52.3996 44.7249 173.9390 93 P 4.5235 0.0000 0.0000 61.8620 31.9775 175.8705 94 A 4.0205 8.4062 122.4688 53.5198 18.3991 177.6695 95 Q 4.2044 8.4216 120.4497 55.0861 29.1015 175.9639 96 A 3.8294 7.5538 124.2490 53.5363 18.8716 179.0095 *97 T 4.1435 8.3561 113.2356 61.0368 69.2373 171.6767 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 8 T 8.03 4.39 4.48 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 1.36 0.00 0.00 9 Q 8.76 3.85 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 10 F 9.07 4.45 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 11 Q 8.15 3.84 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 12 K 8.36 3.98 0.00 1.97 1.89 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.63 7.81 13 L 8.25 4.09 0.00 1.95 1.97 1.23 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 M 8.30 4.02 0.00 1.90 1.93 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 2.31 2.89 0.00 15 E 8.07 3.83 0.00 2.09 2.07 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 2.28 2.31 0.00 16 N 8.14 4.31 0.00 2.90 3.07 0.00 0.00 6.73 6.95 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 17 M 8.00 2.00 0.00 1.63 1.22 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 1.91 2.21 0.00 18 R 7.98 3.91 0.00 1.84 1.92 0.00 3.10 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 19 N 8.23 4.32 0.00 2.84 2.85 0.00 0.00 6.60 7.61 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 20 D 7.86 4.34 0.00 2.94 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 21 I 8.01 3.64 1.66 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.64 0.20 0.00 0.00 22 A 7.88 4.05 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 23 S 7.86 4.40 0.00 3.98 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 *24 H 7.78 4.87 0.00 2.90 2.80 0.00 7.22 0.00 0.00 0.00 0.00 6.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.41 0.00 2.08 1.88 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.62 0.00 26 P 0.00 4.22 0.00 2.02 1.90 0.00 3.42 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.46 0.00 27 V 8.28 4.23 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 0.76 0.00 0.00 0.93 0.00 0.00 28 E 8.77 4.34 0.00 1.98 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 2.23 1.89 0.00 29 G 9.19 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 0.00 0.00 0.00 30 S 7.98 4.23 0.00 3.66 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 31 Y 7.96 4.44 0.00 2.93 2.99 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 32 A 7.66 4.36 1.04 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 0.00 0.00 33 P 0.00 4.32 0.00 2.10 1.85 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 34 R 8.19 4.72 0.00 1.66 1.74 0.00 3.24 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.16 0.00 35 R 8.55 4.21 0.00 1.73 1.86 0.00 3.18 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 36 G 9.37 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 0.00 0.00 0.00 37 E 7.85 4.34 0.00 1.70 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 2.24 2.16 0.00 38 F 8.75 5.13 0.00 2.96 3.03 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 39 C 9.18 4.59 0.00 2.62 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 40 I 8.57 5.14 2.12 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.80 0.93 0.00 0.00 41 A 9.47 5.33 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 42 K 8.73 4.14 0.00 0.79 1.20 0.00 0.87 0.00 0.00 1.21 0.00 0.00 2.54 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.87 0.21 7.81 43 F 9.05 4.88 0.00 2.69 3.12 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 44 V 5.95 3.48 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 0.33 0.00 0.00 -0.01 0.00 0.00 45 D 7.61 4.39 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.00 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 47 E 8.21 4.65 0.00 2.09 1.63 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 2.23 2.36 0.00 48 W 8.52 5.22 0.00 3.09 3.12 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 49 Y 9.39 5.05 0.00 3.17 3.09 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 0.00 50 R 8.99 4.82 0.00 2.06 1.99 0.00 3.23 0.00 0.00 3.52 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.82 0.00 51 A 9.26 5.26 1.07 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 52 R 9.06 4.88 0.00 1.83 1.74 0.00 2.88 0.00 0.00 2.82 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.00 53 V 8.74 4.18 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 0.76 0.00 0.00 1.06 0.00 0.00 54 E 9.11 4.63 0.00 1.85 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 2.19 2.25 0.00 55 K 7.61 4.23 0.00 1.69 1.40 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.59 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.20 1.28 7.81 56 V 8.50 4.46 2.07 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 0.83 0.00 0.00 0.93 0.00 0.00 57 E 9.02 4.22 0.00 2.05 2.26 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 2.31 2.26 0.00 58 S 7.49 4.59 0.00 4.00 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 59 P 0.00 4.19 0.00 2.21 2.17 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 60 A 7.76 4.54 1.32 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 0.00 0.00 61 K 8.07 4.78 0.00 1.71 1.85 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.40 7.81 62 I 8.98 4.92 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.91 0.98 0.00 0.00 63 H 9.52 4.97 0.00 3.25 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 9.02 4.96 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 0.70 0.00 0.00 0.64 0.00 0.00 65 F 8.84 5.24 0.00 3.12 2.85 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 66 Y 8.62 4.70 0.00 2.96 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 67 I 8.69 3.84 2.09 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.66 1.35 0.00 0.00 68 D 8.32 4.60 0.00 2.90 1.60 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 4.42 0.00 2.73 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 70 G 8.55 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 71 N 7.58 5.09 0.00 2.78 2.91 0.00 0.00 5.98 7.66 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 72 R 8.49 5.37 0.00 1.79 1.95 0.00 3.32 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 73 E 8.98 4.80 0.00 2.39 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 2.30 2.38 0.00 74 V 8.38 4.87 2.03 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 0.80 0.00 0.00 0.66 0.00 0.00 75 L 8.91 5.02 0.00 1.76 1.72 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.85 0.00 2.27 2.23 0.00 3.89 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.92 0.00 77 S 8.71 4.26 0.00 3.94 4.02 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 0.00 0.00 0.00 0.00 78 T 8.02 4.07 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 1.29 0.00 0.00 79 R 8.24 4.71 0.00 1.91 1.83 0.00 3.02 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 80 L 8.25 5.62 0.00 1.93 1.75 1.10 0.92 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 81 G 8.96 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 82 T 8.18 4.01 4.20 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 0.00 0.00 1.23 0.00 0.00 83 L 8.30 4.42 0.00 1.54 1.64 1.08 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.76 4.31 0.00 4.01 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 85 P 0.00 4.11 0.00 2.10 2.10 0.00 3.55 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 2.08 2.08 0.00 86 A 7.58 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 7.57 4.97 0.00 3.06 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 88 S 7.74 4.40 0.00 3.89 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 89 T 7.83 4.69 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 0.71 0.00 0.00 90 R 7.42 4.02 0.00 1.90 1.89 0.00 3.26 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 91 V 7.61 4.11 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 0.98 0.00 0.00 0.88 0.00 0.00 92 L 7.50 4.58 0.00 1.73 1.43 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.52 0.00 2.03 1.94 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 94 A 8.41 4.02 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 95 Q 8.42 4.20 0.00 1.08 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.11 1.61 0.00 96 A 7.55 3.83 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 *97 T 8.36 4.14 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 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.