NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6269 8.1476 118.3366 55.5756 34.1546 173.3809 2 V 4.3511 8.3116 117.0474 60.4559 33.9908 174.1082 3 K 4.8776 9.9228 123.0500 54.9624 37.9720 176.3654 4 I 4.9693 9.5743 122.2791 60.0985 39.4672 175.0321 5 R 4.8316 9.5213 125.4714 55.1348 33.1046 173.4891 6 L 5.1092 8.8903 117.2255 52.7699 43.7395 176.6519 7 A 4.5677 8.5541 123.4175 49.7562 21.0875 175.4905 8 R 3.4322 8.2959 121.4065 57.2196 30.7458 176.7410 9 F 4.2302 8.4128 124.1064 53.9833 48.0607 176.6981 10 G 3.8677 9.5871 118.3578 47.6369 0.0000 175.6231 11 S 4.4064 7.8518 119.4922 57.1907 66.1423 172.5433 12 K 3.9536 8.6002 122.1302 58.4587 32.4270 177.9521 13 H 4.2726 8.8771 120.7146 56.5367 26.8208 174.2742 14 N 5.0398 7.5607 117.7963 51.6626 39.1232 172.3818 15 P 4.1950 0.0000 0.0000 63.6181 31.9860 176.9791 16 H 4.6576 8.5832 121.1148 54.9116 32.1888 172.7297 17 Y 4.6987 8.9909 122.3650 57.0937 40.6058 175.1367 18 R 4.9182 8.5228 118.6004 54.5448 34.1035 175.3435 19 I 4.1981 8.4685 126.3112 61.7608 38.0197 176.0211 20 V 4.7326 9.9997 126.5102 60.1187 35.6836 174.0827 21 V 5.2060 8.0162 120.8181 59.9219 33.1857 174.6691 22 T 4.9293 7.9511 119.9820 60.9601 71.4172 170.5007 23 D 5.0959 8.5722 119.5177 52.7074 42.5924 177.8783 24 A 3.9394 9.0820 128.4343 55.6569 18.4795 179.3038 25 R 4.0368 8.6022 113.6543 59.3597 30.5202 177.3897 26 R 3.8221 7.5301 115.0226 55.2889 30.7020 176.4397 27 K 4.1725 8.3322 120.4344 56.2755 32.9308 175.9489 28 R 3.8431 7.8984 119.0779 59.5926 30.1282 177.6430 29 D 4.6793 7.9602 120.2503 54.0579 41.3340 177.4067 30 G 4.0274 8.6915 114.3761 45.2472 0.0000 173.8059 31 K 4.2439 8.5949 124.6058 55.0956 33.1287 176.1671 32 Y 4.8210 7.5476 124.1495 55.1772 40.2553 175.6380 33 I 3.8989 8.3753 123.1222 64.3345 37.7776 176.1574 34 E 4.9046 7.9263 119.6753 55.0921 33.0014 173.5200 35 K 4.5095 9.0267 127.5258 55.5848 32.0216 175.7960 36 I 4.2633 8.2290 120.6065 62.6334 40.2887 175.1560 37 G 4.3130 7.5388 107.4090 45.9977 0.0000 171.0858 38 Y 5.5762 7.1320 117.4200 56.1020 42.3380 173.4041 39 Y 5.0824 8.5104 116.6184 57.1091 43.0144 172.3291 40 D 4.4340 8.4037 124.7454 51.7433 43.4822 174.6366 41 P 3.7764 0.0000 0.0000 64.2124 32.1663 177.4104 42 R 3.8584 7.8888 117.1421 56.0631 30.4623 177.3995 43 K 2.8877 7.1115 115.6749 56.5411 30.4324 176.8849 44 T 3.8874 7.2905 109.3746 63.9273 68.5794 173.7827 45 T 4.6783 7.3259 116.4889 59.2906 68.9814 172.6918 46 P 4.5224 0.0000 0.0000 65.1443 31.8064 175.9899 47 D 4.8465 7.7168 118.0149 51.9272 41.5068 175.4570 48 W 4.8208 8.0416 129.1302 57.9993 28.5120 181.3858 49 L 3.8501 8.3217 109.6903 56.3340 38.7810 174.5339 50 K 4.2605 7.2534 123.8361 54.5833 34.0933 175.2055 51 V 4.3537 7.6955 122.1339 61.5770 35.5015 174.6682 52 D 4.9481 7.7823 121.0844 51.6579 40.1766 176.6256 53 V 3.6290 7.7645 116.1307 64.6498 31.6987 177.7231 54 E 4.0350 8.0402 117.3099 59.2572 29.8144 178.8536 55 R 4.0057 8.4299 117.1695 59.3353 30.3730 178.8629 56 A 4.1890 8.0446 120.6381 55.5542 18.0708 179.6640 57 R 3.7648 7.4151 114.2461 60.0172 30.5002 177.9440 58 Y 4.0097 7.7823 119.7411 60.3457 38.5041 178.2487 59 W 4.4114 8.2031 118.6026 60.1897 29.1842 178.5064 60 L 4.0600 8.0331 118.3384 57.3655 40.8464 179.3492 61 S 4.1022 8.0663 114.1256 60.3796 63.0372 175.9133 62 V 3.9958 7.2823 113.3724 60.7389 31.8242 175.5730 63 G 3.7555 7.6947 106.7674 45.2822 0.0000 174.4216 64 A 4.4285 7.9614 122.1300 52.7938 19.1572 177.0279 65 Q 4.7450 8.5470 115.7082 53.5847 33.1214 172.7859 66 P 5.7224 0.0000 0.0000 60.4922 33.8300 175.3002 67 T 4.0656 8.3472 118.5517 63.5368 69.4478 174.9911 68 D 4.3880 9.0507 126.3830 58.0450 40.9191 179.2565 69 T 4.4284 7.8185 104.5254 61.7923 68.6703 174.7082 70 A 4.5457 8.2264 124.7802 52.0712 22.1700 179.5525 71 R 4.1780 8.4925 113.7708 59.0327 29.3498 178.6790 72 R 3.8021 8.0572 119.3470 59.6710 29.5296 177.8061 73 L 4.1196 7.4520 115.0604 56.1394 41.5015 178.2305 74 L 4.2527 8.3708 119.5809 55.2062 42.8330 178.2380 75 R 4.1990 8.4823 119.2707 58.5881 30.0126 178.2855 76 Q 3.8465 7.9370 116.1349 59.1909 28.8466 177.3032 77 A 3.9081 7.7655 116.5391 53.0558 18.1451 178.8651 78 G 3.8327 7.4113 98.6558 47.1877 0.0000 173.7169 79 V 4.1770 9.0371 129.1669 63.4991 33.2715 178.2765 80 F 4.0420 9.1489 117.5565 60.4142 39.4459 177.4936 81 R 3.4857 7.4871 117.6400 57.9128 26.5803 176.1158 82 Q 4.2711 7.8782 113.9612 56.2117 29.0448 176.4799 83 E 3.6555 7.9706 117.4383 55.1596 28.8873 174.4147 *84 A 4.1104 8.3370 120.7886 52.8959 18.9361 176.5595 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 M 8.15 4.63 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 2 V 8.31 4.35 2.12 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 0.84 0.00 0.00 0.96 0.00 0.00 3 K 9.92 4.88 0.00 1.64 1.69 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.40 7.81 4 I 9.57 4.97 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.79 0.95 0.00 0.00 5 R 9.52 4.83 0.00 1.75 2.02 0.00 2.76 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 6 L 8.89 5.11 0.00 1.77 2.15 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.55 4.57 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 8 R 8.30 3.43 0.00 1.48 1.57 0.00 3.10 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.94 0.00 9 F 8.41 4.23 0.00 3.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 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 9.59 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 0.00 0.00 0.00 0.00 11 S 7.85 4.41 0.00 3.86 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 12 K 8.60 3.95 0.00 1.74 1.64 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 1.30 7.81 13 H 8.88 4.27 0.00 3.36 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.56 5.04 0.00 2.73 2.79 0.00 0.00 7.14 9.01 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 15 P 0.00 4.20 0.00 2.08 2.30 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 16 H 8.58 4.66 0.00 3.18 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.99 4.70 0.00 3.21 3.14 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 18 R 8.52 4.92 0.00 2.01 1.76 0.00 3.09 0.00 0.00 3.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 19 I 8.47 4.20 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.02 0.90 0.00 0.00 20 V 10.00 4.73 1.85 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 0.80 0.00 0.00 0.54 0.00 0.00 21 V 8.02 5.21 1.48 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 0.24 0.00 0.00 0.14 0.00 0.00 22 T 7.95 4.93 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 1.22 0.00 0.00 23 D 8.57 5.10 0.00 2.76 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.08 3.94 1.31 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 0.00 0.00 25 R 8.60 4.04 0.00 1.84 2.00 0.00 3.21 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 26 R 7.53 3.82 0.00 2.05 1.90 0.00 3.40 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 27 K 8.33 4.17 0.00 1.84 1.82 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.42 7.81 28 R 7.90 3.84 0.00 1.85 1.75 0.00 3.21 0.00 0.00 3.36 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 29 D 7.96 4.68 0.00 2.56 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 30 G 8.69 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 0.00 0.00 0.00 0.00 31 K 8.59 4.24 0.00 1.67 1.69 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.25 7.81 32 Y 7.55 4.82 0.00 3.26 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 33 I 8.38 3.90 1.58 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.63 0.89 0.00 0.00 34 E 7.93 4.90 0.00 2.15 1.70 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 2.41 2.44 0.00 35 K 9.03 4.51 0.00 1.90 1.82 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.26 7.81 36 I 8.23 4.26 1.93 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 1.01 0.00 0.00 37 G 7.54 4.31 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 0.00 0.00 0.00 38 Y 7.13 5.58 0.00 3.25 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 39 Y 8.51 5.08 0.00 3.05 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 D 8.40 4.43 0.00 2.76 2.42 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 0.00 41 P 0.00 3.78 0.00 2.06 1.88 0.00 3.21 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.97 0.00 42 R 7.89 3.86 0.00 1.87 1.89 0.00 3.23 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 43 K 7.11 2.89 0.00 1.79 1.58 0.00 1.50 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.74 7.81 44 T 7.29 3.89 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 1.22 0.00 0.00 45 T 7.33 4.68 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 1.51 0.00 0.00 46 P 0.00 4.52 0.00 2.27 2.24 0.00 3.84 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 2.05 2.01 0.00 47 D 7.72 4.85 0.00 2.60 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 48 W 8.04 4.82 0.00 3.76 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 49 L 8.32 3.85 0.00 2.49 1.78 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.25 4.26 0.00 1.39 0.74 0.00 1.47 0.00 0.00 1.52 0.00 0.00 3.23 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.45 7.81 51 V 7.70 4.35 2.02 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 0.87 0.00 0.00 0.91 0.00 0.00 52 D 7.78 4.95 0.00 3.06 2.54 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 53 V 7.76 3.63 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 0.85 0.00 0.00 0.92 0.00 0.00 54 E 8.04 4.03 0.00 2.06 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 0.00 2.31 2.39 0.00 55 R 8.43 4.01 0.00 1.98 2.16 0.00 3.30 0.00 0.00 3.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.92 0.00 56 A 8.04 4.19 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 57 R 7.42 3.76 0.00 2.07 1.99 0.00 3.33 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 58 Y 7.78 4.01 0.00 2.81 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 59 W 8.20 4.41 0.00 3.53 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 60 L 8.03 4.06 0.00 1.80 1.67 0.66 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.07 4.10 0.00 3.93 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 62 V 7.28 4.00 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 -0.07 0.00 0.00 0.78 0.00 0.00 63 G 7.69 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 64 A 7.96 4.43 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.55 4.74 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 66 P 0.00 5.72 0.00 2.12 2.08 0.00 3.43 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 67 T 8.35 4.07 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 1.22 0.00 0.00 68 D 9.05 4.39 0.00 2.69 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 69 T 7.82 4.43 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 1.19 0.00 0.00 70 A 8.23 4.55 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 71 R 8.49 4.18 0.00 2.19 2.30 0.00 2.76 0.00 0.00 2.99 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 72 R 8.06 3.80 0.00 1.84 1.90 0.00 3.16 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 73 L 7.45 4.12 0.00 1.71 1.51 0.69 -0.82 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 74 L 8.37 4.25 0.00 2.31 1.78 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.48 4.20 0.00 1.56 2.00 0.00 2.98 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 76 Q 7.94 3.85 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 77 A 7.77 3.91 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 78 G 7.41 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 79 V 9.04 4.18 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 0.88 0.00 0.00 0.96 0.00 0.00 80 F 9.15 4.04 0.00 3.00 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 81 R 7.49 3.49 0.00 2.14 2.04 0.00 3.16 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 82 Q 7.88 4.27 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 5.65 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 83 E 7.97 3.66 0.00 2.18 2.05 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 2.23 2.39 0.00 *84 A 8.34 4.11 1.23 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.