NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3201 8.2649 123.5817 52.2365 19.7820 176.8379 2 S 4.0596 8.5236 116.2243 58.6565 63.2764 173.1561 3 A 4.1469 7.7292 131.4767 51.4026 17.2698 177.6075 4 A 4.7256 6.6926 124.7715 52.1144 20.6075 177.1528 5 K 4.7083 7.4205 120.3420 56.9704 33.6435 174.4554 6 G 3.8709 7.9827 106.5843 44.1281 0.0000 177.5802 7 D 3.4921 8.7168 113.7166 54.5290 44.3487 175.0031 8 H 3.9377 8.4259 117.7709 57.1413 28.3631 175.9500 9 G 4.1016 10.3035 111.6902 48.1957 0.0000 173.9207 10 G 3.8177 7.5027 106.5792 45.7558 0.0000 170.8793 *12 G 3.8305 7.8876 109.4545 45.1868 0.0000 172.8242 13 A 4.1508 8.5811 119.3978 55.2465 18.1204 179.8301 14 R 3.9188 8.0265 116.7230 59.8889 30.1687 178.7521 15 T 3.8656 7.8972 115.0314 66.5636 68.5184 176.6362 16 W 3.8673 8.3302 120.8334 59.4187 29.0484 178.7108 17 R 3.8782 8.6245 119.3891 59.2066 29.4846 178.0295 18 F 4.2143 8.4679 120.6846 61.6921 39.2265 177.1566 19 L 3.9418 8.2095 118.4980 58.0067 41.3470 179.6375 20 T 3.7861 8.0415 115.6353 66.5919 68.2003 176.2617 21 F 5.0159 8.1707 117.2373 58.6848 39.5346 177.6317 22 G 4.1314 8.4996 103.9983 44.8953 0.0000 173.5426 23 L 4.5282 7.6979 119.6453 56.4984 44.4061 178.0978 24 A 3.9885 8.3801 120.3037 55.3360 18.3764 179.6765 25 L 3.9977 8.5723 117.6968 57.3559 41.6783 177.7952 26 P 4.2934 0.0000 0.0000 65.7995 31.2053 178.4922 27 S 4.1192 8.2728 113.8474 61.8084 62.7367 176.9671 28 V 3.5682 7.8306 120.4368 65.9442 31.1763 177.9041 29 A 4.0163 8.2026 120.4157 55.0803 18.1716 179.4620 30 L 3.9289 8.0485 117.5285 58.4583 41.7369 179.7899 31 C 4.1120 8.3030 116.4540 62.7194 27.9684 176.3773 32 T 3.8173 8.3137 118.0011 67.2575 67.8891 175.5056 33 L 3.7246 7.9135 118.9303 59.1097 42.3106 177.7963 34 N 4.2387 8.8481 116.1738 57.1275 39.2462 177.6399 35 S 3.7947 8.1350 116.2015 60.3800 63.8618 175.2281 36 W 5.2123 7.3820 121.6560 53.9517 25.8052 174.3518 37 L 4.4718 7.3388 129.1619 56.3615 46.6660 174.2979 38 H 4.7827 8.2184 113.1292 55.8441 28.6295 175.9286 39 S 4.5341 7.5212 114.7850 57.4102 65.0955 172.3331 40 G 3.8262 9.0090 109.6065 46.4072 0.0000 172.3480 41 H 4.1763 8.6840 121.0121 56.2261 28.7646 175.4768 42 R 4.1452 8.3931 123.6874 55.6640 30.6925 176.2594 43 E 4.1688 8.5391 122.5486 55.5596 30.3455 176.8413 44 R 4.2135 8.3274 122.8817 55.3007 30.4607 174.3572 45 P 4.6212 0.0000 0.0000 61.3096 32.7784 175.5965 46 A 4.0462 8.6363 121.7851 52.7088 18.5540 177.5386 47 F 4.4384 9.1000 125.2722 58.2681 40.0891 174.5155 48 I 3.9392 7.1206 127.6297 58.7474 40.5330 174.6685 49 P 4.0605 0.0000 0.0000 61.3656 29.9333 176.2310 50 Y 4.2938 7.0238 117.2993 59.7560 38.7654 177.7960 51 H 4.4719 8.9835 119.7529 57.1620 29.3704 175.6119 52 H 4.7624 8.2393 113.8194 55.3372 28.9041 174.4569 53 L 4.7943 6.9871 118.7882 53.8989 45.2559 175.5657 54 R 3.9496 8.6674 115.3504 57.2497 27.3196 177.2315 55 I 3.7911 7.8823 117.4210 61.7654 37.6706 176.9255 56 R 4.2541 8.1643 122.8631 54.9664 31.4938 174.6247 57 T 4.2932 8.0867 112.4846 61.7985 70.0746 175.1840 58 K 4.4560 7.1887 121.2956 54.0801 35.1488 173.4269 59 P 4.2259 0.0000 0.0000 62.1326 32.0773 176.6526 60 F 4.0472 8.2500 120.8508 57.6359 39.1558 175.4976 61 S 4.7438 8.0213 117.5155 58.1646 63.1588 173.9377 62 W 5.0568 8.0213 116.2420 55.6819 31.8979 175.7000 63 G 3.7331 8.5045 108.6169 47.3720 0.0000 173.8933 64 D 4.5987 8.8540 124.1573 52.9346 39.7554 177.5862 65 G 3.8589 8.5915 110.1867 45.5653 0.0000 174.3914 66 N 4.9555 8.6789 115.6613 53.1656 39.9443 173.1252 67 H 4.9101 8.1067 113.9085 54.2430 31.4189 174.1867 68 T 3.6643 8.2829 113.6978 61.0815 69.4611 175.0528 69 F 3.1957 8.7892 124.3775 60.3038 39.4001 175.7882 70 F 4.9627 7.6199 118.1895 56.4632 39.5478 174.9444 71 H 3.8744 7.7708 119.5476 56.9832 30.0330 173.5043 72 N 4.8303 8.4293 124.4227 50.9925 39.7200 172.5678 73 P 4.2693 0.0000 0.0000 65.5422 31.7299 178.2336 74 R 4.0686 8.1732 117.7261 58.5236 30.0027 177.2964 75 V 4.5208 7.7598 106.9135 60.6304 33.5845 175.0971 76 N 4.8462 8.2980 118.1297 50.3902 38.3744 172.6348 77 P 4.0066 0.0000 0.0000 61.9545 32.3098 176.7520 78 L 4.2757 7.8679 120.2805 53.4904 42.4365 176.3205 79 P 4.4204 0.0000 0.0000 66.2524 31.1467 177.7998 80 T 4.1118 7.6757 104.7895 61.6363 69.3406 173.5473 81 G 2.0000 7.5011 109.0111 43.7584 0.0000 172.7585 82 Y 4.2572 7.5882 115.7499 57.5533 38.3656 176.3164 83 E 4.1807 8.5917 122.6355 55.9860 30.3960 177.3415 84 K 4.1663 8.5570 120.2595 56.9153 32.0679 177.0160 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 4.32 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 8.52 4.06 0.00 3.93 3.90 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 0.00 0.00 0.00 3 A 7.73 4.15 1.38 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 0.00 0.00 0.00 4 A 6.69 4.73 1.33 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 0.00 0.00 5 K 7.42 4.71 0.00 1.58 1.50 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.31 7.81 6 G 7.98 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 7 D 8.72 3.49 0.00 2.61 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 8 H 8.43 3.94 0.00 3.17 3.63 0.00 5.95 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 10.30 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 10 G 7.50 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 *12 G 7.89 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 8.58 4.15 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 14 R 8.03 3.92 0.00 1.94 2.00 0.00 3.22 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 15 T 7.90 3.87 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 0.73 0.00 0.00 16 W 8.33 3.87 0.00 3.50 3.36 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 17 R 8.62 3.88 0.00 1.95 2.19 0.00 3.23 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 18 F 8.47 4.21 0.00 3.26 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 19 L 8.21 3.94 0.00 1.73 1.59 -0.29 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.04 3.79 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 0.74 0.00 0.00 21 F 8.17 5.02 0.00 3.07 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 22 G 8.50 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 0.00 0.00 0.00 23 L 7.70 4.53 0.00 1.67 1.77 0.91 0.96 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 24 A 8.38 3.99 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 25 L 8.57 4.00 0.00 1.84 1.83 1.07 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.29 0.00 2.31 2.16 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 27 S 8.27 4.12 0.00 4.03 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 28 V 7.83 3.57 2.27 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 1.13 0.00 0.00 1.02 0.00 0.00 29 A 8.20 4.02 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 30 L 8.05 3.93 0.00 1.87 1.73 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.30 4.11 0.00 2.93 2.91 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 32 T 8.31 3.82 4.46 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 1.45 0.00 0.00 33 L 7.91 3.72 0.00 1.88 1.70 0.94 0.92 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 34 N 8.85 4.24 0.00 2.70 2.72 0.00 0.00 7.41 7.85 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 35 S 8.13 3.79 0.00 3.17 2.88 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 0.00 0.00 0.00 0.00 36 W 7.38 5.21 0.00 3.30 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 37 L 7.34 4.47 0.00 1.69 1.89 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.22 4.78 0.00 3.11 3.27 0.00 5.90 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.52 4.53 0.00 4.44 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 40 G 9.01 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 41 H 8.68 4.18 0.00 3.17 3.31 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.39 4.15 0.00 1.84 1.89 0.00 3.23 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 43 E 8.54 4.17 0.00 1.94 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 0.00 2.28 2.24 0.00 44 R 8.33 4.21 0.00 1.98 1.84 0.00 2.58 0.00 0.00 2.97 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.24 0.00 45 P 0.00 4.62 0.00 2.30 2.16 0.00 3.80 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 2.09 2.16 0.00 46 A 8.64 4.05 1.33 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 0.00 0.00 47 F 9.10 4.44 0.00 3.07 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 48 I 7.12 3.94 1.12 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 1.20 0.59 -0.26 0.00 0.00 49 P 0.00 4.06 0.00 2.05 2.10 0.00 3.36 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.92 0.00 50 Y 7.02 4.29 0.00 2.90 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 51 H 8.98 4.47 0.00 3.23 3.41 0.00 5.69 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 52 H 8.24 4.76 0.00 3.25 3.37 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 6.99 4.79 0.00 1.59 1.56 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.67 3.95 0.00 2.01 2.09 0.00 3.44 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 55 I 7.88 3.79 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 1.44 0.76 0.89 0.00 0.00 56 R 8.16 4.25 0.00 1.65 1.66 0.00 3.11 0.00 0.00 2.99 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.48 0.00 57 T 8.09 4.29 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 1.18 0.00 0.00 58 K 7.19 4.46 0.00 1.59 1.52 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.20 1.37 7.81 59 P 0.00 4.23 0.00 1.96 1.85 0.00 3.62 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 1.94 1.99 0.00 60 F 8.25 4.05 0.00 2.12 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 8.02 4.74 0.00 4.17 4.04 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 62 W 8.02 5.06 0.00 3.41 3.34 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 63 G 8.50 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.60 0.00 2.78 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 65 G 8.59 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 66 N 8.68 4.96 0.00 2.59 2.89 0.00 0.00 6.98 7.81 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 67 H 8.11 4.91 0.00 3.13 3.17 0.00 5.95 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.28 3.66 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 1.33 0.00 0.00 69 F 8.79 3.20 0.00 2.46 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 70 F 7.62 4.96 0.00 3.12 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 71 H 7.77 3.87 0.00 3.33 3.33 0.00 5.89 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 72 N 8.43 4.83 0.00 2.75 2.67 0.00 0.00 7.20 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 4.27 0.00 2.12 2.33 0.00 3.75 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 2.08 2.20 0.00 74 R 8.17 4.07 0.00 2.02 1.94 0.00 3.30 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 75 V 7.76 4.52 2.18 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 0.84 0.00 0.00 0.98 0.00 0.00 76 N 8.30 4.85 0.00 2.66 2.82 0.00 0.00 6.97 8.85 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 77 P 0.00 4.01 0.00 1.62 0.59 0.00 3.71 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.86 0.00 78 L 7.87 4.28 0.00 1.73 1.54 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.42 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 2.03 2.28 0.00 80 T 7.68 4.11 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 1.20 0.00 0.00 81 G 7.50 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.59 4.26 0.00 2.91 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 83 E 8.59 4.18 0.00 2.05 1.94 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 2.34 2.36 0.00 84 K 8.56 4.17 0.00 1.73 1.73 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.