NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3009 8.2644 123.5805 52.3842 19.7641 176.0779 2 S 4.2085 8.3029 111.4442 56.6521 63.0995 171.6202 3 A 3.7341 7.7374 126.6873 50.6532 17.9263 177.8901 4 A 5.6208 7.0050 131.1306 52.4660 21.2982 177.4760 5 K 4.5442 6.9632 116.1576 55.6284 31.3506 176.3156 6 G 3.8510 9.1038 119.5164 48.6408 0.0000 175.3280 7 D 3.4252 6.7092 115.4440 50.8529 43.8942 176.0757 8 H 3.4169 8.4504 117.0258 57.7741 28.6685 176.8748 9 G 4.2752 8.5826 108.7135 47.6067 0.0000 173.2943 10 G 3.7163 7.2638 112.2831 45.2222 0.0000 172.6467 *12 G 3.8175 8.1991 113.5276 45.0087 0.0000 172.7454 13 A 4.1363 8.5125 119.5781 55.1147 18.2154 179.7437 14 R 3.9044 8.0440 116.7827 59.8426 30.2418 178.6705 15 T 3.8986 7.9232 114.9283 66.6743 68.5294 176.5651 16 W 4.1114 8.0995 120.5010 59.6070 29.0222 178.6486 17 R 3.8674 8.6484 119.3663 59.1924 29.5411 178.2389 18 F 4.4030 8.5052 120.5936 61.5457 39.3723 177.1142 19 L 3.9450 8.0559 118.5005 57.9076 41.2835 179.4987 20 T 3.7545 7.9888 115.7153 66.7966 68.2091 176.3376 21 F 4.8302 8.0943 117.3708 59.0033 39.4143 177.5526 22 G 4.1534 8.7278 103.7261 44.6824 0.0000 173.3469 23 L 4.5136 7.6362 119.7531 56.3598 44.4072 178.1749 24 A 3.9798 8.6198 120.4837 55.2732 18.2741 179.6934 25 L 3.9820 8.3282 117.9795 57.4257 41.6687 177.6675 26 P 4.2546 0.0000 0.0000 65.9578 31.1008 178.7815 27 S 4.0856 7.9088 113.3386 61.3969 62.7896 176.6949 28 V 3.4832 7.7988 120.7816 65.8644 31.2591 177.8035 29 A 3.9327 8.2532 120.6894 55.1918 18.2660 179.3540 30 L 3.8875 8.0160 117.5207 58.4835 41.7925 179.8536 31 C 4.1606 8.2240 116.0522 62.5156 27.8700 176.4901 32 T 3.2700 7.6158 117.8932 66.3603 67.8149 176.0274 33 L 3.8876 7.5504 120.7595 58.2772 42.3225 177.8482 34 N 4.2288 8.2030 116.4517 57.2496 38.6265 177.1279 35 S 4.1569 7.6537 114.8993 60.5761 63.6919 175.8443 36 W 5.2598 8.0085 121.7075 55.4231 27.8195 175.5569 37 L 4.7265 7.4741 123.0748 57.0905 49.7727 176.0134 38 H 4.6255 8.4651 112.2492 56.3512 28.1607 175.6373 39 S 4.7101 7.7769 115.9414 56.8827 65.2805 173.7708 40 G 3.9774 8.5567 106.2880 46.4690 0.0000 173.1656 41 H 4.5509 8.2025 118.5728 55.4550 29.5465 175.1622 42 R 4.3807 8.2419 121.6256 54.3360 31.3278 175.7179 43 E 3.8916 8.7703 123.0473 56.1193 29.4085 176.6109 44 R 4.0082 8.4828 123.1720 56.0546 29.7238 174.7189 45 P 4.6234 0.0000 0.0000 61.3982 32.7554 175.5746 46 A 4.1717 8.5368 121.9791 52.7692 18.7057 177.3315 47 F 4.4596 8.8523 123.3167 57.8554 40.2819 175.1647 48 I 3.9425 6.7687 127.2367 58.8108 40.6608 174.8308 49 P 4.1132 0.0000 0.0000 62.1059 29.2585 176.1742 50 Y 4.2305 6.9903 118.2472 59.2139 38.8840 177.4847 51 H 4.4990 8.9868 119.9265 57.4992 29.2840 175.8159 52 H 4.6545 8.2775 113.5152 55.7419 29.0875 174.5101 53 L 4.7295 7.0801 118.6947 53.3636 44.9684 175.6124 54 R 3.8945 8.5881 115.4915 57.3147 27.4168 177.4514 55 I 3.8249 7.6859 116.9900 61.7731 37.8747 177.3388 56 R 4.2778 8.1318 123.1581 55.0035 31.3233 174.5752 57 T 4.2920 8.0196 111.8523 61.6830 70.0781 175.3717 58 K 4.4333 7.2123 121.5932 54.1142 35.1357 173.3761 59 P 4.1726 0.0000 0.0000 62.1964 32.1884 176.5522 60 F 3.9415 7.8695 120.6348 57.8580 39.1472 175.3869 61 S 4.6385 7.8278 117.4215 58.1193 63.2547 174.1049 62 W 5.2180 7.1421 115.9141 55.8364 31.5037 175.0162 63 G 3.8719 8.6156 107.2784 47.1573 0.0000 174.1445 64 D 4.6156 8.8844 125.7478 53.1271 39.7119 178.1538 65 G 4.1766 8.1852 107.9921 46.1676 0.0000 174.6184 66 N 5.0525 8.8347 116.3216 53.2162 39.8264 173.2772 67 H 4.9574 8.0837 113.5361 54.3784 31.6489 174.0239 68 T 3.6345 8.2478 113.0387 60.7794 69.7584 175.1950 69 F 2.9641 8.7641 124.5077 60.5177 39.2778 176.3724 70 F 5.1467 7.4593 117.6209 56.3608 39.4740 175.3788 71 H 3.9616 7.9555 119.9985 56.9155 30.2998 173.4048 72 N 4.8330 8.4731 124.7082 51.0373 39.8186 172.7879 73 P 4.4256 0.0000 0.0000 65.6597 31.7089 178.1215 74 R 4.0087 8.1178 117.5546 58.4718 30.0273 177.3337 75 V 4.4304 7.7723 107.5350 60.6992 33.7926 174.9341 76 N 4.8447 8.5856 117.9080 50.5668 38.3780 172.9744 77 P 4.1983 0.0000 0.0000 62.0173 32.3553 176.4082 78 L 4.3573 8.0170 120.3639 53.2809 42.5517 176.4283 79 P 4.4221 0.0000 0.0000 65.4922 31.1423 177.6879 80 T 4.2060 8.3615 105.8039 60.9394 69.7649 173.6344 81 G 2.0000 6.6048 108.5373 43.2195 0.0000 172.8905 82 Y 4.4739 7.6078 117.1315 57.6717 38.4205 176.0855 83 E 4.2528 8.5398 122.0334 55.9189 30.4558 177.3685 84 K 4.1755 8.4662 119.0470 56.9435 32.1034 177.2495 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 4.30 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 2 S 8.30 4.21 0.00 3.84 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 3 A 7.74 3.73 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 4 A 7.00 5.62 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 5 K 6.96 4.54 0.00 1.62 1.09 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.33 7.81 6 G 9.10 3.85 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 0.00 0.00 0.00 7 D 6.71 3.43 0.00 2.64 2.38 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 8 H 8.45 3.42 0.00 3.35 3.36 0.00 5.99 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 8.58 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 0.00 0.00 0.00 0.00 10 G 7.26 3.72 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 0.00 0.00 0.00 *12 G 8.20 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 13 A 8.51 4.14 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 8.04 3.90 0.00 1.94 1.99 0.00 3.20 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 15 T 7.92 3.90 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 0.76 0.00 0.00 16 W 8.10 4.11 0.00 3.50 3.30 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 17 R 8.65 3.87 0.00 1.99 2.25 0.00 3.22 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 1.93 1.86 0.00 18 F 8.51 4.40 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 19 L 8.06 3.95 0.00 1.79 1.61 0.04 0.30 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 7.99 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 0.71 0.00 0.00 21 F 8.09 4.83 0.00 3.12 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 22 G 8.73 4.15 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 0.00 0.00 0.00 23 L 7.64 4.51 0.00 1.61 1.68 0.89 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.62 3.98 1.35 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 0.00 0.00 25 L 8.33 3.98 0.00 1.80 1.81 1.10 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.25 0.00 2.17 2.14 0.00 3.75 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 27 S 7.91 4.09 0.00 4.09 3.88 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 28 V 7.80 3.48 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 0.96 0.00 0.00 0.98 0.00 0.00 29 A 8.25 3.93 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 30 L 8.02 3.89 0.00 1.81 1.71 0.91 1.15 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 8.22 4.16 0.00 2.84 2.84 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 32 T 7.62 3.27 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 0.78 0.00 0.00 33 L 7.55 3.89 0.00 1.77 1.81 0.92 0.85 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 34 N 8.20 4.23 0.00 2.72 2.85 0.00 0.00 7.37 7.31 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 35 S 7.65 4.16 0.00 3.40 3.69 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 0.00 0.00 0.00 0.00 36 W 8.01 5.26 0.00 3.18 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 37 L 7.47 4.73 0.00 1.96 1.87 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.47 4.63 0.00 3.28 3.36 0.00 5.89 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.78 4.71 0.00 4.01 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 0.00 40 G 8.56 3.98 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 0.00 0.00 0.00 41 H 8.20 4.55 0.00 3.16 3.21 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 42 R 8.24 4.38 0.00 1.83 1.88 0.00 3.26 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 43 E 8.77 3.89 0.00 1.93 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 2.25 0.00 44 R 8.48 4.01 0.00 1.95 1.86 0.00 2.33 0.00 0.00 2.95 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.31 0.00 45 P 0.00 4.62 0.00 2.31 2.17 0.00 4.01 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 2.16 2.08 0.00 46 A 8.54 4.17 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 8.85 4.46 0.00 2.95 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 48 I 6.77 3.94 1.11 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.52 -0.23 0.00 0.00 49 P 0.00 4.11 0.00 2.06 2.15 0.00 3.37 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 1.79 1.94 0.00 50 Y 6.99 4.23 0.00 2.90 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 4.50 0.00 3.21 3.39 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 8.28 4.65 0.00 3.26 3.38 0.00 5.46 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.08 4.73 0.00 1.62 1.58 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.59 3.89 0.00 1.98 2.04 0.00 3.35 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 55 I 7.69 3.82 1.90 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 8.13 4.28 0.00 1.65 1.68 0.00 3.10 0.00 0.00 3.02 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.48 0.00 57 T 8.02 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 1.17 0.00 0.00 58 K 7.21 4.43 0.00 1.59 1.52 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.18 1.36 7.81 59 P 0.00 4.17 0.00 1.94 1.84 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 2.00 0.00 60 F 7.87 3.94 0.00 2.28 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 7.83 4.64 0.00 4.14 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 62 W 7.14 5.22 0.00 3.41 3.35 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 63 G 8.62 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 64 D 8.88 4.62 0.00 2.79 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 8.19 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.83 5.05 0.00 2.59 2.88 0.00 0.00 6.95 7.90 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 67 H 8.08 4.96 0.00 3.17 3.17 0.00 5.95 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.25 3.63 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 1.33 0.00 0.00 69 F 8.76 2.96 0.00 2.32 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 0.00 0.00 0.00 70 F 7.46 5.15 0.00 3.14 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 7.96 3.96 0.00 3.40 3.33 0.00 5.90 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.47 4.83 0.00 2.74 2.66 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 4.43 0.00 2.10 2.28 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 74 R 8.12 4.01 0.00 1.91 1.92 0.00 3.27 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 1.58 1.68 0.00 75 V 7.77 4.43 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 0.82 0.00 0.00 0.97 0.00 0.00 76 N 8.59 4.84 0.00 2.68 2.85 0.00 0.00 6.99 7.91 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 77 P 0.00 4.20 0.00 1.74 0.73 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.77 0.00 78 L 8.02 4.36 0.00 1.62 1.56 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.42 0.00 2.04 2.15 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 2.02 2.10 0.00 80 T 8.36 4.21 4.17 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 0.00 0.00 0.00 1.19 0.00 0.00 81 G 6.60 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 7.61 4.47 0.00 2.91 2.81 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 0.00 0.00 0.00 0.00 83 E 8.54 4.25 0.00 2.04 1.93 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 2.35 2.38 0.00 84 K 8.47 4.18 0.00 1.73 1.73 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.