NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5892 8.1476 118.3354 54.5358 33.8771 174.0175 2 V 3.8175 8.2914 119.0985 62.4459 32.0465 173.7043 3 K 5.1830 10.1183 125.9538 54.3871 37.1231 176.0988 4 I 5.0104 8.0093 121.4604 59.8582 40.0092 175.4412 5 R 4.8419 8.9239 122.9592 55.6860 32.9767 173.2454 6 L 4.8726 8.5093 118.2607 53.8779 43.4388 176.6628 7 A 4.7380 8.2805 124.5062 49.9798 21.0798 175.3248 8 R 3.7246 8.6495 122.6923 57.2265 30.7352 175.6922 9 F 4.9224 9.5451 126.8955 57.7339 43.1614 174.0873 10 G 3.8863 9.0357 109.5379 45.7912 0.0000 171.1219 11 S 4.6588 7.6204 113.6412 55.5396 65.8421 172.4012 12 K 3.5358 8.5046 121.1465 58.2774 31.8237 175.5507 13 H 3.9876 8.6898 124.8240 54.8166 25.3945 175.5578 14 N 4.9547 7.0059 122.8514 53.4975 40.9222 173.5201 15 P 4.8231 0.0000 0.0000 62.6085 29.8657 175.2130 16 H 4.7612 8.9008 119.6445 54.8508 30.4399 174.7149 17 Y 5.0550 8.5639 122.2525 56.7149 40.4060 175.9358 18 R 4.3813 8.5502 119.6039 55.5629 32.1016 173.0134 19 I 4.1754 8.1399 126.9821 61.6315 38.2996 175.2783 20 V 4.6114 9.4535 127.4352 59.5270 35.1441 175.2691 21 V 4.4989 8.7282 123.4521 60.7803 32.8729 174.1888 22 T 4.8019 8.2995 121.5679 60.5319 71.4599 170.9193 23 D 4.9582 8.5184 119.8382 52.9282 42.2216 177.8526 24 A 3.9620 8.3536 128.9848 55.6994 18.4556 178.6854 25 R 4.1331 8.7433 111.6686 56.9893 29.9562 176.3351 26 R 4.4656 7.6831 119.6916 54.1553 32.0871 175.4969 27 K 4.3364 8.1119 118.4893 55.8457 33.6580 177.8054 28 R 3.9329 8.7343 120.8003 59.3048 29.9804 177.0474 29 D 5.0276 8.0043 113.8573 53.8788 41.3767 176.8650 30 G 3.7797 7.6201 109.7163 44.6582 0.0000 172.8783 31 K 3.8910 8.1846 121.0435 56.8923 32.6837 175.0516 32 Y 4.8547 7.3961 115.9409 56.0458 40.0261 174.6576 33 I 3.8671 8.3880 122.3440 63.7785 37.5125 176.5491 34 E 4.8412 7.2446 118.2680 55.6332 31.9227 174.5647 35 K 4.4043 8.4366 125.2745 55.0214 33.6485 176.1473 36 I 4.5959 9.0122 118.4884 59.7190 37.9409 174.5792 37 G 4.1280 7.8019 106.2623 45.2697 0.0000 171.5676 38 Y 5.0942 6.7980 117.0722 56.7128 41.6965 173.7838 39 Y 4.3529 8.4376 114.9355 57.6249 42.2266 173.0116 40 D 4.6726 7.8369 128.9447 51.7987 41.6832 175.0779 41 P 4.6252 0.0000 0.0000 63.9053 31.6594 177.6067 42 R 4.0032 7.9255 117.1691 55.9501 30.4594 176.2658 43 K 3.4510 7.3056 112.7304 57.2236 29.0130 174.0039 44 T 4.4942 8.3195 109.1844 60.4451 70.5064 174.4822 45 T 4.6292 7.6538 117.3952 59.1118 69.3889 172.7334 46 P 4.4395 0.0000 0.0000 65.3733 31.1315 176.1053 47 D 4.9487 7.6429 118.0581 52.1792 39.6820 176.1249 48 W 4.9679 8.6016 125.5404 54.4993 29.2226 176.3535 49 L 5.4862 6.9166 130.1334 56.6136 42.0422 172.1524 50 K 4.1309 5.6600 123.5630 55.3146 33.6371 177.1301 51 V 4.4243 7.9640 120.2679 63.4648 33.1725 176.1259 52 D 4.1808 7.7949 114.1457 54.5941 38.2781 174.9051 53 V 3.8011 7.5674 122.4739 65.1009 32.0758 176.0352 54 E 4.0626 8.3469 118.4743 60.0841 29.2077 179.0676 55 R 3.8990 8.7897 117.7731 59.0455 30.1572 178.8590 56 A 4.1206 8.1438 119.6054 55.5796 18.3975 179.3303 57 R 3.9525 7.7077 116.1105 59.6744 30.1860 178.3450 58 Y 3.9521 7.8003 119.8458 59.8725 38.5205 178.0536 59 W 4.6581 8.1904 115.0584 57.9674 29.2901 176.5509 60 L 4.6845 8.3416 121.3120 55.6830 43.6999 179.1458 61 S 4.0316 7.5503 113.5023 61.0056 63.0667 176.4324 62 V 3.5685 7.0968 112.3072 61.7901 31.6293 176.6843 63 G 4.0415 8.6796 107.7943 46.3062 0.0000 174.3159 64 A 5.0533 8.2419 132.8326 51.1670 19.7188 176.6988 65 Q 3.9014 7.8939 118.8040 56.2468 29.4115 175.5535 66 P 4.8371 0.0000 0.0000 60.9971 33.4010 174.8015 67 T 4.0713 7.8826 114.3375 63.9581 68.3650 174.0872 68 D 4.3914 8.2198 120.4373 57.7655 41.3345 178.3289 69 T 3.8512 7.6759 111.1148 63.4967 67.5070 175.4353 70 A 4.1670 7.9993 123.3468 55.1770 18.6289 179.9021 71 R 3.7511 7.5919 113.0019 59.2921 29.4027 178.7696 72 R 3.6364 7.7111 117.3544 57.9321 29.7550 176.4957 73 L 4.3392 7.2823 116.2124 57.0233 43.3276 178.3916 74 L 4.0079 7.6554 118.1733 57.7200 41.4061 179.6382 75 R 3.8635 8.8843 119.2707 59.3517 29.8236 178.6278 76 Q 4.2034 7.1448 112.3970 56.7753 28.7857 176.0660 77 A 4.4831 7.7454 118.3805 50.5769 20.7948 177.4804 78 G 4.0847 9.1645 104.9021 45.0644 0.0000 176.0061 79 V 3.6107 7.5967 118.9870 65.5938 31.4604 176.6312 80 F 4.4866 8.2567 115.6680 57.6344 39.9724 176.1657 81 R 4.1256 7.7877 121.6133 56.3701 30.2135 175.9351 82 Q 4.4739 8.6319 119.5802 55.2833 30.0820 175.2289 83 E 4.0251 8.3347 116.8977 56.3713 27.8201 174.4641 *84 A 4.1104 7.7160 124.5875 52.3054 18.9361 176.0333 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 4.59 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 2 V 8.29 3.82 2.04 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 0.79 0.00 0.00 0.76 0.00 0.00 3 K 10.12 5.18 0.00 1.63 1.71 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.59 7.81 4 I 8.01 5.01 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.30 0.91 0.00 0.00 5 R 8.92 4.84 0.00 1.81 2.02 0.00 2.80 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 6 L 8.51 4.87 0.00 1.60 2.08 0.83 0.17 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 7 A 8.28 4.74 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 8 R 8.65 3.72 0.00 1.29 1.74 0.00 3.11 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.81 0.00 9 F 9.55 4.92 0.00 2.97 2.82 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 10 G 9.04 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 4.66 0.00 3.91 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 12 K 8.50 3.54 0.00 1.69 1.80 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.19 1.37 7.81 13 H 8.69 3.99 0.00 3.39 3.37 0.00 5.85 0.00 0.00 0.00 0.00 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.01 4.95 0.00 2.82 2.82 0.00 0.00 7.07 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 15 P 0.00 4.82 0.00 2.31 2.17 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 16 H 8.90 4.76 0.00 3.12 3.30 0.00 5.80 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.56 5.05 0.00 3.16 3.02 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 18 R 8.55 4.38 0.00 1.39 1.35 0.00 3.21 0.00 0.00 3.38 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 19 I 8.14 4.18 1.91 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 1.27 0.61 0.87 0.00 0.00 20 V 9.45 4.61 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.78 0.00 0.00 21 V 8.73 4.50 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 0.24 0.00 0.00 -0.27 0.00 0.00 22 T 8.30 4.80 4.32 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 1.22 0.00 0.00 23 D 8.52 4.96 0.00 2.75 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 8.35 3.96 1.42 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 0.00 0.00 25 R 8.74 4.13 0.00 1.84 1.98 0.00 3.16 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 26 R 7.68 4.47 0.00 1.76 1.99 0.00 3.31 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 27 K 8.11 4.34 0.00 1.96 1.93 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.40 7.81 28 R 8.73 3.93 0.00 1.86 2.08 0.00 3.35 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 29 D 8.00 5.03 0.00 2.68 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.62 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 0.00 0.00 0.00 31 K 8.18 3.89 0.00 1.64 1.72 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.29 7.81 32 Y 7.40 4.85 0.00 3.06 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 33 I 8.39 3.87 1.41 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.44 0.78 0.00 0.00 34 E 7.24 4.84 0.00 2.05 1.68 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 2.15 2.19 0.00 35 K 8.44 4.40 0.00 1.52 1.64 0.00 1.85 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.32 7.81 36 I 9.01 4.60 1.90 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 1.18 0.76 1.04 0.00 0.00 37 G 7.80 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 38 Y 6.80 5.09 0.00 2.97 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 39 Y 8.44 4.35 0.00 3.03 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 40 D 7.84 4.67 0.00 2.60 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 4.63 0.00 2.35 2.59 0.00 3.49 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 42 R 7.93 4.00 0.00 1.91 1.98 0.00 3.33 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 43 K 7.31 3.45 0.00 1.38 1.01 0.00 1.15 0.00 0.00 1.17 0.00 0.00 2.56 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.30 0.75 7.81 44 T 8.32 4.49 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 1.18 0.00 0.00 45 T 7.65 4.63 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 1.42 0.00 0.00 46 P 0.00 4.44 0.00 2.29 2.25 0.00 3.84 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 2.06 2.06 0.00 47 D 7.64 4.95 0.00 2.87 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 48 W 8.60 4.97 0.00 3.67 3.33 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 49 L 6.92 5.49 0.00 1.13 0.90 0.82 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 50 K 5.66 4.13 0.00 1.49 1.03 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.37 7.81 51 V 7.96 4.42 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 1.07 0.00 0.00 0.76 0.00 0.00 52 D 7.79 4.18 0.00 2.84 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 53 V 7.57 3.80 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 0.93 0.00 0.00 0.96 0.00 0.00 54 E 8.35 4.06 0.00 2.31 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 0.00 2.32 2.48 0.00 55 R 8.79 3.90 0.00 1.94 2.11 0.00 3.25 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 56 A 8.14 4.12 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 57 R 7.71 3.95 0.00 2.02 1.95 0.00 3.20 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.76 0.00 58 Y 7.80 3.95 0.00 2.83 2.82 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 59 W 8.19 4.66 0.00 3.43 3.24 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 60 L 8.34 4.68 0.00 1.76 1.55 0.83 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.55 4.03 0.00 3.75 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 62 V 7.10 3.57 2.01 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 0.11 0.00 0.00 0.42 0.00 0.00 63 G 8.68 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 0.00 0.00 0.00 64 A 8.24 5.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.90 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 66 P 0.00 4.84 0.00 2.19 2.14 0.00 3.87 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 1.94 2.07 0.00 67 T 7.88 4.07 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 68 D 8.22 4.39 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 3.85 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 1.09 0.00 0.00 70 A 8.00 4.17 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 71 R 7.59 3.75 0.00 1.68 2.15 0.00 2.75 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.37 0.00 72 R 7.71 3.64 0.00 1.75 1.86 0.00 3.12 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 73 L 7.28 4.34 0.00 1.60 1.40 0.06 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.66 4.01 0.00 1.93 1.95 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.88 3.86 0.00 1.47 1.64 0.00 2.95 0.00 0.00 2.96 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.81 0.00 76 Q 7.14 4.20 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.48 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 77 A 7.75 4.48 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 78 G 9.16 4.08 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 0.00 0.00 0.00 79 V 7.60 3.61 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 0.71 0.00 0.00 1.02 0.00 0.00 80 F 8.26 4.49 0.00 2.93 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 81 R 7.79 4.13 0.00 1.82 2.01 0.00 3.21 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 82 Q 8.63 4.47 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 5.38 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 83 E 8.33 4.03 0.00 2.06 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 2.15 2.19 0.00 *84 A 7.72 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.