NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 T 4.2110 8.1593 115.2027 61.4656 68.4450 173.4944 -3 S 4.7966 8.5563 118.0341 57.1345 70.0800 171.9233 -2 E 4.5934 8.3674 119.7306 53.9814 32.9341 176.6753 -1 E 4.2721 8.8093 122.9384 57.1589 30.7911 174.8504 -3 C 4.8766 8.5663 120.9341 57.0345 35.2637 171.9233 -2 M 4.7234 8.2274 119.1306 52.7814 35.9341 176.3753 -1 H 4.6521 8.8093 120.9384 55.5589 29.8911 172.3504 4 G 4.4456 7.0278 117.0975 45.9285 0.0000 173.4687 5 S 4.8175 7.4314 115.3999 55.9672 64.0694 174.1165 6 G 3.9651 8.0454 110.1385 46.6309 0.0000 173.5243 7 E 3.7170 8.0323 120.7475 59.4046 30.3420 177.3829 8 N 4.3583 8.1084 115.1660 55.3664 39.4745 174.0811 9 Y 4.0566 7.1009 118.7057 58.1177 39.0444 176.7273 10 D 4.1406 7.6267 127.2575 52.6060 43.1967 174.7145 11 G 3.6441 5.8480 111.4609 46.5717 0.0000 172.1008 12 K 3.5005 8.5455 120.7463 56.4176 38.8493 175.8130 13 I 4.3598 8.2209 121.8671 60.9836 38.2833 176.3025 14 S 4.6772 8.4656 119.8382 57.6693 62.4603 173.3500 15 K 5.1297 8.1393 118.9645 54.4040 35.2092 176.7272 16 T 4.5279 9.0953 117.3935 61.5101 69.2122 175.4763 17 M 3.9766 9.0805 125.0577 57.8858 31.0657 176.9855 18 S 4.7903 7.9248 112.9117 57.0526 64.5312 174.2250 19 G 3.9952 8.3898 114.3229 46.3279 0.0000 175.2188 20 L 4.8795 6.0952 121.7186 52.3553 47.6171 175.9798 21 E 4.5224 8.6023 120.5008 56.6289 30.4782 177.0388 22 C 4.8931 9.0122 124.7621 56.9462 41.3198 172.8265 23 Q 4.4584 8.6463 123.4412 54.8386 29.7408 175.7875 24 A 4.1490 8.6160 128.8324 52.1416 18.9836 178.0458 25 W 4.8066 9.0825 119.6829 58.2094 30.0242 178.1755 26 D 4.9620 7.4809 124.6260 53.2929 38.4762 176.5249 27 S 4.5463 8.2924 113.4312 56.3806 64.3300 172.3056 28 Q 4.5769 7.7135 126.4574 54.3045 33.9792 174.3376 29 S 5.1192 7.5353 118.6805 56.9190 66.0841 176.4254 30 P 4.4543 0.0000 0.0000 64.2821 31.5919 176.0862 31 H 4.6280 7.5370 110.5004 54.6237 31.4364 174.7887 32 A 4.1169 8.3363 126.5800 51.4658 16.4995 176.3455 33 H 4.2841 7.1640 118.2653 53.9691 30.1696 175.7765 34 G 3.7400 8.1874 108.9640 45.1798 0.0000 173.0150 *36 Y 4.8676 7.9142 113.8634 57.9385 38.9500 176.1221 37 I 4.7353 7.6964 121.1843 59.4213 38.9196 175.7818 38 P 4.4647 0.0000 0.0000 65.8510 31.3528 178.5528 39 S 4.1636 8.2607 112.6796 60.5873 62.7652 174.8532 40 K 4.1953 8.1163 118.0151 55.6989 32.2818 175.9201 41 F 4.7523 8.1044 118.7378 54.9840 40.5870 173.3709 42 P 4.4781 0.0000 0.0000 63.6550 31.7131 176.3650 43 N 4.4790 7.9952 117.7181 53.6646 40.0492 174.7568 44 K 4.3240 7.7612 124.7830 55.0142 32.0283 175.1227 45 N 4.1145 7.7251 117.9583 53.0690 37.5307 177.2610 46 L 3.1917 5.6200 115.3781 54.2574 43.1175 177.9757 47 K 3.8773 7.8372 122.9129 57.8950 37.8190 174.5777 48 K 4.1334 9.3863 119.3628 57.3312 31.6674 177.6043 49 N 4.7641 8.5339 126.0272 52.7831 39.7594 175.2496 50 Y 4.6892 7.3356 116.5000 59.0922 38.2318 177.3480 51 C 4.7888 8.8361 120.5588 58.0042 41.8339 173.6629 52 R 4.4281 8.8760 120.0340 54.6959 34.1584 174.0276 53 N 4.9278 7.6597 112.2347 52.3436 39.1191 173.9514 54 P 4.1594 0.0000 0.0000 64.9149 32.0173 177.5159 55 D 4.6943 8.2084 114.5547 52.0312 40.6751 175.9279 56 R 3.9212 7.8435 115.4481 56.1866 28.1622 174.7920 57 E 4.1296 8.0282 118.3874 56.1538 30.8199 175.2548 58 L 3.9071 8.2158 122.9405 57.6281 42.2738 176.1467 59 R 4.4190 7.6541 118.1155 54.7151 31.7162 173.6295 *61 P 4.6665 0.0000 0.0000 62.6382 33.1909 175.0871 62 W 5.6581 8.5750 118.6553 55.4166 32.4508 170.8621 63 C 4.2119 8.9773 113.0799 54.0947 43.0357 173.3596 64 F 5.1740 7.6743 118.1051 57.7934 39.8713 175.5784 65 T 4.7937 8.9067 113.5958 60.9039 70.3605 174.7875 66 T 4.1870 7.9342 110.4797 62.2260 69.5308 174.5537 67 D 4.4694 8.1770 124.3138 53.2641 41.5149 174.9503 68 P 4.4374 0.0000 0.0000 64.2807 31.4880 176.3245 69 N 4.7344 8.5094 114.6604 52.8882 40.8292 174.2717 70 K 4.2456 7.7234 119.2848 54.3674 32.0496 175.6897 71 R 4.3350 8.4540 129.7788 57.3697 29.9637 176.5721 72 W 5.2790 8.7091 114.4032 55.8348 31.2985 176.3421 73 E 4.5097 8.8785 118.9231 54.9978 33.3245 174.5747 74 L 4.7054 8.4590 126.0920 55.3079 42.9208 176.6782 75 C 5.1078 9.2964 121.4596 55.9505 41.9506 173.1131 76 D 4.7069 8.5107 123.0791 53.4164 41.1657 175.3893 77 I 4.5329 8.0010 127.1509 58.4057 39.4204 174.0479 78 P 4.3510 0.0000 0.0000 62.6528 31.7873 176.0808 79 R 4.5785 8.5168 125.0197 56.2855 30.9941 176.4863 80 C 4.6034 8.8877 123.9010 57.2248 40.6692 173.8344 81 T 4.1672 8.2602 113.5818 61.6781 68.5718 173.8323 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 -4 T 8.16 4.21 4.12 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 1.13 0.00 0.00 -3 S 8.56 4.80 0.00 3.88 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 -2 E 8.37 4.59 0.00 2.13 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 0.00 2.26 2.48 0.00 -1 E 8.81 4.27 0.00 2.03 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 0.00 2.32 2.20 0.00 -3 C 8.57 4.88 0.00 2.92 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 -2 M 8.23 4.72 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.71 0.00 -1 H 8.81 4.65 0.00 3.26 3.24 0.00 7.12 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.03 4.45 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 0.00 0.00 0.00 5 S 7.43 4.82 0.00 3.97 4.06 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 6 G 8.05 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.03 3.72 0.00 1.93 1.98 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 2.26 2.23 0.00 8 N 8.11 4.36 0.00 2.67 3.11 0.00 0.00 7.16 7.50 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 9 Y 7.10 4.06 0.00 3.22 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 10 D 7.63 4.14 0.00 2.40 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 11 G 5.85 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 3.50 0.00 1.63 1.72 0.00 1.21 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.28 7.81 13 I 8.22 4.36 2.02 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 1.22 1.10 1.03 0.00 0.00 14 S 8.47 4.68 0.00 4.09 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 15 K 8.14 5.13 0.00 1.79 1.70 0.00 1.66 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.48 7.81 16 T 9.10 4.53 4.33 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 1.30 0.00 0.00 17 M 9.08 3.98 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 18 S 7.92 4.79 0.00 3.93 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 19 G 8.39 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 0.00 0.00 0.00 20 L 6.10 4.88 0.00 1.55 1.54 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.60 4.52 0.00 2.10 1.82 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 2.37 2.40 0.00 22 C 9.01 4.89 0.00 2.81 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 23 Q 8.65 4.46 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.69 0.00 24 A 8.62 4.15 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 25 W 9.08 4.81 0.00 3.45 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 26 D 7.48 4.96 0.00 2.91 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 27 S 8.29 4.55 0.00 3.83 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 28 Q 7.71 4.58 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.03 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 29 S 7.54 5.12 0.00 3.99 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 30 P 0.00 4.45 0.00 1.89 2.08 0.00 3.86 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 1.95 2.11 0.00 31 H 7.54 4.63 0.00 3.25 3.19 0.00 5.75 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 32 A 8.34 4.12 1.22 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 0.00 0.00 0.00 33 H 7.16 4.28 0.00 2.52 2.47 0.00 5.72 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 34 G 8.19 3.74 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 0.00 0.00 0.00 *36 Y 7.91 4.87 0.00 3.73 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 37 I 7.70 4.74 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.85 1.02 0.00 0.00 38 P 0.00 4.46 0.00 2.27 2.20 0.00 3.82 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 39 S 8.26 4.16 0.00 3.87 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 40 K 8.12 4.20 0.00 1.22 1.29 0.00 1.53 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.28 7.81 41 F 8.10 4.75 0.00 2.99 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.48 0.00 2.19 2.18 0.00 3.80 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 43 N 8.00 4.48 0.00 2.82 2.86 0.00 0.00 6.97 6.66 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 44 K 7.76 4.32 0.00 1.79 1.66 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.46 7.81 45 N 7.73 4.11 0.00 2.32 2.42 0.00 0.00 5.56 5.12 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 46 L 5.62 3.19 0.00 1.30 1.33 -0.87 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.84 3.88 0.00 1.72 1.62 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.52 7.81 48 K 9.39 4.13 0.00 1.20 1.35 0.00 1.69 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.30 7.81 49 N 8.53 4.76 0.00 2.64 2.80 0.00 0.00 6.15 7.75 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 50 Y 7.34 4.69 0.00 2.90 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 51 C 8.84 4.79 0.00 3.20 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 8.88 4.43 0.00 0.82 1.29 0.00 3.28 0.00 0.00 2.90 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.94 0.00 53 N 7.66 4.93 0.00 2.62 2.61 0.00 0.00 7.20 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.16 0.00 1.72 1.90 0.00 3.17 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.17 0.00 55 D 8.21 4.69 0.00 2.77 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 56 R 7.84 3.92 0.00 2.07 2.18 0.00 3.24 0.00 0.00 3.02 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 57 E 8.03 4.13 0.00 2.10 2.41 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 2.42 2.60 0.00 58 L 8.22 3.91 0.00 1.79 1.63 0.94 1.05 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 59 R 7.65 4.42 0.00 1.97 1.85 0.00 3.32 0.00 0.00 3.47 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 *61 P 0.00 4.67 0.00 2.24 2.36 0.00 3.88 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.62 0.00 62 W 8.57 5.66 0.00 3.71 3.38 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 63 C 8.98 4.21 0.00 2.38 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 64 F 7.67 5.17 0.00 2.85 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 65 T 8.91 4.79 4.25 0.00 0.00 0.00 0.00 0.00 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 66 T 7.93 4.19 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 67 D 8.18 4.47 0.00 2.77 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.44 0.00 2.06 2.07 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 69 N 8.51 4.73 0.00 2.81 2.80 0.00 0.00 6.79 7.17 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 70 K 7.72 4.25 0.00 1.60 1.72 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.60 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.44 1.42 7.81 71 R 8.45 4.33 0.00 2.16 1.94 0.00 3.42 0.00 0.00 3.68 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.09 0.00 72 W 8.71 5.28 0.00 2.89 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 73 E 8.88 4.51 0.00 1.93 1.76 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 2.12 2.05 0.00 74 L 8.46 4.71 0.00 1.69 1.67 0.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 C 9.30 5.11 0.00 3.01 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 76 D 8.51 4.71 0.00 2.70 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 77 I 8.00 4.53 1.61 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.51 0.23 0.00 0.00 78 P 0.00 4.35 0.00 2.06 2.05 0.00 3.65 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 2.16 1.96 0.00 79 R 8.52 4.58 0.00 1.81 1.86 0.00 3.27 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 80 C 8.89 4.60 0.00 2.93 3.07 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 81 T 8.26 4.17 4.23 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 1.26 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.