NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6269 8.1476 118.3366 55.5790 34.3357 173.3848 2 V 4.3620 8.3113 117.0338 60.4318 34.0079 174.0993 3 K 4.9134 9.9793 123.0359 54.9920 38.0043 176.3510 4 I 4.9528 9.5859 122.2503 60.1074 39.3229 175.0465 5 R 4.8444 9.5990 125.4647 55.1451 33.0848 173.4883 6 L 5.0039 8.8961 117.2091 52.7891 43.0868 176.7006 7 A 4.5605 8.5560 123.4540 49.6970 20.9655 175.4248 8 R 3.3165 8.2531 121.2150 57.1564 30.7668 176.6570 9 F 4.2032 8.3912 124.1674 53.9758 47.9671 176.7331 10 G 3.8782 9.5957 118.3835 47.6426 0.0000 175.6696 11 S 4.3921 7.7814 119.4006 57.2042 66.0814 172.4646 12 K 3.9577 8.6099 122.2631 58.4441 32.4421 177.9868 13 H 4.2604 8.8906 120.8272 56.5235 26.9094 174.2677 14 N 5.0463 7.5262 118.1381 51.6835 39.1441 172.3671 15 P 4.1145 0.0000 0.0000 63.6251 31.9846 176.9600 16 H 4.6569 8.5857 121.1083 54.9542 32.1750 172.7226 17 Y 4.7007 9.0072 122.3654 57.0973 40.6320 175.1331 18 R 4.9165 8.5165 118.3359 54.5740 34.0420 175.3233 19 I 4.2023 8.4428 126.4353 61.8079 37.9755 176.0226 20 V 4.7229 10.1109 126.2550 60.1330 35.7059 174.0416 21 V 5.3004 8.0019 120.6891 60.0062 33.2526 174.6932 22 T 4.8972 7.9512 119.9082 60.9978 71.3576 170.4885 23 D 5.1063 8.5725 119.4531 52.7020 42.6438 177.8955 24 A 3.9359 9.0710 128.4290 55.6729 18.4787 179.3096 25 R 4.0337 8.5967 113.6221 59.3577 30.5139 177.3999 26 R 3.8307 7.5399 115.0675 55.3018 30.7190 176.4544 27 K 4.1749 8.3302 120.3582 56.2733 32.9604 176.0103 28 R 3.8400 7.9035 119.3230 59.5773 30.0191 177.3635 29 D 4.5297 8.0230 120.1829 54.0332 41.3416 177.3622 30 G 4.0356 7.7557 112.5852 45.2209 0.0000 173.6296 31 K 4.2424 8.5965 124.6508 55.1049 33.1143 176.1628 32 Y 4.8163 7.5599 124.1710 55.1916 40.2385 175.6423 33 I 3.9001 8.3533 123.1503 64.3230 37.7541 176.1346 34 E 4.9039 7.9305 119.7952 55.0789 33.0210 173.4598 35 K 4.5196 9.0174 127.4659 55.5729 31.3904 175.7952 36 I 4.2534 8.2330 120.6662 62.6538 40.1650 175.1839 37 G 4.3049 7.4880 107.3952 46.0398 0.0000 171.0481 38 Y 5.5250 7.0497 117.2795 56.1527 41.8988 173.4063 39 Y 5.0486 8.4598 116.5381 57.1549 42.7512 172.3386 40 D 4.6353 8.3261 124.6287 51.7457 43.5221 174.6246 41 P 3.6287 0.0000 0.0000 64.2145 32.1318 177.4294 42 R 3.8519 7.8486 117.1145 56.1285 30.3879 177.4042 43 K 2.9134 7.1029 115.7129 56.5633 30.4140 176.8860 44 T 3.8740 7.2911 109.4716 63.9385 68.5749 173.7935 45 T 4.6735 7.3076 116.7512 59.2831 68.9502 172.6983 46 P 4.5194 0.0000 0.0000 65.1625 31.7869 175.9829 47 D 4.8408 7.7145 117.9977 51.9429 41.5323 175.4388 48 W 4.8288 8.0582 129.6607 57.9733 28.4327 181.4918 49 L 3.8562 8.3305 110.2078 56.3076 38.7392 174.5904 50 K 4.2390 7.1919 123.1806 54.7078 34.0275 175.2186 51 V 4.3372 7.6943 122.1589 61.5793 35.5140 174.6439 52 D 4.9498 7.7817 120.1622 51.5926 40.3472 176.5511 53 V 3.6277 7.7726 116.1186 64.6942 31.6989 177.6906 54 E 4.0553 8.0484 117.3249 59.2413 29.7984 178.8521 55 R 4.0052 8.4781 117.2832 59.3386 30.3377 178.8678 56 A 4.1912 8.0606 120.6274 55.5574 18.0693 179.6710 57 R 3.7617 7.4276 114.4967 60.0044 30.5005 177.9382 58 Y 4.0090 7.7761 119.7891 60.3006 38.5076 178.2336 59 W 4.4317 8.2175 118.6014 60.2109 28.9633 178.5017 60 L 4.0648 8.0272 118.3381 57.3421 40.7355 179.3478 61 S 3.9679 8.0546 114.1691 60.4162 63.0513 175.9553 62 V 3.9577 7.2844 113.3475 60.8070 31.8097 175.6019 63 G 3.7478 7.6801 106.8550 45.2829 0.0000 174.3923 64 A 4.2929 7.9391 122.1052 52.7648 19.1397 177.0202 65 Q 4.7454 8.5381 115.5651 53.5987 33.1723 172.7756 66 P 5.7010 0.0000 0.0000 60.5039 33.8505 175.2693 67 T 4.0775 8.3413 118.5241 63.5077 69.4909 175.0316 68 D 4.3853 9.0465 126.3727 58.0436 40.9231 179.1940 69 T 4.3516 7.8250 104.4558 61.8213 68.6364 174.7128 70 A 4.5327 8.1896 124.8516 52.1123 21.9339 179.5319 71 R 4.1887 8.4836 113.7124 59.0492 29.3322 178.7125 72 R 3.8191 8.0469 119.3508 59.6505 29.5339 177.8204 73 L 4.1204 7.4639 114.8480 56.1327 41.5047 178.2182 74 L 4.2592 8.3142 119.5506 55.1574 42.8682 178.2066 75 R 4.2175 8.4707 119.2342 58.5381 30.0376 178.2773 76 Q 3.8367 7.9377 116.1369 59.1944 28.8468 177.2927 77 A 3.9110 7.7736 116.5241 53.0355 18.1419 178.8806 78 G 3.8291 7.3879 98.7563 47.2176 0.0000 173.7620 79 V 4.1819 9.0097 129.2693 63.4469 33.2960 178.2695 80 F 4.0364 9.1363 117.5855 60.4423 39.4510 177.4953 81 R 3.4842 7.4932 117.6154 57.9200 26.5875 176.1014 82 Q 4.2788 7.8746 114.0255 56.2284 29.0559 176.4556 83 E 3.6582 7.9518 117.3163 55.1923 28.8700 174.4113 *84 A 4.1104 8.3340 120.7856 52.8951 18.9361 176.5592 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 4.36 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 0.97 0.00 0.00 3 K 9.98 4.91 0.00 1.62 1.69 0.00 1.61 0.00 0.00 1.65 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 9.59 4.95 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 0.81 0.93 0.00 0.00 5 R 9.60 4.84 0.00 1.72 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 8.90 5.00 0.00 1.78 2.16 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.56 4.56 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 8 R 8.25 3.32 0.00 1.46 1.56 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 1.32 0.93 0.00 9 F 8.39 4.20 0.00 3.26 2.34 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 10 G 9.60 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 0.00 0.00 0.00 11 S 7.78 4.39 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 8.61 3.96 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 2.99 0.00 0.00 0.00 0.00 1.24 1.30 7.81 13 H 8.89 4.26 0.00 3.36 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.53 5.05 0.00 2.72 2.79 0.00 0.00 7.14 7.55 0.00 0.00 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 4.11 0.00 2.09 2.31 0.00 3.73 0.00 0.00 3.62 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 8.59 4.66 0.00 3.18 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 9.01 4.70 0.00 3.21 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 18 R 8.52 4.92 0.00 1.98 1.76 0.00 3.07 0.00 0.00 2.99 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 19 I 8.44 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 1.31 1.13 0.90 0.00 0.00 20 V 10.11 4.72 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 0.81 0.00 0.00 0.54 0.00 0.00 21 V 8.00 5.30 1.47 0.00 0.00 0.00 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 0.13 0.00 0.00 22 T 7.95 4.90 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 1.22 0.00 0.00 23 D 8.57 5.11 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 9.07 3.94 1.36 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 0.00 0.00 25 R 8.60 4.03 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 7.54 3.83 0.00 2.06 1.91 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 1.87 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 1.50 7.81 28 R 7.90 3.84 0.00 1.78 1.78 0.00 3.27 0.00 0.00 3.25 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 29 D 8.02 4.53 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 7.76 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 31 K 8.60 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 2.82 0.00 0.00 0.00 0.00 1.26 1.25 7.81 32 Y 7.56 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 8.35 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 1.19 0.64 0.89 0.00 0.00 34 E 7.93 4.90 0.00 2.16 1.71 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 0.00 2.42 2.44 0.00 35 K 9.02 4.52 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 4.25 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 1.36 0.74 1.02 0.00 0.00 37 G 7.49 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 0.00 0.00 0.00 0.00 38 Y 7.05 5.53 0.00 3.26 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 5.05 0.00 3.05 2.93 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 40 D 8.33 4.64 0.00 2.75 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 0.00 0.00 0.00 41 P 0.00 3.63 0.00 2.07 1.90 0.00 3.22 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.97 0.00 42 R 7.85 3.85 0.00 1.88 1.89 0.00 3.23 0.00 0.00 3.15 7.34 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 7.10 2.91 0.00 1.61 1.58 0.00 1.50 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 0.73 7.81 44 T 7.29 3.87 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 1.17 0.00 0.00 45 T 7.31 4.67 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 1.53 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 7.71 4.84 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 8.06 4.83 0.00 3.74 2.93 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 49 L 8.33 3.86 0.00 2.50 1.79 0.91 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 7.19 4.24 0.00 1.43 0.74 0.00 1.47 0.00 0.00 1.53 0.00 0.00 3.23 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.46 7.81 51 V 7.69 4.34 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 0.86 0.00 0.00 0.87 0.00 0.00 52 D 7.78 4.95 0.00 2.96 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 7.77 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 0.81 0.00 0.00 0.92 0.00 0.00 54 E 8.05 4.06 0.00 2.07 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 8.48 4.01 0.00 1.97 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 1.91 0.00 56 A 8.06 4.19 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 57 R 7.43 3.76 0.00 2.06 2.00 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 2.78 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 59 W 8.22 4.43 0.00 3.54 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 1.78 1.67 0.64 1.07 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 8.05 3.97 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 3.96 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 -0.15 0.00 0.00 0.77 0.00 0.00 63 G 7.68 3.75 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 0.00 0.00 0.00 64 A 7.94 4.29 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 65 Q 8.54 4.75 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 66 P 0.00 5.70 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 8.34 4.08 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 7.83 4.35 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 8.19 4.53 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 71 R 8.48 4.19 0.00 2.18 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 8.05 3.82 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 7.46 4.12 0.00 1.68 1.51 0.70 -0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.31 4.26 0.00 2.33 1.78 1.00 0.62 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 8.47 4.22 0.00 1.56 1.99 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 3.84 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 77 A 7.77 3.91 1.25 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 0.00 0.00 78 G 7.39 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 9.01 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 0.90 0.00 0.00 0.93 0.00 0.00 80 F 9.14 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 3.48 0.00 2.13 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 7.87 4.28 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 5.63 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 83 E 7.95 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 8.33 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.