NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7197 8.3044 118.3339 55.3669 32.6675 173.9522 2 V 4.1830 8.8728 125.1305 60.1782 33.4994 172.9258 3 Q 5.1799 8.4507 128.0235 54.7297 32.9541 173.6226 4 Q 4.5457 8.3701 120.0861 55.2650 33.2502 172.6621 5 K 4.9066 8.7801 125.9249 55.2471 33.6365 175.9888 6 V 4.4750 8.8545 123.9117 61.2718 35.9355 175.3330 7 E 4.5519 8.4047 125.3495 56.1623 32.0394 175.9560 8 V 5.0621 7.7320 108.9080 61.3058 31.9248 174.8142 9 R 3.9327 7.9993 118.7885 58.0758 30.5849 177.3933 10 L 4.1202 7.8408 119.0251 54.7790 42.1606 177.5644 11 K 4.1454 8.5215 121.2180 59.1611 32.4070 178.4025 12 T 4.2170 7.8576 113.0275 63.1300 69.8403 176.8191 13 G 3.7919 7.8081 108.4840 45.8414 0.0000 174.7732 14 L 4.5103 8.4836 117.4876 53.7526 40.8565 174.1898 15 Q 4.4261 6.9476 117.9122 54.5020 33.7722 175.5899 16 A 3.9622 8.4360 120.7285 52.0941 17.7387 177.2033 17 R 3.9321 8.5731 113.5443 59.3809 29.7125 177.1139 18 P 4.3674 0.0000 0.0000 66.1275 31.4694 177.5285 19 A 4.0627 8.0657 118.4377 55.8304 18.1079 179.1918 20 A 4.0166 8.1375 117.8642 55.5246 18.3481 179.9964 21 L 4.0007 8.8110 117.8145 57.6628 41.6667 178.9817 22 F 3.6717 8.5467 121.1760 61.4085 39.1807 177.4345 23 V 3.5435 7.5188 118.1709 65.6321 31.1276 178.0121 24 Q 3.9312 7.5534 116.1363 58.7583 28.8561 178.0379 25 E 3.9017 8.8034 120.7332 59.1899 29.4186 178.6253 26 A 4.0204 7.6208 119.9649 55.2494 18.2440 178.7328 27 N 4.5006 7.7033 112.3337 54.5117 38.3150 176.3804 28 R 4.1923 7.1022 119.0942 55.9064 30.0193 176.0504 29 F 5.1653 7.2918 116.0178 55.8949 42.1510 175.6772 30 T 4.0226 8.7166 121.3627 66.1736 68.5468 175.4970 31 S 4.1674 7.7693 117.9446 58.3251 63.1668 173.7733 32 D 4.4257 8.8604 125.1055 55.3632 41.5330 175.8915 33 I 5.0789 8.0924 122.4437 59.7309 41.3894 174.2996 34 F 5.1110 9.4460 122.1090 56.1257 44.3838 173.3915 35 L 5.1572 9.0253 121.7389 53.8031 45.3915 174.7885 36 E 5.0576 9.6955 126.5342 54.9091 32.0936 175.3428 37 K 4.3535 8.9673 124.7083 54.9405 35.3382 175.4647 38 D 4.2006 9.9225 127.3629 55.5681 38.8470 174.1396 39 G 4.0131 8.3265 111.2798 45.8815 0.0000 175.4380 40 K 4.4863 8.2698 120.8615 54.3269 33.3262 175.7339 41 K 5.1381 8.5231 122.1739 55.0733 35.2694 175.4228 42 V 4.7555 8.4462 114.1173 58.9965 36.2328 174.2840 43 N 4.1171 8.7718 120.6507 53.7874 38.7215 174.3322 44 A 4.2442 8.2389 126.7280 51.4843 19.7014 177.5939 45 K 4.3788 7.3580 116.1978 55.2979 31.8678 176.1133 *47 I 4.2051 7.3969 122.3124 61.7048 39.4706 178.1964 48 M 4.0753 8.2213 118.3027 59.2375 31.8966 178.4183 49 G 3.7126 8.1463 104.7460 47.6257 0.0000 174.5838 50 L 3.9815 7.9606 121.8763 58.1613 42.3247 179.3735 51 M 4.3166 8.0605 117.0317 57.7773 31.7074 178.5772 52 S 4.3603 8.1228 114.7069 60.5973 63.3093 175.4121 53 L 4.0622 7.6220 118.2661 55.2535 41.9604 176.6238 54 A 3.6474 7.2007 117.7874 53.0502 16.0041 174.9978 55 I 4.1153 7.4279 120.1054 59.5190 37.8895 176.3354 56 S 4.8584 8.2406 120.1630 56.2239 65.1467 173.7259 57 T 3.9832 8.1362 117.0331 65.2119 68.6239 175.7091 58 G 4.3273 8.7379 111.1180 46.0008 0.0000 174.3621 59 T 4.1967 7.3351 115.9383 63.3788 69.2135 173.7541 60 E 4.9625 8.6740 126.0457 54.7722 31.6852 174.9756 61 I 4.7740 9.2440 119.9534 59.6060 41.7397 174.0396 62 T 4.9315 8.2675 121.0113 62.9807 69.8924 173.6194 63 L 5.2575 9.4423 126.6377 54.0081 43.6317 175.4229 64 I 5.0234 8.8772 122.2215 59.6712 41.1062 174.5824 65 A 5.1229 8.8512 126.7846 50.6430 22.5803 175.1105 66 Q 4.8601 9.7024 121.3397 55.7307 30.5012 175.2712 67 G 4.0391 8.8533 114.6206 45.3697 0.0000 172.1190 68 E 3.8397 8.2972 120.5817 58.6509 29.9839 178.0120 69 D 5.8500 7.9563 118.2290 52.0794 40.2667 178.3394 70 E 3.7011 8.6317 121.6458 60.6325 29.5478 177.7022 71 Q 3.8166 7.8842 119.8911 58.9317 29.4488 177.3194 72 E 3.8634 8.1699 118.8137 60.4403 29.5715 178.4443 73 A 2.0000 8.1581 119.5102 54.1983 18.1256 179.1370 74 L 3.7265 7.9177 116.1005 57.8373 42.6562 179.1264 75 E 3.8712 8.6113 119.1928 59.7230 29.4135 179.0630 76 K 4.0512 7.9600 117.2463 59.9244 32.3140 178.8333 77 L 4.1332 8.1621 118.6493 58.0772 41.6077 179.1976 78 A 4.0487 8.2885 119.4743 55.5340 18.1986 179.2802 79 A 3.9652 7.6453 117.1564 55.6939 18.7384 178.8924 80 Y 4.1699 8.4980 118.0518 61.1128 39.0775 178.6293 81 V 3.6886 8.2550 118.6815 65.5736 31.3691 177.2956 82 Q 4.1079 7.7731 116.0715 56.3908 28.5622 176.7901 83 E 3.9767 8.0742 125.5299 57.2050 30.4835 173.8139 84 E 4.1508 7.8384 120.5926 56.5803 29.6052 176.3725 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 8.30 4.72 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 2 V 8.87 4.18 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 0.87 0.00 0.00 0.96 0.00 0.00 3 Q 8.45 5.18 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.47 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 4 Q 8.37 4.55 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.61 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 5 K 8.78 4.91 0.00 1.68 1.73 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.69 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.43 7.81 6 V 8.85 4.47 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.96 0.00 0.00 7 E 8.40 4.55 0.00 2.08 1.83 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 2.35 2.34 0.00 8 V 7.73 5.06 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 1.23 0.00 0.00 0.86 0.00 0.00 9 R 8.00 3.93 0.00 1.95 2.23 0.00 3.22 0.00 0.00 3.31 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 10 L 7.84 4.12 0.00 1.54 1.59 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.52 4.15 0.00 1.72 1.84 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.37 7.81 12 T 7.86 4.22 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 1.27 0.00 0.00 13 G 7.81 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 0.00 0.00 0.00 14 L 8.48 4.51 0.00 1.68 1.64 0.69 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 6.95 4.43 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.97 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 16 A 8.44 3.96 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 17 R 8.57 3.93 0.00 1.91 1.99 0.00 3.23 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 18 P 0.00 4.37 0.00 2.38 2.13 0.00 3.91 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 19 A 8.07 4.06 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.14 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 21 L 8.81 4.00 0.00 2.09 1.95 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.55 3.67 0.00 2.98 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 23 V 7.52 3.54 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 1.05 0.00 0.00 0.92 0.00 0.00 24 Q 7.55 3.93 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 25 E 8.80 3.90 0.00 1.97 1.89 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 2.20 2.35 0.00 26 A 7.62 4.02 1.06 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 0.00 0.00 27 N 7.70 4.50 0.00 2.79 2.77 0.00 0.00 7.01 8.67 0.00 0.00 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 R 7.10 4.19 0.00 1.16 1.40 0.00 3.01 0.00 0.00 3.03 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.35 0.00 29 F 7.29 5.17 0.00 3.08 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 30 T 8.72 4.02 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 1.22 0.00 0.00 31 S 7.77 4.17 0.00 3.92 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 32 D 8.86 4.43 0.00 2.77 2.71 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 0.00 0.00 0.00 33 I 8.09 5.08 1.72 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.76 0.82 0.00 0.00 34 F 9.45 5.11 0.00 2.88 2.90 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 35 L 9.03 5.16 0.00 1.88 1.60 1.08 1.14 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 36 E 9.70 5.06 0.00 2.11 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 0.00 2.26 2.25 0.00 37 K 8.97 4.35 0.00 1.74 1.65 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.56 7.81 38 D 9.92 4.20 0.00 2.78 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 39 G 8.33 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 0.00 0.00 0.00 40 K 8.27 4.49 0.00 1.87 1.76 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.37 7.81 41 K 8.52 5.14 0.00 2.00 1.76 0.00 1.29 0.00 0.00 1.53 0.00 0.00 2.76 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.24 1.43 7.81 42 V 8.45 4.76 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.03 0.00 0.00 43 N 8.77 4.12 0.00 2.61 2.60 0.00 0.00 6.92 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 44 A 8.24 4.24 1.05 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 0.00 0.00 45 K 7.36 4.38 0.00 1.74 1.77 0.00 1.60 0.00 0.00 1.61 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.20 7.81 *47 I 7.40 4.21 1.87 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 1.41 0.81 0.92 0.00 0.00 48 M 8.22 4.08 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 49 G 8.15 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.96 3.98 0.00 1.77 1.78 1.13 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 51 M 8.06 4.32 0.00 2.15 2.34 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 52 S 8.12 4.36 0.00 4.05 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 53 L 7.62 4.06 0.00 1.85 1.75 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.20 3.65 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 55 I 7.43 4.12 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.47 0.90 0.00 0.00 56 S 8.24 4.86 0.00 3.96 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 57 T 8.14 3.98 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 1.19 0.00 0.00 58 G 8.74 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 0.00 0.00 0.00 0.00 59 T 7.34 4.20 4.29 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 1.21 0.00 0.00 60 E 8.67 4.96 0.00 1.96 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 2.21 2.34 0.00 61 I 9.24 4.77 2.09 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 1.23 0.72 0.96 0.00 0.00 62 T 8.27 4.93 4.36 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 1.26 0.00 0.00 63 L 9.44 5.26 0.00 1.97 1.84 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.88 5.02 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.57 0.97 0.00 0.00 65 A 8.85 5.12 1.15 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 66 Q 9.70 4.86 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 67 G 8.85 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 68 E 8.30 3.84 0.00 1.95 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 0.00 2.32 2.37 0.00 69 D 7.96 5.85 0.00 2.83 2.89 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 70 E 8.63 3.70 0.00 2.22 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 2.48 2.28 0.00 71 Q 7.88 3.82 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 72 E 8.17 3.86 0.00 2.19 2.08 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 2.46 2.48 0.00 73 A 8.16 2.00 0.68 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 0.00 0.00 74 L 7.92 3.73 0.00 1.93 1.65 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.61 3.87 0.00 2.28 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 0.00 2.34 2.39 0.00 76 K 7.96 4.05 0.00 2.20 2.07 0.00 1.89 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.63 1.95 7.81 77 L 8.16 4.13 0.00 1.79 1.97 0.72 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.29 4.05 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 79 A 7.65 3.97 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 8.50 4.17 0.00 3.24 3.27 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 0.00 81 V 8.26 3.69 2.09 0.00 0.00 0.00 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 0.70 0.00 0.00 82 Q 7.77 4.11 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 5.76 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 83 E 8.07 3.98 0.00 2.13 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 0.00 2.16 2.20 0.00 84 E 7.84 4.15 0.00 2.05 1.84 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 2.30 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.