NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.1863 8.1701 110.9449 62.3808 70.2883 172.5266 4 A 3.8791 8.7588 128.0273 52.9007 17.3483 177.2931 5 Y 4.1687 8.5318 113.6812 60.0582 39.7881 176.0906 6 D 4.4715 8.3349 117.9660 56.9776 41.0307 177.8297 7 V 3.7305 7.4967 119.3489 66.2843 31.6575 175.6848 8 I 4.0220 7.6063 121.2177 61.6372 37.3419 174.6210 9 L 4.6221 9.0541 126.1495 56.3505 43.1249 175.9203 10 A 4.7714 7.7648 117.9019 50.9281 22.4499 172.1924 11 P 5.4952 0.0000 0.0000 60.8024 33.8814 174.4317 12 V 3.4796 7.8988 106.3774 61.7901 31.4584 176.1080 13 L 4.0017 10.0104 120.3522 56.9889 39.0341 175.0063 14 S 4.2835 6.7156 111.2547 55.7955 68.0485 173.9173 15 E 3.9509 8.5328 124.0964 59.9259 29.0641 179.5187 16 K 3.7834 7.6853 117.5966 59.1266 32.3307 177.9616 17 A 3.7935 7.5499 120.6355 55.4514 17.8249 179.1255 18 Y 3.1304 7.9548 115.2721 60.9210 37.8967 178.3837 19 A 4.1748 7.4467 119.1769 54.2803 18.3209 178.9670 20 G 3.4674 7.2434 103.5785 46.3843 0.0000 175.9067 21 F 3.9664 8.4602 119.0142 59.3251 38.5844 175.7860 22 A 3.8335 6.7650 122.5783 55.2449 18.3158 179.3842 23 E 4.2821 7.9015 116.8309 54.7723 31.6159 178.3091 24 G 4.0877 8.3912 106.2881 46.8680 0.0000 174.4387 25 K 4.9848 7.6396 117.6589 54.7001 33.5575 175.4422 26 Y 4.3337 8.9589 121.6977 56.5782 40.3996 174.4769 27 T 4.7913 8.3689 117.8487 58.8232 69.3383 172.1053 28 F 5.3535 7.9426 122.6222 53.9464 41.9268 174.7109 29 W 4.3482 8.4176 120.1376 57.3889 29.8369 176.1782 30 V 4.8594 8.1485 118.2678 59.4364 34.9541 174.2385 31 H 4.5002 8.7055 121.6434 55.8131 30.0455 174.0146 32 P 4.0399 0.0000 0.0000 66.5251 31.1099 177.5511 33 K 4.1011 7.6395 114.3143 56.1947 31.5972 177.0823 34 A 5.1909 8.0244 122.2795 51.5973 19.5534 178.1775 35 T 4.6844 8.2404 115.9526 61.7498 71.7290 175.8934 36 K 4.4772 8.3434 121.3788 58.3487 32.3457 178.3428 37 T 4.1188 7.5356 117.3361 65.2886 69.7926 175.9295 38 E 3.9619 7.9727 120.7262 59.1905 29.4701 178.7294 39 I 3.7348 8.3678 119.8082 64.9272 37.5432 177.6320 40 K 3.7339 7.5960 118.5334 60.5869 31.6435 177.5565 41 N 4.2103 8.3214 114.5721 56.7038 38.5158 177.3952 42 A 4.0345 7.4576 118.7063 52.8395 19.3379 177.7520 43 V 4.3264 9.6939 119.4140 65.9880 33.8305 177.3438 44 E 4.9869 8.5074 114.0510 57.0746 29.0685 177.5846 45 T 4.6574 7.7844 109.4204 60.9294 68.9182 174.4357 46 A 4.5699 8.1381 121.1017 53.6061 22.3970 177.8213 47 F 4.5522 8.2341 110.0907 56.7026 43.2779 174.4185 48 K 4.1600 7.9624 118.6194 56.7777 29.3063 172.3151 49 V 4.5330 7.1201 112.3575 59.3061 36.1152 174.3449 50 K 4.7880 9.1312 121.7396 54.8974 34.4032 174.9956 51 V 4.4803 8.4442 127.7346 62.1534 31.6699 175.2964 52 V 4.1429 8.7134 128.5908 63.9994 32.7733 175.9637 53 K 4.6969 7.7917 120.1720 54.6247 36.0171 175.3111 54 V 4.7040 8.3394 125.3143 61.5211 34.2709 173.8204 55 N 5.0665 8.9895 125.7462 51.9009 41.0414 174.0308 56 T 5.0415 8.0656 116.2852 60.2082 71.6218 172.0119 57 L 4.4876 7.8250 122.1696 55.8041 44.0383 173.6301 58 H 4.8604 8.8992 117.8586 55.5346 31.0425 175.6462 59 V 4.2902 8.3536 119.3511 61.8939 33.5253 172.6947 60 R 4.7718 8.1805 127.9974 55.7223 30.5650 176.0676 61 G 4.2591 9.0272 114.3063 45.8249 0.0000 172.9775 62 K 4.1837 8.8981 125.7545 56.9068 33.2774 175.9893 63 K 4.6511 8.6161 124.1960 56.1924 33.8594 176.2014 64 K 4.7572 8.6411 123.0558 54.5944 36.6258 175.5128 65 R 4.6604 8.3894 121.6516 55.0390 32.4897 176.1705 66 L 4.2152 8.7186 122.4830 54.8524 43.6996 175.2144 67 G 3.9395 8.4831 118.9734 46.4004 0.0000 172.9126 68 R 4.0991 8.6346 121.8270 56.4101 29.6722 175.7096 69 Y 4.5476 7.9904 117.5100 56.4645 39.6038 174.2989 70 L 4.9831 8.5571 126.8875 53.2885 44.4596 175.8533 71 G 4.0902 8.5389 113.1148 44.9248 0.0000 171.0556 72 K 4.7369 8.2305 117.2812 54.9496 36.4513 176.4162 73 R 4.4377 8.8608 122.8098 54.6695 31.5508 174.4967 74 P 4.6026 0.0000 0.0000 63.3730 32.2427 175.4166 75 D 4.7945 8.6532 121.4517 54.4447 42.4206 175.7350 76 R 5.0695 8.4351 121.3691 54.4117 34.3766 175.1356 77 K 5.2510 8.8020 117.5726 54.5113 32.3327 175.6120 78 K 3.9911 8.1328 122.1111 56.9804 33.6064 177.1599 79 A 4.6616 8.2027 121.5595 51.0886 23.1692 175.5632 80 I 4.3487 8.5186 116.8208 59.7707 40.3321 175.2347 81 V 4.9049 8.9080 117.1961 59.7051 35.3822 174.2980 82 Q 5.5698 9.4616 127.4286 54.6362 30.5094 174.2443 83 V 4.8246 8.2169 125.8394 60.8579 33.2178 174.6774 84 A 4.0747 8.6975 128.9179 50.9208 19.6795 175.0807 85 P 4.1120 0.0000 0.0000 64.7662 30.6782 174.9894 86 G 4.2768 8.9564 119.2177 44.3561 0.0000 173.1832 87 Q 4.0118 7.0762 120.4580 54.6902 30.2519 177.5420 88 K 4.2836 7.8852 114.6540 56.3886 34.8037 174.6416 89 I 4.1338 7.2463 123.1493 60.3746 37.8464 176.9324 90 E 4.0384 8.9692 125.5324 59.1574 29.6470 178.8795 91 A 4.0417 8.1063 120.5037 54.4731 18.5696 177.6971 92 L 4.6687 7.5616 112.3381 54.7235 43.8839 178.3115 93 E 3.6210 8.0867 118.1807 59.1070 29.1810 178.5959 94 G 3.3971 7.3099 109.9779 48.4716 0.0000 174.2629 *95 L 4.1219 7.6000 124.9795 53.5988 41.6291 178.8501 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 3 T 8.17 4.19 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 1.21 0.00 0.00 4 A 8.76 3.88 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 5 Y 8.53 4.17 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.33 4.47 0.00 2.66 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 7 V 7.50 3.73 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 0.95 0.00 0.00 0.92 0.00 0.00 8 I 7.61 4.02 1.81 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 1.05 0.28 0.38 0.00 0.00 9 L 9.05 4.62 0.00 1.72 1.76 1.08 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.76 4.77 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 11 P 0.00 5.50 0.00 2.49 2.43 0.00 4.05 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 12 V 7.90 3.48 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 0.69 0.00 0.00 1.31 0.00 0.00 13 L 10.01 4.00 0.00 1.99 2.07 1.17 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 14 S 6.72 4.28 0.00 3.57 3.47 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 0.00 0.00 0.00 0.00 15 E 8.53 3.95 0.00 2.01 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 2.36 2.44 0.00 16 K 7.69 3.78 0.00 1.67 1.65 0.00 1.78 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.40 7.81 17 A 7.55 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.95 3.13 0.00 2.88 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 19 A 7.45 4.17 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 20 G 7.24 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.46 3.97 0.00 3.01 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 22 A 6.76 3.83 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 23 E 7.90 4.28 0.00 1.92 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 2.30 2.35 0.00 24 G 8.39 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.64 4.98 0.00 1.68 1.58 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.54 7.81 26 Y 8.96 4.33 0.00 2.63 2.47 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 0.00 0.00 0.00 0.00 27 T 8.37 4.79 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 0.89 0.00 0.00 28 F 7.94 5.35 0.00 3.31 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 W 8.42 4.35 0.00 3.31 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 30 V 8.15 4.86 2.15 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 0.79 0.00 0.00 1.12 0.00 0.00 31 H 8.71 4.50 0.00 3.36 3.23 0.00 5.82 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.04 0.00 2.13 2.12 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.98 0.00 33 K 7.64 4.10 0.00 1.74 1.89 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.38 7.81 34 A 8.02 5.19 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 35 T 8.24 4.68 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 1.25 0.00 0.00 36 K 8.34 4.48 0.00 1.99 2.05 0.00 1.47 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.53 7.81 37 T 7.54 4.12 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 1.21 0.00 0.00 38 E 7.97 3.96 0.00 2.22 1.96 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 2.38 2.41 0.00 39 I 8.37 3.73 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.96 0.97 0.00 0.00 40 K 7.60 3.73 0.00 1.84 1.98 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.54 7.81 41 N 8.32 4.21 0.00 2.81 2.81 0.00 0.00 7.04 7.42 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 42 A 7.46 4.03 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 43 V 9.69 4.33 2.31 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 1.02 0.00 0.00 1.01 0.00 0.00 44 E 8.51 4.99 0.00 2.49 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 0.00 2.41 2.21 0.00 45 T 7.78 4.66 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 1.24 0.00 0.00 46 A 8.14 4.57 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.55 0.00 2.92 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 48 K 7.96 4.16 0.00 1.83 1.81 0.00 1.74 0.00 0.00 0.61 0.00 0.00 2.77 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.41 7.81 49 V 7.12 4.53 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 0.81 0.00 0.00 0.91 0.00 0.00 50 K 9.13 4.79 0.00 1.77 1.70 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.34 7.81 51 V 8.44 4.48 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 0.87 0.00 0.00 0.96 0.00 0.00 52 V 8.71 4.14 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 0.78 0.00 0.00 0.96 0.00 0.00 53 K 7.79 4.70 0.00 1.86 1.55 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.47 7.81 54 V 8.34 4.70 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 0.94 0.00 0.00 0.94 0.00 0.00 55 N 8.99 5.07 0.00 2.67 2.65 0.00 0.00 5.95 6.46 0.00 0.00 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 T 8.07 5.04 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 1.22 0.00 0.00 57 L 7.82 4.49 0.00 1.67 1.70 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.90 4.86 0.00 3.05 3.36 0.00 5.73 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 59 V 8.35 4.29 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 1.05 0.00 0.00 1.11 0.00 0.00 60 R 8.18 4.77 0.00 1.90 1.89 0.00 3.14 0.00 0.00 3.90 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 61 G 9.03 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 0.00 0.00 0.00 0.00 62 K 8.90 4.18 0.00 1.72 1.78 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.48 7.81 63 K 8.62 4.65 0.00 1.95 1.82 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.47 7.81 64 K 8.64 4.76 0.00 1.63 1.69 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.35 7.81 65 R 8.39 4.66 0.00 1.76 1.82 0.00 3.40 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 66 L 8.72 4.22 0.00 1.73 1.56 0.93 1.26 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 67 G 8.48 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 0.00 0.00 0.00 68 R 8.63 4.10 0.00 1.65 1.87 0.00 2.21 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.13 0.00 69 Y 7.99 4.55 0.00 3.27 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 70 L 8.56 4.98 0.00 1.59 1.55 0.92 1.03 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 71 G 8.54 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.23 4.74 0.00 1.60 1.66 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.48 7.81 73 R 8.86 4.44 0.00 1.86 1.79 0.00 3.12 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 74 P 0.00 4.60 0.00 2.03 2.04 0.00 3.70 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 1.90 1.95 0.00 75 D 8.65 4.79 0.00 2.72 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 76 R 8.44 5.07 0.00 1.91 1.97 0.00 2.98 0.00 0.00 2.97 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.44 0.00 77 K 8.80 5.25 0.00 1.73 1.67 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.41 7.81 78 K 8.13 3.99 0.00 1.03 0.74 0.00 1.02 0.00 0.00 1.52 0.00 0.00 2.43 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.16 1.14 7.81 79 A 8.20 4.66 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 80 I 8.52 4.35 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.78 0.76 0.00 0.00 81 V 8.91 4.90 2.10 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 0.76 0.00 0.00 1.00 0.00 0.00 82 Q 9.46 5.57 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 83 V 8.22 4.82 2.13 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 0.82 0.00 0.00 0.91 0.00 0.00 84 A 8.70 4.07 1.27 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 0.00 0.00 85 P 0.00 4.11 0.00 2.19 2.14 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 86 G 8.96 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 87 Q 7.08 4.01 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.61 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 88 K 7.89 4.28 0.00 2.01 1.84 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.55 7.81 89 I 7.25 4.13 1.37 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.54 1.15 0.00 0.00 90 E 8.97 4.04 0.00 2.02 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 2.42 2.26 0.00 91 A 8.11 4.04 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.56 4.67 0.00 1.67 1.28 1.22 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.09 3.62 0.00 1.98 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 2.53 2.43 0.00 94 G 7.31 3.40 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 0.00 *95 L 7.60 4.12 0.00 1.42 1.50 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.