NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.4143 8.1849 120.6333 54.4225 41.8948 176.2180 4 K 4.0994 8.6717 122.8107 54.4206 32.8159 175.7000 5 N 5.0902 8.2439 117.2361 52.1132 38.9607 174.7823 6 S 4.5839 7.6511 108.4737 58.7056 65.5776 176.6549 7 I 3.9227 8.1233 127.5232 64.1993 37.9191 177.7793 8 S 4.5929 7.9269 114.2059 60.2292 62.7426 174.4704 9 D 4.5905 8.0705 118.8024 54.8941 41.2697 175.6922 10 Y 4.9503 8.0013 118.9232 56.4950 39.7081 175.7966 11 T 5.0107 8.7413 117.0305 60.4513 71.4630 175.7299 12 E 3.3085 8.6149 120.7829 59.3480 29.5302 179.5084 13 A 3.9986 7.9094 120.2659 55.3106 18.5526 179.4305 14 E 4.5805 8.4395 118.4139 58.9829 29.4588 179.3636 15 F 4.0627 8.4082 121.0522 61.0337 39.3539 177.4370 16 V 3.5728 7.8608 118.0356 65.9980 31.2191 178.0513 17 Q 3.9654 7.9615 117.6244 58.7201 28.5118 178.4559 18 L 3.8811 7.7070 121.3432 58.1762 42.0640 179.0993 19 L 3.7857 7.7245 118.9623 57.6277 41.5007 179.6454 20 K 3.9676 8.2157 118.4098 58.9212 31.9220 179.0903 21 E 3.9326 7.9799 120.1165 59.1924 29.5554 178.8534 22 I 3.6889 7.6519 119.9616 64.3698 36.8953 178.2612 23 E 3.9194 7.9607 118.6371 59.0807 29.3831 179.0607 24 K 4.0693 7.9628 119.7738 59.6322 32.3531 178.8448 25 E 4.0296 8.2618 118.5017 58.9474 29.0698 178.8675 26 N 4.3999 7.9560 116.3873 55.9076 38.6572 176.1102 27 V 4.0826 7.1594 110.3700 60.9639 31.8769 176.0493 28 A 4.2485 7.5959 123.3639 51.2282 19.0402 177.9364 29 A 4.1046 8.7105 122.8687 54.9172 18.3230 177.6528 30 T 4.7101 7.5015 102.2460 60.3243 72.1549 173.0609 31 D 4.8106 8.3220 117.7809 54.3830 40.0604 178.1763 32 D 4.3592 7.8487 120.7396 57.7408 40.9145 179.1708 33 V 3.7497 7.6651 117.7699 65.6101 31.6317 177.2071 34 L 3.9199 7.9795 119.6983 58.7653 41.8410 178.6822 35 D 4.3643 8.5808 118.6606 57.3098 40.6501 179.2181 36 V 3.8358 7.3345 117.0523 65.9225 31.4724 178.1335 37 L 4.0861 7.9013 118.5160 57.7120 41.3873 179.5278 38 L 4.0829 8.3225 119.3105 57.8081 41.5858 179.2251 39 E 4.0591 8.3794 118.6006 59.7494 29.4181 178.9996 40 H 4.2074 8.3570 118.1955 59.1145 29.9686 176.9545 41 F 4.0802 8.5041 122.7605 61.4743 39.3523 177.2868 42 V 3.4769 8.4432 118.1854 65.6820 31.0812 177.8670 43 K 3.9138 7.9490 118.6715 59.5834 32.2039 178.5994 44 I 3.9227 7.4944 112.1265 63.8751 37.6686 177.9044 45 T 3.7637 7.6777 111.7714 62.6962 68.3352 175.7282 46 E 3.8398 7.5735 117.2465 56.8834 27.8752 173.4004 47 H 3.0763 7.1153 120.1355 54.0941 30.4285 174.4605 48 P 4.1495 0.0000 0.0000 65.9510 31.2025 176.8398 49 D 4.5800 8.3277 116.5374 54.0136 42.5435 177.9856 50 G 3.8505 7.7993 110.2194 46.0632 0.0000 177.2372 51 T 4.1954 8.7939 116.9226 63.8942 68.1798 174.9983 52 D 4.6822 8.4503 122.4140 57.4718 40.5497 178.3859 53 L 4.1444 7.8794 118.9081 57.2177 41.5780 178.9945 54 I 3.7977 7.3698 118.2449 63.5916 37.8026 176.9752 55 Y 4.3028 7.7622 114.4641 58.3682 39.4994 175.5399 56 Y 4.6964 8.0977 117.1778 55.6604 38.7314 173.4920 57 P 4.4456 0.0000 0.0000 62.3076 32.8426 177.4908 58 S 4.2995 8.4954 116.9960 58.8684 63.2785 174.9739 59 D 4.6182 8.6758 123.0345 55.8678 40.6851 176.5352 60 N 4.7847 7.9978 116.2735 52.5249 37.7155 174.3083 61 R 4.6660 7.4709 114.1838 54.9094 32.7811 174.3216 62 D 4.4583 8.4684 118.3114 54.5161 41.3517 175.9862 63 D 4.8250 8.3249 124.0704 52.5273 39.9164 175.5261 64 S 4.5906 7.5506 117.8555 55.0626 67.4433 173.3017 65 P 4.2251 0.0000 0.0000 65.8610 30.9784 178.8847 66 E 4.1074 8.1810 117.1392 59.2689 29.4753 179.4363 67 G 3.8457 8.0270 107.2356 47.1801 0.0000 175.9236 68 I 3.7964 7.9817 122.2220 64.2369 37.0800 178.6713 69 V 3.6888 7.8021 118.8995 65.8621 31.3076 177.9739 70 K 3.9761 8.0897 119.4030 59.4879 32.0647 178.4063 71 E 4.0075 8.3643 119.6005 59.3346 29.5084 178.8177 72 I 3.8067 7.9522 119.8388 64.3224 37.1735 178.4239 73 K 3.9557 8.5055 119.5586 59.7254 31.9793 179.2230 74 E 4.0102 8.4489 118.7412 59.0977 29.2307 179.3450 75 W 4.0271 8.4875 128.4204 60.6189 30.8885 178.4333 76 R 3.7147 8.5328 117.9980 58.9246 29.5271 179.0064 77 A 3.8936 8.0128 120.6101 55.0228 18.2410 179.5011 78 A 4.0074 7.8458 117.5985 54.0378 18.3693 178.5015 79 N 4.5715 6.9366 113.4426 51.8474 39.1639 174.6987 80 G 3.8247 7.6632 107.4435 46.6989 0.0000 174.2040 81 K 4.5547 7.9926 118.1768 52.8940 34.4752 175.0210 82 P 4.2409 0.0000 0.0000 63.1100 31.8336 176.6962 83 G 3.8946 8.0937 109.9030 44.1281 0.0000 172.9294 84 F 4.4598 8.1530 117.4660 56.9591 39.5679 175.1441 85 K 4.0472 9.1297 125.6766 56.8560 31.5802 176.9024 86 Q 4.1517 8.1536 127.8456 57.8959 29.6116 176.2894 *87 G 3.7274 7.7526 112.7682 45.9965 0.0000 172.2153 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 L 8.18 4.41 0.00 1.62 1.50 0.88 0.52 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 4 K 8.67 4.10 0.00 1.67 1.75 0.00 1.47 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.82 0.32 7.81 5 N 8.24 5.09 0.00 2.87 2.95 0.00 0.00 5.87 7.64 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 6 S 7.65 4.58 0.00 3.85 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 7 I 8.12 3.92 1.90 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.40 0.74 0.00 0.00 8 S 7.93 4.59 0.00 3.91 3.92 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 9 D 8.07 4.59 0.00 2.62 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 10 Y 8.00 4.95 0.00 3.54 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 11 T 8.74 5.01 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 1.33 0.00 0.00 12 E 8.61 3.31 0.00 1.91 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 1.73 2.25 0.00 13 A 7.91 4.00 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 14 E 8.44 4.58 0.00 2.45 2.30 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 2.40 2.25 0.00 15 F 8.41 4.06 0.00 3.03 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 16 V 7.86 3.57 2.27 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 0.96 0.00 0.00 1.00 0.00 0.00 17 Q 7.96 3.97 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 18 L 7.71 3.88 0.00 1.64 1.43 0.89 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.72 3.79 0.00 1.76 1.54 1.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.22 3.97 0.00 1.72 1.81 0.00 1.71 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.69 1.55 7.81 21 E 7.98 3.93 0.00 2.17 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 2.29 2.37 0.00 22 I 7.65 3.69 1.84 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.68 0.74 0.00 0.00 23 E 7.96 3.92 0.00 2.04 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 2.23 2.38 0.00 24 K 7.96 4.07 0.00 1.81 1.97 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 25 E 8.26 4.03 0.00 2.03 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 2.46 2.49 0.00 26 N 7.96 4.40 0.00 2.83 2.91 0.00 0.00 6.95 7.18 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 27 V 7.16 4.08 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 0.65 0.00 0.00 0.96 0.00 0.00 28 A 7.60 4.25 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 29 A 8.71 4.10 1.29 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 0.00 0.00 0.00 30 T 7.50 4.71 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 31 D 8.32 4.81 0.00 2.70 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 32 D 7.85 4.36 0.00 2.73 2.73 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 33 V 7.67 3.75 2.27 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 1.03 0.00 0.00 0.93 0.00 0.00 34 L 7.98 3.92 0.00 1.80 1.82 0.96 1.41 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 35 D 8.58 4.36 0.00 2.76 2.73 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 36 V 7.33 3.84 2.26 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 1.06 0.00 0.00 1.02 0.00 0.00 37 L 7.90 4.09 0.00 1.91 1.71 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.32 4.08 0.00 1.89 1.82 1.08 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.38 4.06 0.00 2.25 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 0.00 2.38 2.59 0.00 40 H 8.36 4.21 0.00 3.27 3.57 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.50 4.08 0.00 3.11 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 42 V 8.44 3.48 2.27 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 0.95 0.00 0.00 1.18 0.00 0.00 43 K 7.95 3.91 0.00 1.91 1.96 0.00 1.88 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 44 I 7.49 3.92 1.91 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 1.76 0.64 0.93 0.00 0.00 45 T 7.68 3.76 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 0.45 0.00 0.00 46 E 7.57 3.84 0.00 2.33 2.21 0.00 0.00 0.00 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 2.43 0.00 47 H 7.12 3.08 0.00 2.55 2.76 0.00 5.60 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.15 0.00 2.17 2.16 0.00 2.34 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 49 D 8.33 4.58 0.00 2.68 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 50 G 7.80 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.79 4.20 4.57 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 1.38 0.00 0.00 52 D 8.45 4.68 0.00 2.92 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 53 L 7.88 4.14 0.00 1.87 1.84 0.80 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.37 3.80 1.34 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.06 -0.07 0.00 0.00 55 Y 7.76 4.30 0.00 2.99 2.67 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 0.00 0.00 0.00 0.00 56 Y 8.10 4.70 0.00 3.03 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 57 P 0.00 4.45 0.00 2.17 2.02 0.00 3.70 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 1.97 2.10 0.00 58 S 8.50 4.30 0.00 4.08 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 59 D 8.68 4.62 0.00 2.69 2.73 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 60 N 8.00 4.78 0.00 2.84 2.93 0.00 0.00 5.88 7.66 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 61 R 7.47 4.67 0.00 1.85 1.93 0.00 3.13 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.84 0.00 62 D 8.47 4.46 0.00 2.73 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 63 D 8.32 4.83 0.00 2.58 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.55 4.59 0.00 4.11 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 65 P 0.00 4.23 0.00 2.15 2.11 0.00 3.57 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.26 0.00 66 E 8.18 4.11 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 67 G 8.03 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.98 3.80 2.11 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.97 1.16 0.00 0.00 69 V 7.80 3.69 2.19 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 0.85 0.00 0.00 0.98 0.00 0.00 70 K 8.09 3.98 0.00 1.92 1.97 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.49 7.81 71 E 8.36 4.01 0.00 2.14 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 0.00 2.34 2.44 0.00 72 I 7.95 3.81 2.10 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.68 0.71 0.00 0.00 73 K 8.51 3.96 0.00 2.08 1.96 0.00 1.96 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.84 2.09 7.81 74 E 8.45 4.01 0.00 2.25 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 0.00 2.37 2.51 0.00 75 W 8.49 4.03 0.00 3.55 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 76 R 8.53 3.71 0.00 1.91 1.88 0.00 3.04 0.00 0.00 2.88 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.02 0.00 77 A 8.01 3.89 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 78 A 7.85 4.01 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 6.94 4.57 0.00 1.78 2.26 0.00 0.00 6.94 7.84 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 80 G 7.66 3.82 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 0.00 0.00 0.00 81 K 7.99 4.55 0.00 1.67 1.65 0.00 1.74 0.00 0.00 1.98 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.27 7.81 82 P 0.00 4.24 0.00 2.13 2.02 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 83 G 8.09 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 84 F 8.15 4.46 0.00 3.09 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 85 K 9.13 4.05 0.00 2.15 1.83 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.45 7.81 86 Q 8.15 4.15 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.42 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 *87 G 7.75 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.