NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4498 8.3349 115.2913 57.7257 64.8991 173.4119 0 H 5.0104 7.9399 117.7835 53.2200 30.5993 173.1984 2 S 4.7654 8.0961 110.4069 58.4710 64.0778 173.2370 3 T 4.0853 8.1707 118.5552 64.5863 69.5712 176.5533 4 G 3.7551 7.9634 110.0074 44.9180 0.0000 172.8783 5 D 4.8172 8.3158 118.5527 52.7997 41.8155 176.6840 6 F 4.1104 9.3052 127.4664 60.3454 38.9413 177.2028 7 L 4.0860 8.1711 119.9926 58.6569 41.9115 179.3334 8 T 3.8990 8.0696 109.1115 64.2985 68.8272 176.2327 9 K 3.6963 8.1077 122.7544 59.1736 32.0889 178.7969 10 G 3.7841 8.2891 106.2552 48.0314 0.0000 175.5080 11 I 3.6556 7.9313 122.6884 63.9018 37.2689 177.8184 12 E 3.8237 8.2443 120.2852 59.6343 29.3568 179.1185 13 L 3.9107 7.8029 118.6492 57.6042 41.5458 179.6833 14 V 3.2925 7.8687 118.4124 65.8954 31.3799 178.0197 15 Q 3.8486 8.3253 118.2574 58.7039 28.4836 178.8397 16 K 3.7407 7.7843 119.8581 59.4346 32.2704 178.4991 17 A 3.5650 7.6534 120.9435 55.1539 17.9499 179.7091 18 I 3.6177 7.6257 118.2707 64.5153 37.2683 178.2177 19 D 4.3320 7.8960 119.6984 57.5295 40.6115 179.0945 20 L 3.8993 7.9059 119.2493 57.6182 41.6056 178.9307 21 D 4.4506 8.5828 118.2668 57.9324 40.9999 178.3949 22 T 3.9236 7.9972 114.7093 66.6291 68.5655 175.6533 23 A 4.1644 7.5966 119.0939 52.0018 18.3642 177.5866 24 T 2.4800 7.2527 106.3017 62.6016 68.4179 174.2069 25 Q 4.1730 7.5234 123.2521 55.6514 25.4440 175.8942 26 Y 4.4063 7.3946 121.1953 60.7737 38.4332 177.3380 27 E 4.1345 8.3757 119.2297 59.7528 29.5997 179.1152 28 E 3.9596 8.2147 117.5165 59.3243 29.5895 179.0234 29 A 3.8236 8.3100 121.0741 55.3389 18.4714 178.9509 30 Y 4.4138 8.5292 118.1657 61.3728 38.8547 178.5202 31 T 2.4800 7.6077 116.2895 66.0550 68.4443 176.3540 32 A 3.7358 7.8628 122.7221 55.2771 18.2714 179.1165 33 Y 4.1049 8.0310 115.7357 61.5627 38.1444 178.7628 34 Y 4.1931 7.8597 118.4532 60.0168 37.5026 177.8299 35 N 4.4352 7.9734 118.6033 56.1766 38.6422 177.4528 36 G 3.7535 8.2632 107.0111 48.0026 0.0000 175.7101 37 L 4.1407 8.1648 120.7203 57.5103 41.6220 179.0786 38 D 4.6234 7.9998 117.9916 57.6364 40.9673 178.1210 39 Y 4.5271 7.7993 116.4772 60.8606 37.9134 179.4375 40 L 4.6119 8.4328 120.0088 54.8755 41.8872 179.2958 *42 L 4.3777 8.0131 120.4639 54.9352 43.8649 179.1490 43 A 4.0743 8.6512 120.8103 55.3458 18.6408 178.3813 44 L 4.0771 8.5969 117.9999 58.1673 42.2403 179.1355 45 K 3.6768 8.0668 117.6100 59.0239 32.0351 176.5567 46 Y 4.4676 7.5741 113.2270 57.4791 38.5012 175.2321 47 E 4.2026 7.8020 122.5796 55.8891 30.1400 176.3737 48 K 4.3009 8.5480 124.3012 56.8173 33.6746 176.3493 49 N 4.6401 8.3498 119.0278 51.9266 39.6311 173.6337 50 P 4.2830 0.0000 0.0000 65.9095 31.4211 178.6962 51 K 3.9728 8.2267 117.9532 59.2961 31.8935 179.4036 52 S 4.1558 8.2076 114.9095 61.6109 62.7789 176.6530 53 K 3.9252 8.3876 121.4138 59.6280 31.8110 178.9685 54 D 4.3584 8.3821 119.3072 57.3433 40.7936 178.7677 55 L 3.9628 8.0196 120.5942 58.2109 42.1522 178.8903 56 I 3.8086 8.0740 120.0668 64.5460 37.0837 178.5137 57 R 3.9296 8.4361 118.9124 59.2597 29.9621 178.8862 58 A 4.0100 8.0211 120.3797 55.1993 18.3909 179.9394 59 K 3.6498 8.2013 116.8881 59.3088 32.1682 179.0714 60 F 4.0645 8.7227 121.4428 61.9348 39.1767 177.2388 61 T 3.9380 8.1608 114.9223 66.6694 68.3965 176.0920 62 E 3.7502 7.7361 120.4465 59.6371 29.5693 178.5928 63 Y 4.2578 7.4310 116.6030 60.6127 37.8630 177.9788 64 L 3.7686 8.1568 121.9161 58.0820 42.1759 178.5151 65 N 4.2260 8.3458 116.8809 56.5499 38.4992 177.3784 66 R 3.7556 7.7289 119.1245 59.2122 30.1097 178.2988 67 A 3.9609 7.9128 120.9553 55.2231 18.4187 179.4106 68 E 3.9337 8.3404 117.1007 59.6277 29.5392 179.6208 69 Q 3.9493 7.8726 117.6453 58.8984 28.6940 178.8990 70 L 3.8591 7.8433 119.9587 57.5285 41.6593 179.3323 71 K 3.4210 8.1352 119.6193 59.4492 32.0909 178.8373 72 K 3.8992 7.8601 118.4444 59.6901 31.9401 178.7473 73 H 4.0744 8.0749 118.3062 59.2777 29.7098 177.3898 74 L 3.9017 8.0533 120.9192 57.7285 41.4511 179.1693 75 E 3.8808 8.4437 119.0147 59.4133 29.1460 179.4028 76 S 4.0404 7.8726 111.9928 61.5476 62.6713 175.7944 77 E 4.0515 8.1232 121.2310 59.2828 28.9074 179.0416 78 E 3.9009 8.1615 118.5261 59.2207 29.8523 178.5151 79 A 4.1769 7.9828 119.1942 53.9412 18.5064 177.0480 80 N 4.5379 7.6220 119.4381 53.4845 39.4680 174.1633 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 S 8.33 4.45 0.00 3.85 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 0 H 7.94 5.01 0.00 3.21 3.17 0.00 5.93 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.10 4.77 0.00 3.95 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 3 T 8.17 4.09 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 1.23 0.00 0.00 4 G 7.96 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 0.00 0.00 0.00 5 D 8.32 4.82 0.00 2.76 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.31 4.11 0.00 3.15 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 4.09 0.00 1.85 1.96 1.03 1.22 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 8 T 8.07 3.90 4.22 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 1.29 0.00 0.00 9 K 8.11 3.70 0.00 1.57 1.45 0.00 1.14 0.00 0.00 1.27 0.00 0.00 2.62 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.30 0.21 7.81 10 G 8.29 3.78 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 0.00 0.00 0.00 11 I 7.93 3.66 2.00 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 1.48 0.75 0.91 0.00 0.00 12 E 8.24 3.82 0.00 2.00 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 0.00 2.21 2.29 0.00 13 L 7.80 3.91 0.00 1.71 1.63 0.91 0.77 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 14 V 7.87 3.29 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 0.03 0.00 0.00 0.79 0.00 0.00 15 Q 8.33 3.85 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 16 K 7.78 3.74 0.00 1.79 1.84 0.00 1.43 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.36 7.81 17 A 7.65 3.56 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.63 3.62 1.93 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 1.65 0.73 0.94 0.00 0.00 19 D 7.90 4.33 0.00 2.79 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 20 L 7.91 3.90 0.00 1.71 1.79 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.58 4.45 0.00 2.98 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 22 T 8.00 3.92 4.39 0.00 0.00 0.00 0.00 0.00 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 23 A 7.60 4.16 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 24 T 7.25 2.48 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 1.14 0.00 0.00 25 Q 7.52 4.17 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.07 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 26 Y 7.39 4.41 0.00 3.10 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 27 E 8.38 4.13 0.00 2.12 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 0.00 2.47 2.57 0.00 28 E 8.21 3.96 0.00 2.14 1.95 0.00 0.00 0.00 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 2.44 0.00 29 A 8.31 3.82 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.53 4.41 0.00 3.17 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 31 T 7.61 2.48 4.20 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 0.81 0.00 0.00 32 A 7.86 3.74 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 33 Y 8.03 4.10 0.00 3.21 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.86 4.19 0.00 3.07 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 35 N 7.97 4.44 0.00 2.80 2.94 0.00 0.00 6.85 7.46 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 36 G 8.26 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 37 L 8.16 4.14 0.00 1.81 1.71 0.83 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.00 4.62 0.00 2.83 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 39 Y 7.80 4.53 0.00 3.24 3.22 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 40 L 8.43 4.61 0.00 2.16 2.09 1.19 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 *42 L 8.01 4.38 0.00 2.31 1.93 1.20 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.65 4.07 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.60 4.08 0.00 1.77 1.57 0.88 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.07 3.68 0.00 1.55 1.74 0.00 1.59 0.00 0.00 1.38 0.00 0.00 2.38 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.33 1.06 7.81 46 Y 7.57 4.47 0.00 3.02 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 47 E 7.80 4.20 0.00 2.07 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 2.40 2.43 0.00 48 K 8.55 4.30 0.00 1.78 1.84 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.59 7.81 49 N 8.35 4.64 0.00 2.78 2.88 0.00 0.00 6.77 7.87 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 50 P 0.00 4.28 0.00 2.30 2.29 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 51 K 8.23 3.97 0.00 1.96 1.91 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.48 7.81 52 S 8.21 4.16 0.00 4.15 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 K 8.39 3.93 0.00 1.94 1.85 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.65 7.81 54 D 8.38 4.36 0.00 2.86 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 55 L 8.02 3.96 0.00 1.79 1.82 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.07 3.81 1.92 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 1.62 0.54 1.02 0.00 0.00 57 R 8.44 3.93 0.00 2.08 1.99 0.00 3.12 0.00 0.00 3.15 7.55 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 A 8.02 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.20 3.65 0.00 1.92 1.96 0.00 1.64 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.73 1.69 7.81 60 F 8.72 4.06 0.00 3.30 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 61 T 8.16 3.94 4.40 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 1.22 0.00 0.00 62 E 7.74 3.75 0.00 1.79 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 1.94 2.18 0.00 63 Y 7.43 4.26 0.00 3.00 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 64 L 8.16 3.77 0.00 1.35 1.76 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.35 4.23 0.00 2.85 2.81 0.00 0.00 6.71 7.20 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 66 R 7.73 3.76 0.00 1.83 1.63 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.35 0.00 67 A 7.91 3.96 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 68 E 8.34 3.93 0.00 2.23 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 2.35 2.49 0.00 69 Q 7.87 3.95 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 70 L 7.84 3.86 0.00 2.02 1.82 0.84 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.14 3.42 0.00 1.85 1.74 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.22 0.99 7.81 72 K 7.86 3.90 0.00 1.98 1.81 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.41 7.81 73 H 8.07 4.07 0.00 3.08 3.37 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.05 3.90 0.00 1.64 1.60 0.76 1.19 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 75 E 8.44 3.88 0.00 2.05 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 2.27 2.48 0.00 76 S 7.87 4.04 0.00 3.90 3.99 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 0.00 0.00 0.00 77 E 8.12 4.05 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 78 E 8.16 3.90 0.00 1.98 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 0.00 2.31 2.32 0.00 79 A 7.98 4.18 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 80 N 7.62 4.54 0.00 2.69 2.66 0.00 0.00 6.82 7.47 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 * Residues marked with a * may have inaccurate shift predictions.