NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6883 8.1633 120.5605 55.6897 33.5158 174.0518 2 Y 4.9706 9.3098 123.1044 55.2433 42.9332 172.7492 3 K 4.8948 9.7778 125.9666 54.9054 34.8627 174.2264 4 A 5.0358 9.3226 130.6022 50.8669 21.2539 175.5013 5 T 4.8159 9.5909 120.2845 61.8011 71.1672 173.5690 6 V 4.7114 9.0825 127.4856 61.2546 33.8781 174.1701 7 I 4.9154 8.6512 129.2942 59.7701 39.4742 174.7346 8 I 5.2094 8.7276 127.6708 59.4165 40.4073 174.8757 9 K 5.0074 9.1263 125.0200 54.9331 36.7245 175.3627 10 L 4.7948 8.4621 119.5704 54.0555 42.7069 177.4735 11 K 4.1487 8.4740 120.5477 56.6538 33.4957 176.4643 12 K 4.1767 8.4231 124.4403 57.7649 32.3810 177.2286 13 G 4.0212 9.0664 114.1571 45.1569 0.0000 173.1631 14 V 4.1252 7.2650 119.8736 61.0498 32.4640 175.6302 15 L 4.0315 8.4123 127.3841 54.6750 42.3457 176.6437 16 N 4.7757 8.4216 120.4614 51.2610 40.5024 173.1902 17 P 4.2393 0.0000 0.0000 65.6970 31.3738 178.2314 18 E 3.9672 8.3152 117.6191 59.1117 29.6618 178.8733 19 G 3.5420 7.9338 105.1962 47.9926 0.0000 175.5551 20 R 3.9382 7.9646 121.0258 59.1753 29.9719 179.3949 21 T 3.8679 8.0964 115.4949 66.6704 68.4113 176.8272 22 I 3.6605 7.8933 121.8247 64.3427 37.0416 177.9986 23 Q 3.9491 8.2053 120.3351 59.4686 28.9165 178.6337 24 R 3.9664 8.1278 118.5147 59.4151 30.0601 179.0641 25 A 4.2369 8.3350 120.5680 54.9961 17.8995 179.7934 26 L 4.0988 8.1605 117.8844 58.1167 41.6642 179.3902 27 N 4.6304 8.7188 116.9511 56.3269 38.2584 177.1096 28 F 4.0275 8.7487 121.4960 61.1472 39.5246 176.3484 29 L 4.3379 7.6804 115.7266 54.5812 41.7896 176.6242 30 G 3.8435 7.9714 109.5956 46.2721 0.0000 175.7474 31 F 4.5565 7.7981 119.6162 58.0181 36.0078 175.5040 32 N 4.8163 7.9790 117.8279 54.5069 39.3422 176.5313 33 N 4.4277 8.1832 115.8917 55.8938 38.8890 175.7043 34 V 3.6779 7.5054 118.2384 63.2106 31.5851 175.4363 35 K 4.4165 8.4176 126.3828 57.2801 33.5355 176.2944 36 E 4.7035 7.5221 115.6718 55.1697 32.2349 174.3082 37 V 4.5086 8.2050 123.9039 61.0878 34.7277 174.3428 38 Q 4.4711 8.3484 125.1948 54.4133 32.2005 173.9938 39 T 4.5307 7.6926 111.9426 60.0795 71.8041 172.3823 40 Y 4.9953 8.0255 118.6336 56.6471 42.7705 173.9063 41 K 4.5846 8.9411 122.5867 55.0746 34.4299 174.4347 42 M 5.0901 8.6954 126.9638 53.8914 34.3901 174.7392 43 I 4.4537 8.9207 126.8646 59.6970 40.4161 174.3768 44 D 5.1458 8.7834 128.0892 53.2875 41.8585 176.2473 45 I 4.3624 9.0532 126.1165 59.6448 39.2910 175.0276 46 I 4.8622 8.3791 129.0195 60.2847 38.0848 175.0571 47 M 4.9459 9.2816 124.1494 54.0564 35.2558 173.4929 48 E 4.6846 8.6363 118.3009 55.3088 31.1837 175.8908 *50 E 4.3521 8.8902 122.0596 54.6065 32.0035 176.1336 51 N 4.7793 7.3021 114.5221 51.6721 40.9823 174.9393 52 E 3.7667 8.6160 119.8765 59.8028 29.5144 178.9570 53 E 3.8930 8.0624 119.5456 58.9259 29.9258 178.7442 54 K 4.3083 7.7985 119.3780 58.3161 32.0635 179.5244 55 V 3.3853 7.3659 118.8696 65.8229 31.5092 177.7611 56 K 3.7979 8.0515 119.4572 59.7682 31.3669 178.4619 57 E 4.2430 7.9125 119.6121 58.7530 29.3978 178.9457 58 E 3.9093 7.9096 118.9352 59.5094 29.7239 179.3963 59 V 3.6441 8.0664 112.6041 63.9690 31.1068 178.1026 60 E 3.9539 8.1341 119.4420 59.4418 29.3721 178.8176 61 E 4.0227 8.0245 118.3629 59.5979 29.5069 179.0669 62 M 3.9801 7.9578 118.7052 58.6195 32.0127 178.6267 63 C 3.7989 8.1956 116.9236 62.6857 28.0347 175.9102 64 K 3.9370 7.8783 120.0514 58.5515 31.7729 177.2500 65 K 4.4920 7.9165 114.9344 56.4081 32.6996 175.5389 66 L 4.6499 7.3317 120.0573 56.4851 49.2303 176.0328 67 L 4.0248 8.1163 119.1284 57.2148 41.9153 177.8551 68 A 4.6361 7.6866 118.2380 50.2004 22.2619 174.9036 69 N 4.8383 8.9080 119.1605 50.9704 39.4199 173.5076 70 P 4.6050 0.0000 0.0000 65.1217 31.3652 177.9016 71 V 3.7207 8.0989 118.2186 65.1490 31.6878 176.3114 72 I 4.4732 7.6759 110.1177 60.7714 39.4941 174.7510 73 H 5.6450 8.8555 120.7627 54.3048 32.5591 172.3206 74 D 5.3737 9.1603 120.9620 53.0213 44.4860 174.5169 75 Y 5.5005 7.7541 117.7310 56.1578 41.1248 173.5151 76 E 4.8577 9.4104 117.5638 54.8808 33.6220 174.0449 77 I 5.0728 8.4709 121.6473 59.5860 40.0624 174.8093 78 K 4.6549 9.0692 126.4463 54.4467 35.0410 175.2429 79 V 5.1058 8.4745 124.0347 61.1307 34.0057 174.2503 80 E 4.8389 9.1266 127.2217 54.2544 32.8443 175.1647 81 K 4.4148 8.7239 125.5054 56.1250 33.2424 176.1195 82 I 4.0293 8.5191 129.2767 60.8792 37.8103 176.0749 83 E 4.1904 8.6305 125.6026 56.4499 29.8674 175.8143 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 8.16 4.69 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 2 Y 9.31 4.97 0.00 2.81 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 3 K 9.78 4.89 0.00 1.78 1.70 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.37 7.81 4 A 9.32 5.04 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 5 T 9.59 4.82 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 1.24 0.00 0.00 6 V 9.08 4.71 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 0.90 0.00 0.00 7 I 8.65 4.92 1.83 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 1.08 0.33 0.77 0.00 0.00 8 I 8.73 5.21 1.89 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 1.34 1.08 0.84 0.00 0.00 9 K 9.13 5.01 0.00 1.93 2.42 0.00 1.49 0.00 0.00 1.89 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.51 7.81 10 L 8.46 4.79 0.00 1.57 1.66 0.96 0.96 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 11 K 8.47 4.15 0.00 1.73 1.77 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.75 7.81 12 K 8.42 4.18 0.00 1.75 1.73 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.40 7.81 13 G 9.07 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.26 4.13 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 0.81 0.00 0.00 0.93 0.00 0.00 15 L 8.41 4.03 0.00 1.67 1.57 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.42 4.78 0.00 2.74 2.62 0.00 0.00 7.15 7.71 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 17 P 0.00 4.24 0.00 2.17 2.09 0.00 3.63 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 2.10 2.14 0.00 18 E 8.32 3.97 0.00 1.99 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 0.00 2.34 2.34 0.00 19 G 7.93 3.54 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 0.00 0.00 0.00 20 R 7.96 3.94 0.00 1.87 1.99 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 21 T 8.10 3.87 4.37 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 1.18 0.00 0.00 22 I 7.89 3.66 1.98 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 1.38 0.70 0.87 0.00 0.00 23 Q 8.21 3.95 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 24 R 8.13 3.97 0.00 1.92 2.01 0.00 3.19 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 25 A 8.33 4.24 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 26 L 8.16 4.10 0.00 1.98 1.76 0.81 0.31 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 27 N 8.72 4.63 0.00 2.92 2.93 0.00 0.00 6.67 7.67 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 F 8.75 4.03 0.00 3.09 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.68 4.34 0.00 1.97 1.87 1.12 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.97 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.80 4.56 0.00 3.24 3.04 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 32 N 7.98 4.82 0.00 2.72 2.88 0.00 0.00 7.27 8.00 0.00 0.00 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 N 8.18 4.43 0.00 2.81 2.94 0.00 0.00 6.91 7.68 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 34 V 7.51 3.68 2.24 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 0.76 0.00 0.00 0.95 0.00 0.00 35 K 8.42 4.42 0.00 1.79 1.84 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.62 1.36 7.81 36 E 7.52 4.70 0.00 1.88 1.76 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 2.16 2.25 0.00 37 V 8.20 4.51 2.24 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 0.82 0.00 0.00 0.91 0.00 0.00 38 Q 8.35 4.47 0.00 1.95 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.55 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 39 T 7.69 4.53 4.14 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 0.00 0.00 1.13 0.00 0.00 40 Y 8.03 5.00 0.00 2.86 2.85 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 41 K 8.94 4.58 0.00 1.91 1.67 0.00 1.50 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.41 7.81 42 M 8.70 5.09 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 43 I 8.92 4.45 1.86 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 1.22 0.62 0.89 0.00 0.00 44 D 8.78 5.15 0.00 2.54 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.05 4.36 1.87 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 1.22 0.82 0.91 0.00 0.00 46 I 8.38 4.86 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.53 0.93 0.00 0.00 47 M 9.28 4.95 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.71 0.00 48 E 8.64 4.68 0.00 1.91 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 2.28 2.36 0.00 *50 E 8.89 4.35 0.00 1.93 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 2.22 2.31 0.00 51 N 7.30 4.78 0.00 2.88 2.90 0.00 0.00 6.47 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 52 E 8.62 3.77 0.00 2.18 2.33 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 2.41 2.36 0.00 53 E 8.06 3.89 0.00 2.08 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 2.36 2.44 0.00 54 K 7.80 4.31 0.00 2.00 1.75 0.00 2.35 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.68 1.44 7.81 55 V 7.37 3.39 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 0.94 0.00 0.00 0.16 0.00 0.00 56 K 8.05 3.80 0.00 1.92 1.97 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.62 1.51 7.81 57 E 7.91 4.24 0.00 2.27 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 2.32 2.38 0.00 58 E 7.91 3.91 0.00 2.17 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 2.28 2.32 0.00 59 V 8.07 3.64 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 0.69 0.00 0.00 0.99 0.00 0.00 60 E 8.13 3.95 0.00 2.32 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 2.41 2.49 0.00 61 E 8.02 4.02 0.00 2.25 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 2.32 2.48 0.00 62 M 7.96 3.98 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.56 0.00 63 C 8.20 3.80 0.00 2.71 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.88 3.94 0.00 1.86 2.01 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.50 7.81 65 K 7.92 4.49 0.00 1.85 1.85 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.31 7.81 66 L 7.33 4.65 0.00 1.53 1.68 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.12 4.02 0.00 1.51 1.62 0.83 0.76 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 68 A 7.69 4.64 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 69 N 8.91 4.84 0.00 2.74 2.66 0.00 0.00 6.74 7.71 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 70 P 0.00 4.61 0.00 2.26 2.29 0.00 3.48 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 71 V 8.10 3.72 2.17 0.00 0.00 0.00 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 0.98 0.00 0.00 72 I 7.68 4.47 1.78 0.00 0.00 0.70 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 -0.01 0.87 0.00 0.00 73 H 8.86 5.65 0.00 3.21 3.27 0.00 5.57 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 9.16 5.37 0.00 2.59 2.51 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 75 Y 7.75 5.50 0.00 3.00 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 76 E 9.41 4.86 0.00 1.99 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 2.16 2.26 0.00 77 I 8.47 5.07 1.93 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 1.40 0.88 0.93 0.00 0.00 78 K 9.07 4.65 0.00 1.67 1.68 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.34 7.81 79 V 8.47 5.11 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 0.82 0.00 0.00 0.94 0.00 0.00 80 E 9.13 4.84 0.00 1.95 1.81 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 2.23 2.23 0.00 81 K 8.72 4.41 0.00 1.98 1.70 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.24 1.09 7.81 82 I 8.52 4.03 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.62 0.87 0.00 0.00 83 E 8.63 4.19 0.00 1.88 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 0.00 2.37 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.