NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.0774 8.2649 123.5817 50.0182 20.6677 172.9490 3 K 3.4968 7.4302 121.9809 56.1475 29.8589 172.2032 4 E 3.7594 8.0774 125.1652 54.9905 28.2093 175.5878 5 P 4.4416 0.0000 0.0000 64.4303 32.0969 177.1925 6 C 4.6287 7.5840 113.3908 56.9647 31.4676 174.5484 7 V 3.6364 7.6238 119.3595 62.7322 29.4199 174.7283 *9 S 4.5452 8.3422 121.4330 57.8098 65.0602 176.4497 10 L 4.1041 7.6493 119.9135 56.6848 41.4428 179.1681 11 V 3.4658 7.6610 118.5746 65.7065 31.3899 177.9977 12 S 4.3553 8.0371 113.7282 61.7312 62.9778 176.3972 13 Q 4.0917 7.7632 121.5141 58.3855 28.2415 177.9660 14 Y 3.9640 7.8099 121.0342 60.7264 38.7521 178.0278 15 F 4.5521 7.9197 118.3397 60.4542 38.9137 177.8101 16 Q 4.1321 7.9913 117.9291 59.0802 28.3913 178.6709 17 T 3.8522 7.8097 117.0545 66.4070 68.3694 176.9342 18 V 3.6093 7.2916 119.0008 66.1631 31.4540 178.3221 19 T 3.8996 7.7219 115.2038 66.8444 68.2061 176.5483 20 D 4.3999 8.4348 121.0997 57.4556 40.6833 178.2211 21 Y 4.2873 8.4801 120.5551 60.6015 38.7547 178.2732 22 G 3.4940 8.1621 106.8106 47.4252 0.0000 175.9288 23 K 3.9684 7.7406 120.5781 59.5351 31.8444 179.1703 24 D 4.8604 7.4807 119.5290 56.7705 40.7492 178.5258 25 L 4.0114 7.3560 119.8108 57.8249 41.5992 179.3299 26 M 4.0393 8.0645 118.7152 58.1875 31.2903 178.6212 27 E 3.9718 7.9927 118.5663 59.1063 29.4431 178.7003 28 K 4.2450 7.5522 115.5718 57.4224 32.5280 178.2538 29 V 4.0209 7.5297 118.9588 64.2430 32.0204 177.7621 30 K 3.9714 7.8442 118.3258 58.9523 31.6891 179.2053 31 S 4.0586 7.6960 113.8905 60.9411 62.7218 174.9139 32 P 4.4180 0.0000 0.0000 65.2851 31.1159 177.9151 33 E 4.1064 7.4509 115.5838 57.9635 30.1004 177.7561 34 L 4.6836 7.0105 116.9177 53.9203 40.5671 176.8770 35 Q 3.9281 8.1550 117.5998 57.2644 29.7131 174.3492 36 A 4.9329 8.1635 125.9098 53.3623 26.3000 175.0585 37 E 4.7225 8.0959 119.8345 55.9776 33.9001 174.9196 38 A 4.4602 7.4150 124.2715 52.0875 26.3000 176.4967 39 K 4.7717 7.5303 110.0464 56.0078 38.7808 179.1793 40 S 4.2109 8.4026 114.1067 61.8740 62.9909 175.8678 41 Y 4.4852 8.0965 122.9711 59.2729 38.3607 177.1447 42 F 4.1654 8.2686 121.6449 61.3821 39.6003 176.7458 43 E 3.7561 8.0761 118.5068 59.1645 29.0577 179.4218 44 K 4.1576 7.6591 117.5567 59.2857 32.2496 179.2833 45 S 3.9648 7.9012 114.9203 61.0220 63.0005 176.4618 46 K 3.8275 7.3347 123.0237 58.7757 31.6332 177.7775 47 E 4.2518 7.7037 116.2141 56.7896 29.1284 177.3210 48 Q 4.4501 7.4790 119.9076 57.3772 30.0087 177.9502 49 L 4.0136 7.5834 119.3115 57.9807 41.8089 179.4942 50 T 3.7134 7.6943 115.2868 66.3465 68.4766 175.0905 51 P 4.2710 0.0000 0.0000 65.4398 31.1159 178.6386 52 L 4.0537 7.4116 116.6645 58.5999 40.4395 179.1756 53 I 3.9694 7.2951 120.4637 63.9220 37.4512 177.8165 54 K 4.2542 8.1512 117.5282 57.5225 32.0220 178.7251 55 K 4.1044 8.0296 120.5204 58.5025 32.1310 178.1157 56 A 4.2415 7.9012 121.1965 54.7067 17.9936 179.4976 57 G 3.7204 7.9137 103.3784 46.9441 0.0000 174.1954 58 T 4.8382 7.5607 112.2351 60.6510 67.7596 173.6469 59 E 4.5692 7.3957 116.9516 58.0635 31.8958 178.0278 60 L 4.1283 7.6303 117.9041 58.1296 42.2447 179.8141 61 V 3.6640 7.8074 117.7007 66.1241 31.3777 177.6823 62 N 4.4379 8.1815 115.8498 56.2194 38.2216 177.0521 63 F 4.4578 8.2741 121.8237 61.2876 39.2684 177.1953 64 L 4.1910 7.9857 117.4984 57.1510 41.1842 179.0691 65 S 4.1928 8.0129 113.7554 61.5472 62.3753 175.5692 66 Y 4.4490 7.7920 119.5330 59.7392 37.7051 178.0325 67 F 4.5680 7.7221 119.3339 60.4591 38.9546 177.6878 68 V 3.7551 7.6547 117.3405 65.9564 30.7645 177.9716 69 E 4.1115 8.1623 117.9865 58.0004 29.6683 177.5237 70 L 4.7362 7.8185 118.9720 53.4298 42.5451 176.4470 71 G 4.3465 7.4785 109.1974 47.9953 0.0000 175.5731 72 T 4.0797 7.9319 116.7480 66.1123 68.8502 176.5693 73 Q 4.1146 8.1692 118.9290 58.3900 28.9515 175.3375 74 P 4.3110 0.0000 0.0000 63.2063 31.9730 174.3351 75 A 4.6904 8.3642 126.2786 53.6194 26.3000 176.3873 76 T 4.4710 7.5642 115.6674 63.4726 69.5484 175.1028 77 Q 4.1672 8.6195 123.6680 57.3362 28.8132 175.7632 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 2 A 8.26 4.08 1.31 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 0.00 0.00 3 K 7.43 3.50 0.00 1.99 1.91 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.58 7.81 4 E 8.08 3.76 0.00 1.97 1.90 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 2.31 2.36 0.00 5 P 0.00 4.44 0.00 2.17 2.10 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 6 C 7.58 4.63 0.00 3.03 3.01 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 7 V 7.62 3.64 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 0.79 0.00 0.00 0.90 0.00 0.00 *9 S 8.34 4.55 0.00 4.07 4.15 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 10 L 7.65 4.10 0.00 1.67 1.72 0.89 0.86 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 11 V 7.66 3.47 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 0.99 0.00 0.00 0.84 0.00 0.00 12 S 8.04 4.36 0.00 4.18 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 0.00 13 Q 7.76 4.09 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 14 Y 7.81 3.96 0.00 3.03 2.76 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 15 F 7.92 4.55 0.00 3.33 3.01 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 16 Q 7.99 4.13 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.73 0.00 17 T 7.81 3.85 4.16 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 1.11 0.00 0.00 18 V 7.29 3.61 2.32 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 1.09 0.00 0.00 0.81 0.00 0.00 19 T 7.72 3.90 4.41 0.00 0.00 0.00 0.00 0.00 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 20 D 8.43 4.40 0.00 2.71 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 21 Y 8.48 4.29 0.00 3.07 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 22 G 8.16 3.49 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 0.00 23 K 7.74 3.97 0.00 1.96 1.85 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.74 7.81 24 D 7.48 4.86 0.00 2.62 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 25 L 7.36 4.01 0.00 1.60 1.54 0.54 0.49 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 26 M 8.06 4.04 0.00 1.99 2.20 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 2.58 2.95 0.00 27 E 7.99 3.97 0.00 2.15 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 2.30 2.59 0.00 28 K 7.55 4.24 0.00 1.79 1.81 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.56 7.81 29 V 7.53 4.02 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 1.06 0.00 0.00 0.94 0.00 0.00 30 K 7.84 3.97 0.00 1.77 1.74 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.74 7.81 31 S 7.70 4.06 0.00 4.06 4.08 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 0.00 0.00 0.00 32 P 0.00 4.42 0.00 2.22 2.21 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 33 E 7.45 4.11 0.00 2.10 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 2.31 2.43 0.00 34 L 7.01 4.68 0.00 1.22 1.36 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.16 3.93 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 36 A 8.16 4.93 1.39 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 0.00 0.00 0.00 37 E 8.10 4.72 0.00 2.03 2.03 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 2.07 2.11 0.00 38 A 7.41 4.46 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 39 K 7.53 4.77 0.00 1.82 1.85 0.00 1.69 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 40 S 8.40 4.21 0.00 4.12 4.18 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 0.00 0.00 0.00 0.00 41 Y 8.10 4.49 0.00 3.00 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 42 F 8.27 4.17 0.00 3.05 3.28 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 43 E 8.08 3.76 0.00 2.16 1.94 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 2.35 2.66 0.00 44 K 7.66 4.16 0.00 1.98 1.96 0.00 1.98 0.00 0.00 1.92 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.74 7.81 45 S 7.90 3.96 0.00 3.76 3.60 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 46 K 7.33 3.83 0.00 1.38 1.76 0.00 1.38 0.00 0.00 1.48 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.30 7.81 47 E 7.70 4.25 0.00 2.11 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 2.29 2.50 0.00 48 Q 7.48 4.45 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.56 0.00 49 L 7.58 4.01 0.00 1.62 1.66 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.69 3.71 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 1.18 0.00 0.00 51 P 0.00 4.27 0.00 2.13 2.09 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.12 0.00 52 L 7.41 4.05 0.00 1.81 1.79 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.30 3.97 2.00 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 1.51 0.95 0.91 0.00 0.00 54 K 8.15 4.25 0.00 1.84 1.84 0.00 1.54 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 55 K 8.03 4.10 0.00 2.08 2.01 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 56 A 7.90 4.24 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 57 G 7.91 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.56 4.84 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 1.27 0.00 0.00 59 E 7.40 4.57 0.00 2.05 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 2.20 2.50 0.00 60 L 7.63 4.13 0.00 1.86 1.80 1.03 0.80 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 61 V 7.81 3.66 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 1.08 0.00 0.00 1.01 0.00 0.00 62 N 8.18 4.44 0.00 3.10 3.03 0.00 0.00 6.78 8.13 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 63 F 8.27 4.46 0.00 3.05 3.13 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 0.00 0.00 0.00 0.00 64 L 7.99 4.19 0.00 1.94 1.78 1.15 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.01 4.19 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 66 Y 7.79 4.45 0.00 3.10 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 67 F 7.72 4.57 0.00 3.07 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 68 V 7.65 3.76 2.20 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 1.03 0.00 0.00 1.00 0.00 0.00 69 E 8.16 4.11 0.00 2.32 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 0.00 2.39 2.37 0.00 70 L 7.82 4.74 0.00 1.76 1.76 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.48 4.35 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 0.00 72 T 7.93 4.08 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 1.21 0.00 0.00 73 Q 8.17 4.11 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 74 P 0.00 4.31 0.00 2.05 2.01 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 75 A 8.36 4.69 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 76 T 7.56 4.47 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 1.21 0.00 0.00 77 Q 8.62 4.17 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.