#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kn9 s ALA 2 N 0.00 3.34 -0.21 3.04 0.00 -1.26 -5.01 121.76 121.66 2kn9 s ALA 2 Ca 0.00 -0.69 0.02 0.00 0.00 0.00 0.00 51.96 51.29 2kn9 s ALA 2 Cb 0.00 -3.51 0.04 0.00 0.00 0.00 0.00 23.12 19.64 2kn9 s ALA 2 CO 0.00 -1.76 -0.16 -1.01 0.00 0.00 0.00 175.76 172.83 2kn9 s HIS 3 N 3.44 2.94 0.06 0.00 3.76 -1.26 -5.12 115.29 119.11 2kn9 s HIS 3 Ca 0.35 -1.91 0.06 0.00 -0.15 0.00 0.00 55.06 53.41 2kn9 s HIS 3 Cb -0.12 -1.90 -0.04 0.00 1.11 0.00 0.00 32.58 31.64 2kn9 s HIS 3 CO 0.21 -0.83 -0.12 -1.01 -0.85 0.00 0.00 174.74 172.14 2kn9 s HIS 4 N 1.22 2.70 -0.07 1.40 4.02 -1.26 -5.12 115.29 118.18 2kn9 s HIS 4 Ca -0.01 -0.17 0.03 0.00 1.02 0.00 0.00 55.06 55.93 2kn9 s HIS 4 Cb -0.16 -1.48 0.01 0.00 -1.02 0.00 0.00 32.58 29.93 2kn9 s HIS 4 CO -0.09 0.35 -0.14 -1.01 1.02 0.00 0.00 174.74 174.87 2kn9 s HIS 5 N -1.06 1.61 0.50 1.40 3.76 -1.26 -5.13 115.29 115.11 2kn9 s HIS 5 Ca 0.18 -0.60 -0.21 0.00 -0.15 0.00 0.00 55.06 54.27 2kn9 s HIS 5 Cb -0.11 -1.16 -0.07 0.00 1.11 0.00 0.00 32.58 32.36 2kn9 s HIS 5 CO 0.09 -0.29 1.14 -3.38 -0.85 0.00 0.00 174.74 171.44 2kn9 s HIS 6 N 0.60 2.80 -0.02 1.40 -0.00 -1.26 -5.02 115.29 113.79 2kn9 s HIS 6 Ca -0.15 1.55 0.01 0.00 -0.00 0.00 0.00 55.06 56.47 2kn9 s HIS 6 Cb -0.16 -3.31 -0.03 0.00 -0.00 0.00 0.00 32.58 29.08 2kn9 s HIS 6 CO 0.04 -1.45 -0.03 -1.01 -0.00 0.00 0.00 174.74 172.29 2kn9 s HIS 7 N -1.68 3.01 -0.07 0.38 4.02 -1.26 -5.08 115.29 114.61 2kn9 s HIS 7 Ca 0.68 0.06 -0.30 0.00 1.02 0.00 0.00 55.06 56.52 2kn9 s HIS 7 Cb -0.25 -1.68 -0.03 0.00 -1.02 0.00 0.00 32.58 29.60 2kn9 s HIS 7 CO 0.30 0.42 1.16 -1.01 1.02 0.00 0.00 174.74 176.62 2kn9 s HIS 8 N -0.99 3.25 0.19 1.40 3.76 -1.26 -4.95 115.29 116.70 2kn9 s HIS 8 Ca 0.17 1.29 -0.07 0.00 -0.15 0.00 0.00 55.06 56.30 2kn9 s HIS 8 Cb -0.11 -3.37 0.10 0.00 1.11 0.00 0.00 32.58 30.30 2kn9 s HIS 8 CO 0.07 -1.08 1.59 0.52 -0.85 0.00 0.00 174.74 174.99 2kn9 h MET 9 N 7.39 0.90 0.00 1.40 0.00 -2.06 -3.49 114.93 119.08 2kn9 h MET 9 Ca -0.33 -0.37 0.00 0.00 0.00 0.00 0.00 59.70 59.00 2kn9 h MET 9 Cb 1.16 -0.04 0.00 0.00 0.00 0.00 0.00 31.60 32.72 2kn9 h MET 9 CO 0.88 1.02 0.00 0.41 0.00 0.00 0.00 176.91 179.22 2kn9 n GLY 10 N -0.19 0.25 3.40 8.32 0.00 -1.26 -5.13 105.19 110.59 2kn9 n GLY 10 Ca 0.00 -1.30 -0.16 0.00 0.00 0.00 0.00 46.02 44.57 2kn9 n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kn9 s THR 11 N -3.88 0.02 0.49 2.61 2.01 -1.26 -5.17 115.64 110.46 2kn9 s THR 11 Ca 0.00 -0.20 -0.03 0.00 0.31 0.00 0.00 61.69 61.77 2kn9 s THR 11 Cb 0.00 -0.86 -0.01 0.00 0.01 0.00 0.00 72.50 71.64 2kn9 s THR 11 CO 0.00 -0.11 0.76 -0.76 -0.69 0.00 0.00 174.62 173.82 2kn9 s LEU 12 N -1.32 3.54 -0.15 4.42 2.01 -1.26 -5.05 118.68 120.86 2kn9 s LEU 12 Ca -0.11 0.57 -0.23 0.00 0.01 0.00 0.00 54.13 54.37 2kn9 s LEU 12 Cb -0.02 -3.45 -0.03 0.00 0.01 0.00 0.00 46.19 42.70 2kn9 s LEU 12 CO 0.07 -0.76 0.70 -1.61 1.01 0.00 0.00 176.35 175.76 2kn9 s GLU 13 N -4.72 4.30 0.00 1.70 2.02 -1.26 -4.92 118.70 115.82 2kn9 s GLU 13 Ca 0.49 0.80 0.25 0.00 0.02 0.00 0.00 54.97 56.53 2kn9 s GLU 13 Cb -0.10 -3.54 0.41 0.00 0.10 0.00 0.00 34.13 31.00 2kn9 s GLU 13 CO 0.42 -0.17 1.34 0.00 0.02 0.00 0.00 175.26 176.86 2kn9 n ALA 14 N 4.73 3.55 -0.50 5.21 0.00 -1.26 -4.60 120.51 127.64 2kn9 n ALA 14 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2kn9 n ALA 14 Cb 0.50 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.93 2kn9 n ALA 14 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2kn9 n GLN 15 N -0.92 0.00 -3.37 0.00 6.02 -1.26 -4.96 117.38 112.89 2kn9 n GLN 15 Ca 0.08 0.25 -0.17 0.00 -0.01 0.00 0.00 57.00 57.15 2kn9 n GLN 15 Cb 0.36 -1.18 0.04 0.00 1.02 0.00 0.00 30.24 30.48 2kn9 n GLN 15 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2kn9 n THR 16 N -1.25 -8.03 -4.09 5.09 -1.04 -1.26 -5.01 114.28 98.68 2kn9 n THR 16 Ca 0.00 -0.89 -0.22 0.00 -2.04 0.00 0.00 64.05 60.90 2kn9 n THR 16 Cb 0.00 -5.73 -0.04 0.00 -1.82 0.00 0.00 70.33 62.74 2kn9 n THR 16 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2kn9 s GLN 17 N -4.59 3.00 0.00 -2.82 -0.21 -1.26 -5.13 119.66 108.65 2kn9 s GLN 17 Ca 0.33 -1.00 0.00 0.00 0.02 0.00 0.00 55.36 54.71 2kn9 s GLN 17 Cb -0.08 -2.62 0.00 0.00 1.00 0.00 0.00 33.01 31.32 2kn9 s GLN 17 CO 0.79 0.41 0.00 0.41 -2.12 0.00 0.00 175.29 174.78 2kn9 n GLY 18 N -1.16 1.31 3.95 3.09 0.00 -1.26 -5.10 105.19 106.03 2kn9 n GLY 18 Ca -0.08 -1.48 -0.26 0.00 0.00 0.00 0.00 46.02 44.20 2kn9 n GLY 18 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kn9 s PRO 19 N 2.16 1.51 -0.41 1.61 0.04 -1.26 -5.06 135.00 133.58 2kn9 s PRO 19 Ca 0.00 -0.61 0.10 0.00 0.04 0.00 0.00 61.00 60.53 2kn9 s PRO 19 Cb 0.00 -2.12 0.32 0.00 0.04 0.00 0.00 34.50 32.74 2kn9 s PRO 19 CO 0.00 -1.69 0.72 0.41 0.04 0.00 0.00 177.00 176.48 2kn9 n GLY 20 N -3.16 3.77 3.73 0.56 0.00 -1.26 -4.79 105.19 104.04 2kn9 n GLY 20 Ca 0.13 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 2kn9 n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kn9 s SER 21 N -2.31 6.89 0.06 1.61 1.04 -1.26 -4.77 113.70 114.96 2kn9 s SER 21 Ca 0.40 2.37 0.23 0.00 0.48 0.00 0.00 55.95 59.43 2kn9 s SER 21 Cb 0.29 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.81 2kn9 s SER 21 CO -0.09 -0.55 0.98 0.23 0.98 0.00 0.00 173.24 174.78 2kn9 n MET 22 N 2.96 0.35 -2.89 4.02 2.81 -1.26 -4.52 117.12 118.59 2kn9 n MET 22 Ca 0.07 -0.01 -0.20 0.00 -1.81 0.00 0.00 57.70 55.75 2kn9 n MET 22 Cb 0.43 -1.61 0.06 0.00 -0.71 0.00 0.00 33.22 31.39 2kn9 n MET 22 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2kn9 s ASN 23 N -4.12 5.00 -1.23 7.83 0.01 -1.26 -4.98 114.94 116.18 2kn9 s ASN 23 Ca 0.02 -0.61 -0.20 0.00 -0.71 0.00 0.00 52.86 51.36 2kn9 s ASN 23 Cb 0.14 0.01 -0.01 0.00 0.41 0.00 0.00 41.25 41.80 2kn9 s ASN 23 CO 0.81 -1.38 1.86 -0.67 -1.51 0.00 0.00 177.10 176.21 2kn9 n ASP 24 N -2.35 3.94 -4.30 -1.22 2.03 -1.26 -4.90 116.55 108.50 2kn9 n ASP 24 Ca 0.14 -2.80 -0.17 0.00 0.52 0.00 0.00 54.79 52.47 2kn9 n ASP 24 Cb 0.61 -1.71 -0.10 0.00 -0.72 0.00 0.00 41.12 39.19 2kn9 n ASP 24 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2kn9 s TYR 25 N 7.34 1.53 0.11 -0.67 2.02 -1.26 -5.04 117.35 121.39 2kn9 s TYR 25 Ca 0.60 -0.62 0.03 0.00 -0.37 0.00 0.00 57.07 56.71 2kn9 s TYR 25 Cb 0.03 -0.74 -0.04 0.00 -0.40 0.00 0.00 41.96 40.80 2kn9 s TYR 25 CO 0.10 0.24 0.18 0.15 -1.57 0.00 0.00 175.55 174.64 2kn9 s LYS 26 N -3.43 3.16 -0.35 -0.62 1.02 -1.26 -4.19 119.74 114.08 2kn9 s LYS 26 Ca 0.18 -0.65 -0.03 0.00 0.02 0.00 0.00 55.97 55.49 2kn9 s LYS 26 Cb -0.01 -2.84 0.07 0.00 -0.52 0.00 0.00 37.83 34.53 2kn9 s LYS 26 CO 0.04 0.54 0.10 -1.17 -0.92 0.00 0.00 175.35 173.94 2kn9 s LEU 27 N -2.82 4.50 -0.32 3.17 2.96 -0.15 -1.32 118.68 124.70 2kn9 s LEU 27 Ca 0.32 -1.55 -0.15 0.00 -0.22 0.00 0.00 54.13 52.54 2kn9 s LEU 27 Cb -0.12 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 2kn9 s LEU 27 CO 0.25 -0.38 0.36 -0.36 -1.32 0.00 0.00 176.35 174.90 2kn9 s PHE 28 N 1.23 3.22 -0.21 5.38 0.40 0.13 -0.08 117.98 128.05 2kn9 s PHE 28 Ca 0.01 0.09 -0.06 0.00 -0.60 0.00 0.00 56.93 56.36 2kn9 s PHE 28 Cb -0.21 -2.65 -0.03 0.00 0.51 0.00 0.00 43.02 40.64 2kn9 s PHE 28 CO -0.02 -0.38 0.04 0.50 0.70 0.00 0.00 175.22 176.06 2kn9 s ARG 29 N 2.04 3.73 -0.01 0.44 3.52 -0.30 0.28 118.95 128.65 2kn9 s ARG 29 Ca 0.13 -0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 54.97 2kn9 s ARG 29 Cb -0.16 -3.18 -0.06 0.00 -1.56 0.00 0.00 34.95 29.98 2kn9 s ARG 29 CO 0.11 0.04 1.53 0.00 -0.81 0.00 0.00 175.30 176.17 2kn9 h ILE 31 N 5.10 0.00 0.00 0.00 3.07 -0.76 0.23 117.51 125.16 2kn9 h ILE 31 Ca -0.39 -0.77 -0.07 0.00 1.55 0.00 0.00 64.86 65.18 2kn9 h ILE 31 Cb 1.18 1.76 -0.01 0.00 -0.27 0.00 0.00 36.82 39.48 2kn9 h ILE 31 CO 0.93 0.00 -0.33 1.56 -1.05 0.00 0.00 178.15 179.26 2kn9 h GLN 32 N 0.00 0.00 0.00 0.16 1.08 -1.91 -3.42 115.11 111.02 2kn9 h GLN 32 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2kn9 h GLN 32 Cb 0.78 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 2kn9 h GLN 32 CO 0.00 0.33 0.00 0.00 -0.95 0.00 0.00 178.83 178.21 2kn9 n GLY 34 N 1.39 -0.94 3.57 0.00 0.00 0.79 -5.02 105.19 104.98 2kn9 n GLY 34 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 2kn9 n GLY 34 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2kn9 n PHE 35 N 0.00 1.95 -3.39 1.61 7.35 -1.25 -4.55 117.46 119.17 2kn9 n PHE 35 Ca 0.00 0.04 -0.41 0.00 -0.76 0.00 0.00 57.45 56.32 2kn9 n PHE 35 Cb 0.00 -2.64 -0.09 0.00 0.35 0.00 0.00 39.48 37.09 2kn9 n PHE 35 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2kn9 s GLU 36 N 5.66 3.57 -0.28 -4.13 2.02 -1.26 -0.16 118.70 124.12 2kn9 s GLU 36 Ca 1.02 -0.39 -0.09 0.00 0.02 0.00 0.00 54.97 55.52 2kn9 s GLU 36 Cb -0.62 -3.80 -0.03 0.00 0.10 0.00 0.00 34.13 29.78 2kn9 s GLU 36 CO 0.45 -0.53 0.14 -0.47 0.02 0.00 0.00 175.26 174.86 2kn9 s TYR 37 N 2.05 3.16 -0.21 1.61 5.04 0.14 -4.94 117.35 124.20 2kn9 s TYR 37 Ca 0.12 -0.31 -0.10 0.00 -2.44 0.00 0.00 57.07 54.34 2kn9 s TYR 37 Cb -0.16 -2.32 -0.05 0.00 0.35 0.00 0.00 41.96 39.77 2kn9 s TYR 37 CO 0.12 -0.34 0.12 0.34 -1.34 0.00 0.00 175.55 174.46 2kn9 s ASP 38 N 1.66 6.09 0.46 4.32 2.15 -1.26 0.21 116.67 130.30 2kn9 s ASP 38 Ca 0.06 0.18 0.12 0.00 0.43 0.00 0.00 52.55 53.34 2kn9 s ASP 38 Cb -0.16 -2.07 1.05 0.00 -0.30 0.00 0.00 42.92 41.44 2kn9 s ASP 38 CO 0.07 0.15 2.08 -0.33 -0.17 0.00 0.00 175.17 176.98 2kn9 h GLU 39 N 6.85 0.23 -0.15 4.34 5.08 -1.49 0.27 114.58 129.70 2kn9 h GLU 39 Ca -0.40 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 57.72 2kn9 h GLU 39 Cb 1.16 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.37 2kn9 h GLU 39 CO 0.73 0.19 -0.78 0.00 -1.00 0.00 0.00 179.01 178.15 2kn9 h ALA 40 N 1.86 0.32 0.17 3.43 0.00 -1.87 0.77 119.26 123.95 2kn9 h ALA 40 Ca 0.06 -0.60 -0.31 0.00 0.00 0.00 0.00 54.91 54.06 2kn9 h ALA 40 Cb 0.03 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 17.83 2kn9 h ALA 40 CO -0.01 0.69 -1.33 -0.07 0.00 0.00 0.00 179.25 178.53 2kn9 h LEU 41 N 0.54 0.78 0.00 0.00 3.38 -1.85 -3.03 115.31 115.13 2kn9 h LEU 41 Ca -0.05 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.14 2kn9 h LEU 41 Cb 1.40 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2kn9 h LEU 41 CO 0.16 1.59 0.00 0.61 0.09 0.00 0.00 178.44 180.89 2kn9 n GLY 42 N 1.51 -0.81 2.67 0.83 0.00 0.90 -3.99 105.19 106.30 2kn9 n GLY 42 Ca -0.14 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 2kn9 n GLY 42 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2kn9 s TRP 43 N 0.00 -0.91 -0.94 1.61 -0.11 0.05 -4.72 118.94 113.92 2kn9 s TRP 43 Ca 0.00 -1.02 0.24 0.00 1.22 0.00 0.00 56.10 56.54 2kn9 s TRP 43 Cb 0.00 -0.00 0.98 0.00 -1.50 0.00 0.00 33.47 32.95 2kn9 s TRP 43 CO 0.00 -1.16 1.75 -2.30 -4.62 0.00 0.00 176.95 170.62 2kn9 n PRO 44 N 2.93 0.04 -0.35 5.86 -0.02 -0.57 -1.56 135.00 141.33 2kn9 n PRO 44 Ca 0.21 0.13 0.04 0.00 -2.02 0.00 0.00 63.50 61.86 2kn9 n PRO 44 Cb 0.54 -1.55 0.19 0.00 -0.02 0.00 0.00 33.50 32.66 2kn9 n PRO 44 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2kn9 h GLU 45 N 0.00 1.00 0.00 -0.52 4.39 -1.95 -2.38 114.58 115.12 2kn9 h GLU 45 Ca 0.00 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 2kn9 h GLU 45 Cb 0.43 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2kn9 h GLU 45 CO 0.00 0.66 -1.53 -3.47 -1.16 0.00 0.00 179.01 173.51 2kn9 n ASP 46 N -4.59 0.44 0.00 1.42 2.03 -1.13 -4.96 116.55 109.76 2kn9 n ASP 46 Ca 0.16 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.64 2kn9 n ASP 46 Cb 0.25 1.13 0.00 0.00 -0.72 0.00 0.00 41.12 41.78 2kn9 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kn9 n GLY 47 N 1.26 0.81 3.57 0.27 0.00 -0.90 -5.09 105.19 105.11 2kn9 n GLY 47 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2kn9 n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kn9 s ILE 48 N -0.52 3.78 0.57 -0.61 1.09 -0.60 -4.82 121.20 120.08 2kn9 s ILE 48 Ca 0.00 0.64 -0.18 0.00 -1.10 0.00 0.00 60.65 60.00 2kn9 s ILE 48 Cb 0.00 -4.52 -0.05 0.00 -1.06 0.00 0.00 42.46 36.83 2kn9 s ILE 48 CO 0.00 -1.28 1.10 0.00 -0.10 0.00 0.00 174.94 174.66 2kn9 s ALA 49 N 6.04 2.68 0.03 9.38 0.00 -1.26 -0.77 121.76 137.86 2kn9 s ALA 49 Ca 0.49 0.68 -0.31 0.00 0.00 0.00 0.00 51.96 52.82 2kn9 s ALA 49 Cb -0.10 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.60 2kn9 s ALA 49 CO 0.23 -0.81 1.92 0.00 0.00 0.00 0.00 175.76 177.10 2kn9 n ALA 50 N -1.58 1.55 0.00 0.00 0.00 -1.26 -1.13 120.51 118.10 2kn9 n ALA 50 Ca 0.11 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2kn9 n ALA 50 Cb 0.52 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.34 2kn9 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kn9 n GLY 51 N 4.44 0.62 3.69 0.00 0.00 0.26 -4.93 105.19 109.27 2kn9 n GLY 51 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2kn9 n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kn9 s THR 52 N -2.00 3.38 0.52 2.61 2.01 -0.28 -4.91 115.64 116.97 2kn9 s THR 52 Ca 0.00 0.81 -0.20 0.00 0.31 0.00 0.00 61.69 62.61 2kn9 s THR 52 Cb 0.00 -3.52 -0.07 0.00 0.01 0.00 0.00 72.50 68.92 2kn9 s THR 52 CO 0.00 0.00 1.08 -0.13 -0.69 0.00 0.00 174.62 174.88 2kn9 s ARG 53 N 2.43 3.56 0.53 4.92 1.81 -1.26 -4.74 118.95 126.20 2kn9 s ARG 53 Ca 0.68 1.47 0.27 0.00 -1.72 0.00 0.00 55.73 56.44 2kn9 s ARG 53 Cb -0.35 -2.05 1.47 0.00 -0.45 0.00 0.00 34.95 33.57 2kn9 s ARG 53 CO 0.29 -0.65 2.08 2.35 -0.68 0.00 0.00 175.30 178.70 2kn9 h TRP 54 N 1.32 0.00 0.00 -0.53 2.91 -1.94 -0.74 115.95 116.97 2kn9 h TRP 54 Ca -0.50 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.45 2kn9 h TRP 54 Cb 1.24 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.88 2kn9 h TRP 54 CO 0.54 0.11 -0.36 -0.44 -1.03 0.00 0.00 178.44 177.26 2kn9 h ASP 55 N 0.00 0.00 0.25 2.65 5.19 -2.01 -3.10 116.42 119.40 2kn9 h ASP 55 Ca -0.00 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.07 2kn9 h ASP 55 Cb 0.31 0.00 0.03 0.00 0.18 0.00 0.00 39.33 39.85 2kn9 h ASP 55 CO 0.01 0.36 -1.55 -0.78 -3.12 0.00 0.00 179.24 174.16 2kn9 h ASP 56 N 0.00 0.79 -2.68 6.45 1.82 -1.53 -3.45 116.42 117.83 2kn9 h ASP 56 Ca -0.00 -0.91 -0.52 0.00 -0.39 0.00 0.00 57.03 55.20 2kn9 h ASP 56 Cb 0.86 -0.26 0.05 0.00 0.68 0.00 0.00 39.33 40.66 2kn9 h ASP 56 CO 0.05 1.73 1.00 -0.63 -1.61 0.00 0.00 179.24 179.78 2kn9 s ILE 57 N -2.60 2.19 0.44 2.25 1.01 -0.87 -4.96 121.20 118.66 2kn9 s ILE 57 Ca -0.11 0.10 -0.23 0.00 0.00 0.00 0.00 60.65 60.41 2kn9 s ILE 57 Cb 0.04 -3.06 -0.08 0.00 0.01 0.00 0.00 42.46 39.37 2kn9 s ILE 57 CO 0.93 0.01 1.15 -2.16 0.00 0.00 0.00 174.94 174.87 2kn9 s PRO 58 N 1.35 3.87 0.00 2.79 0.04 -1.26 -4.90 135.00 136.88 2kn9 s PRO 58 Ca 0.75 1.76 0.17 0.00 0.04 0.00 0.00 61.00 63.72 2kn9 s PRO 58 Cb -0.48 -2.48 0.83 0.00 0.04 0.00 0.00 34.50 32.41 2kn9 s PRO 58 CO 0.32 -0.46 1.53 -0.40 0.04 0.00 0.00 177.00 178.04 2kn9 n ASP 59 N -0.33 0.00 0.20 6.66 5.75 -1.26 -1.05 116.55 126.52 2kn9 n ASP 59 Ca 0.06 0.21 0.08 0.00 -0.01 0.00 0.00 54.79 55.14 2kn9 n ASP 59 Cb 0.48 -0.37 0.27 0.00 -1.03 0.00 0.00 41.12 40.47 2kn9 n ASP 59 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2kn9 h ASP 60 N 0.00 0.00 -3.50 -1.12 3.58 -2.02 -3.40 116.42 109.96 2kn9 h ASP 60 Ca 0.00 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 56.93 2kn9 h ASP 60 Cb 0.21 0.00 0.03 0.00 1.72 0.00 0.00 39.33 41.30 2kn9 h ASP 60 CO 0.00 0.25 0.63 0.86 -2.88 0.00 0.00 179.24 178.10 2kn9 s TRP 61 N -3.33 3.27 0.26 0.28 -0.00 -0.22 -5.01 118.94 114.19 2kn9 s TRP 61 Ca 0.03 1.30 0.11 0.00 -0.00 0.00 0.00 56.10 57.54 2kn9 s TRP 61 Cb 0.08 -3.57 -0.05 0.00 -0.00 0.00 0.00 33.47 29.93 2kn9 s TRP 61 CO 0.67 -1.71 -0.11 -1.12 -0.00 0.00 0.00 176.95 174.68 2kn9 s SER 62 N 0.10 4.04 -0.11 5.86 0.01 -1.26 -3.83 113.70 118.51 2kn9 s SER 62 Ca 0.54 -0.81 -0.34 0.00 1.31 0.00 0.00 55.95 56.65 2kn9 s SER 62 Cb -0.36 -0.57 -0.11 0.00 0.21 0.00 0.00 66.02 65.19 2kn9 s SER 62 CO 0.40 0.04 1.93 0.00 0.41 0.00 0.00 173.24 176.02 2kn9 n PRO 64 N 6.94 0.13 -0.05 0.00 -0.02 -1.26 0.40 135.00 141.13 2kn9 n PRO 64 Ca 0.24 0.62 -0.02 0.00 -2.02 0.00 0.00 63.50 62.32 2kn9 n PRO 64 Cb 0.31 -2.00 -0.01 0.00 -0.02 0.00 0.00 33.50 31.78 2kn9 n PRO 64 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2kn9 h ASP 65 N 0.00 0.00 -0.05 2.55 3.58 -1.97 -3.43 116.42 117.10 2kn9 h ASP 65 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kn9 h ASP 65 Cb 0.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2kn9 h ASP 65 CO 0.00 0.53 0.00 0.00 -2.88 0.00 0.00 179.24 176.89 2kn9 n GLY 67 N 0.09 -0.27 3.91 0.00 0.00 0.16 -4.97 105.19 104.12 2kn9 n GLY 67 Ca 0.03 0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 2kn9 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kn9 s ALA 68 N -3.21 3.84 0.94 4.61 0.00 -1.25 -4.69 121.76 122.00 2kn9 s ALA 68 Ca 0.42 -0.69 -0.13 0.00 0.00 0.00 0.00 51.96 51.56 2kn9 s ALA 68 Cb -0.19 -2.03 0.15 0.00 0.00 0.00 0.00 23.12 21.05 2kn9 s ALA 68 CO 0.52 0.63 1.14 0.00 0.00 0.00 0.00 175.76 178.05 2kn9 s ALA 69 N -1.70 1.69 0.51 0.00 0.00 -1.26 0.84 121.76 121.83 2kn9 s ALA 69 Ca 0.39 -0.59 0.16 0.00 0.00 0.00 0.00 51.96 51.92 2kn9 s ALA 69 Cb -0.12 -3.01 1.22 0.00 0.00 0.00 0.00 23.12 21.21 2kn9 s ALA 69 CO 0.27 -2.41 2.12 0.87 0.00 0.00 0.00 175.76 176.61 2kn9 h LYS 70 N -1.59 0.00 0.00 0.00 1.57 -1.77 0.13 116.57 114.91 2kn9 h LYS 70 Ca -0.50 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2kn9 h LYS 70 Cb 1.32 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2kn9 h LYS 70 CO 0.59 0.03 0.00 0.45 -0.57 0.00 0.00 179.45 179.95 2kn9 n SER 71 N -4.50 0.36 -0.72 0.86 2.88 -1.26 -1.09 113.62 110.14 2kn9 n SER 71 Ca -0.03 0.58 0.09 0.00 -1.33 0.00 0.00 58.87 58.18 2kn9 n SER 71 Cb 0.12 -0.66 0.27 0.00 -0.75 0.00 0.00 64.21 63.19 2kn9 n SER 71 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2kn9 n ASP 72 N -1.89 2.12 -4.82 -3.46 8.00 0.03 -4.84 116.55 111.70 2kn9 n ASP 72 Ca 0.03 -1.87 -0.31 0.00 0.71 0.00 0.00 54.79 53.35 2kn9 n ASP 72 Cb 0.22 -0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.06 2kn9 n ASP 72 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2kn9 s PHE 73 N -1.60 3.29 -0.04 1.24 0.40 -0.25 0.02 117.98 121.04 2kn9 s PHE 73 Ca 0.31 0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.80 2kn9 s PHE 73 Cb 0.17 -1.67 -0.03 0.00 0.51 0.00 0.00 43.02 42.00 2kn9 s PHE 73 CO 0.24 0.54 -0.11 -1.83 0.70 0.00 0.00 175.22 174.76 2kn9 s GLU 74 N -2.38 2.57 -0.58 0.44 -1.05 0.63 -4.88 118.70 113.44 2kn9 s GLU 74 Ca 0.31 -0.67 -0.24 0.00 -0.15 0.00 0.00 54.97 54.22 2kn9 s GLU 74 Cb -0.12 -2.46 0.05 0.00 -0.44 0.00 0.00 34.13 31.15 2kn9 s GLU 74 CO 0.23 0.63 0.97 1.41 0.95 0.00 0.00 175.26 179.46 2kn9 s MET 75 N -0.92 3.29 -0.25 -4.83 -2.45 -1.26 -1.16 119.30 111.72 2kn9 s MET 75 Ca 0.13 -0.36 -0.09 0.00 -1.25 0.00 0.00 55.69 54.12 2kn9 s MET 75 Cb -0.11 -4.09 -0.04 0.00 1.25 0.00 0.00 34.83 31.84 2kn9 s MET 75 CO 0.02 -1.59 0.13 0.08 1.05 0.00 0.00 175.02 174.70 2kn9 s VAL 76 N 4.10 4.92 0.31 10.11 1.01 0.89 -4.99 120.40 136.75 2kn9 s VAL 76 Ca 0.29 0.03 -0.28 0.00 0.00 0.00 0.00 61.98 62.02 2kn9 s VAL 76 Cb -0.13 -3.30 -0.09 0.00 0.00 0.00 0.00 36.38 32.86 2kn9 s VAL 76 CO 0.17 0.33 1.12 -1.61 0.00 0.00 0.00 175.10 175.12 2kn9 s GLU 77 N 1.35 4.49 -0.38 2.72 2.02 -1.26 -0.98 118.70 126.66 2kn9 s GLU 77 Ca 0.06 1.82 -0.28 0.00 0.02 0.00 0.00 54.97 56.59 2kn9 s GLU 77 Cb -0.15 -3.05 -0.02 0.00 0.10 0.00 0.00 34.13 31.02 2kn9 s GLU 77 CO 0.06 0.07 1.77 0.14 0.02 0.00 0.00 175.26 177.32 2kn9 s VAL 78 N -1.24 3.50 -0.77 2.63 -7.23 -1.26 -4.83 120.40 111.19 2kn9 s VAL 78 Ca 0.48 0.48 0.00 0.00 -1.81 0.00 0.00 61.98 61.13 2kn9 s VAL 78 Cb -0.32 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 32.88 2kn9 s VAL 78 CO 0.41 -0.53 0.48 0.00 -0.31 0.00 0.00 175.10 175.15 2kn9 n ALA 79 N 10.57 2.20 -2.87 1.32 0.00 -1.26 -4.84 120.51 125.63 2kn9 n ALA 79 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.58 2kn9 n ALA 79 Cb 0.48 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.94 2kn9 n ALA 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kn9 n ARG 80 N 0.22 -2.53 0.00 0.00 5.12 -1.26 -5.19 116.66 113.02 2kn9 n ARG 80 Ca 0.00 2.19 0.14 0.00 -1.93 0.00 0.00 57.85 58.25 2kn9 n ARG 80 Cb 0.24 -5.40 0.52 0.00 -1.16 0.00 0.00 32.46 26.66 2kn9 n ARG 80 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15