#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj6 n GLY 2 N 0.00 5.16 3.63 3.03 0.00 -1.26 -5.03 105.19 110.73 2kj6 n GLY 2 Ca 0.00 -2.30 -0.43 0.00 0.00 0.00 0.00 46.02 43.29 2kj6 n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kj6 s HIS 3 N -3.60 2.17 0.03 1.61 2.46 -1.26 -4.99 115.29 111.72 2kj6 s HIS 3 Ca 0.44 0.59 0.04 0.00 0.47 0.00 0.00 55.06 56.61 2kj6 s HIS 3 Cb 0.39 -3.98 -0.02 0.00 -0.13 0.00 0.00 32.58 28.84 2kj6 s HIS 3 CO -0.02 -2.78 -0.13 -3.38 -2.47 0.00 0.00 174.74 165.96 2kj6 s HIS 4 N 5.15 1.15 -0.08 3.88 0.00 -1.26 -5.14 115.29 118.99 2kj6 s HIS 4 Ca 0.70 -0.35 0.00 0.00 -3.00 0.00 0.00 55.06 52.41 2kj6 s HIS 4 Cb -0.24 -0.69 0.02 0.00 -4.00 0.00 0.00 32.58 27.68 2kj6 s HIS 4 CO 0.29 0.02 -0.06 -3.38 -1.00 0.00 0.00 174.74 170.60 2kj6 s HIS 5 N -0.83 1.19 -0.04 0.38 -0.00 -1.26 -5.13 115.29 109.60 2kj6 s HIS 5 Ca 0.01 -0.49 0.02 0.00 -0.00 0.00 0.00 55.06 54.60 2kj6 s HIS 5 Cb -0.08 -1.02 -0.03 0.00 -0.00 0.00 0.00 32.58 31.46 2kj6 s HIS 5 CO 0.01 -0.37 -0.09 -1.01 -0.00 0.00 0.00 174.74 173.28 2kj6 s HIS 6 N 1.41 2.86 -0.95 0.38 4.02 -1.26 -5.07 115.29 116.68 2kj6 s HIS 6 Ca -0.02 -0.04 -0.17 0.00 1.02 0.00 0.00 55.06 55.85 2kj6 s HIS 6 Cb -0.13 -1.65 0.16 0.00 -1.02 0.00 0.00 32.58 29.93 2kj6 s HIS 6 CO -0.04 0.31 1.10 -1.01 1.02 0.00 0.00 174.74 176.12 2kj6 s HIS 7 N -0.86 3.34 -0.72 1.40 0.09 -1.26 -4.96 115.29 112.31 2kj6 s HIS 7 Ca 0.14 -1.66 -0.24 0.00 -0.00 0.00 0.00 55.06 53.30 2kj6 s HIS 7 Cb -0.11 -4.18 0.05 0.00 -0.00 0.00 0.00 32.58 28.35 2kj6 s HIS 7 CO 0.03 -1.36 1.13 -1.58 -0.00 0.00 0.00 174.74 172.97 2kj6 s HIS 8 N 1.89 2.52 -0.24 1.40 5.04 -1.26 -4.95 115.29 119.68 2kj6 s HIS 8 Ca 0.31 -0.39 -0.29 0.00 -1.54 0.00 0.00 55.06 53.15 2kj6 s HIS 8 Cb -0.06 -4.46 -0.06 0.00 0.04 0.00 0.00 32.58 28.05 2kj6 s HIS 8 CO -0.08 -1.84 2.23 0.43 -2.34 0.00 0.00 174.74 173.14 2kj6 n SER 9 N 8.43 3.12 -3.57 9.88 7.64 -1.26 -4.90 113.62 132.97 2kj6 n SER 9 Ca 0.02 0.19 -0.06 0.00 1.01 0.00 0.00 58.87 60.02 2kj6 n SER 9 Cb 0.47 -1.53 -0.02 0.00 -1.01 0.00 0.00 64.21 62.12 2kj6 n SER 9 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2kj6 s HIS 10 N 8.43 -0.26 0.13 1.43 -0.00 -1.26 -5.18 115.29 118.57 2kj6 s HIS 10 Ca 1.02 0.10 -0.02 0.00 -0.00 0.00 0.00 55.06 56.15 2kj6 s HIS 10 Cb -0.37 0.56 0.03 0.00 -0.00 0.00 0.00 32.58 32.80 2kj6 s HIS 10 CO 0.36 -0.56 0.16 0.41 -0.00 0.00 0.00 174.74 175.12 2kj6 n GLY 11 N -0.29 -1.40 3.57 -1.38 0.00 -1.26 -4.90 105.19 99.54 2kj6 n GLY 11 Ca -0.07 -1.64 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 2kj6 n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kj6 s ASP 12 N -1.66 6.45 -0.39 1.61 2.15 -1.26 -4.83 116.67 118.74 2kj6 s ASP 12 Ca 0.09 -2.03 0.01 0.00 0.43 0.00 0.00 52.55 51.06 2kj6 s ASP 12 Cb -0.00 -2.58 0.12 0.00 -0.30 0.00 0.00 42.92 40.16 2kj6 s ASP 12 CO 0.07 -1.57 0.19 -0.62 -0.17 0.00 0.00 175.17 173.07 2kj6 s ASP 13 N 4.87 3.81 -0.15 -0.34 2.15 -1.26 -5.09 116.67 120.66 2kj6 s ASP 13 Ca 0.55 -2.30 -0.28 0.00 0.43 0.00 0.00 52.55 50.95 2kj6 s ASP 13 Cb 0.02 -1.01 0.07 0.00 -0.30 0.00 0.00 42.92 41.70 2kj6 s ASP 13 CO 0.04 -0.32 0.69 -0.44 -0.17 0.00 0.00 175.17 174.97 2kj6 s SER 14 N 0.77 -0.69 -0.04 -0.34 0.01 -1.26 -4.09 113.70 108.05 2kj6 s SER 14 Ca 0.15 1.04 -0.17 0.00 1.31 0.00 0.00 55.95 58.28 2kj6 s SER 14 Cb -0.22 0.96 -0.05 0.00 0.21 0.00 0.00 66.02 66.92 2kj6 s SER 14 CO -0.07 -0.44 0.45 0.68 0.41 0.00 0.00 173.24 174.27 2kj6 s VAL 15 N -0.46 5.06 -1.18 3.43 -7.23 -0.04 -4.85 120.40 115.13 2kj6 s VAL 15 Ca -0.06 0.92 -0.20 0.00 -1.81 0.00 0.00 61.98 60.83 2kj6 s VAL 15 Cb -0.02 -3.77 0.04 0.00 0.56 0.00 0.00 36.38 33.18 2kj6 s VAL 15 CO 0.06 0.47 1.69 -1.00 -0.31 0.00 0.00 175.10 176.01 2kj6 s HIS 16 N -0.35 2.54 -0.53 2.82 3.76 0.16 -2.75 115.29 120.93 2kj6 s HIS 16 Ca 0.25 -0.98 -0.28 0.00 -0.15 0.00 0.00 55.06 53.91 2kj6 s HIS 16 Cb -0.16 -4.60 0.03 0.00 1.11 0.00 0.00 32.58 28.96 2kj6 s HIS 16 CO 0.13 -1.77 1.11 -0.51 -0.85 0.00 0.00 174.74 172.85 2kj6 s LEU 17 N 5.71 3.66 -0.38 0.89 1.43 -1.20 -2.34 118.68 126.45 2kj6 s LEU 17 Ca 0.55 0.14 -0.20 0.00 -1.03 0.00 0.00 54.13 53.59 2kj6 s LEU 17 Cb 0.02 -3.23 0.01 0.00 0.03 0.00 0.00 46.19 43.01 2kj6 s LEU 17 CO 0.03 -1.33 0.63 -1.00 0.23 0.00 0.00 176.35 174.91 2kj6 s HIS 18 N 4.53 3.13 -0.32 0.29 3.76 -0.96 -0.60 115.29 125.12 2kj6 s HIS 18 Ca 0.42 0.23 -0.29 0.00 -0.15 0.00 0.00 55.06 55.27 2kj6 s HIS 18 Cb -0.08 -3.18 -0.00 0.00 1.11 0.00 0.00 32.58 30.43 2kj6 s HIS 18 CO 0.27 -0.68 1.39 0.42 -0.85 0.00 0.00 174.74 175.28 2kj6 s ILE 19 N 2.71 4.00 -0.24 0.60 -1.09 -0.33 -2.45 121.20 124.40 2kj6 s ILE 19 Ca 0.23 1.09 0.01 0.00 -2.23 0.00 0.00 60.65 59.76 2kj6 s ILE 19 Cb -0.14 -4.10 0.04 0.00 -1.58 0.00 0.00 42.46 36.68 2kj6 s ILE 19 CO 0.16 -0.54 -0.12 -0.89 -1.23 0.00 0.00 174.94 172.32 2kj6 s THR 20 N 4.85 2.30 0.59 2.92 2.01 -0.54 -4.14 115.64 123.62 2kj6 s THR 20 Ca 0.60 -1.32 -0.08 0.00 0.31 0.00 0.00 61.69 61.20 2kj6 s THR 20 Cb -0.17 -2.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.11 2kj6 s THR 20 CO 0.27 0.17 0.93 -1.00 -0.69 0.00 0.00 174.62 174.30 2kj6 s HIS 21 N 1.20 3.44 -0.18 4.92 3.76 -1.26 -0.41 115.29 126.75 2kj6 s HIS 21 Ca -0.03 0.90 0.05 0.00 -0.15 0.00 0.00 55.06 55.83 2kj6 s HIS 21 Cb -0.17 -2.67 -0.22 0.00 1.11 0.00 0.00 32.58 30.63 2kj6 s HIS 21 CO -0.07 -0.70 0.10 0.00 -0.85 0.00 0.00 174.74 173.21 2kj6 n ALA 22 N -2.60 1.32 -0.02 -1.40 0.00 -0.98 -4.48 120.51 112.34 2kj6 n ALA 22 Ca 0.04 -0.99 -0.13 0.00 0.00 0.00 0.00 53.44 52.36 2kj6 n ALA 22 Cb 0.56 -0.36 -0.10 0.00 0.00 0.00 0.00 19.45 19.55 2kj6 n ALA 22 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2kj6 h ASN 23 N 0.02 -0.01 -3.32 0.00 -0.00 -1.91 -3.41 115.58 106.95 2kj6 h ASN 23 Ca -0.50 -0.58 -0.56 0.00 -0.00 0.00 0.00 56.30 54.66 2kj6 h ASN 23 Cb 2.02 0.00 -0.08 0.00 -0.00 0.00 0.00 38.32 40.27 2kj6 h ASN 23 CO 0.00 0.58 0.90 -0.76 -0.00 0.00 0.00 177.43 178.14 2kj6 s LEU 24 N -9.03 3.59 0.28 0.34 1.02 -1.26 -4.89 118.68 108.73 2kj6 s LEU 24 Ca -0.16 0.12 0.04 0.00 0.02 0.00 0.00 54.13 54.14 2kj6 s LEU 24 Cb 0.01 -3.20 0.39 0.00 0.02 0.00 0.00 46.19 43.41 2kj6 s LEU 24 CO 0.67 -1.39 1.68 0.07 0.02 0.00 0.00 176.35 177.40 2kj6 h LYS 25 N 9.43 0.36 -3.51 1.70 2.10 -1.85 -3.36 116.57 121.44 2kj6 h LYS 25 Ca -0.25 -0.17 -0.69 0.00 -2.00 0.00 0.00 60.65 57.54 2kj6 h LYS 25 Cb 1.06 -0.01 -0.36 0.00 -0.90 0.00 0.00 32.23 32.03 2kj6 h LYS 25 CO 1.16 0.69 -0.34 0.45 -2.00 0.00 0.00 179.45 179.41 2kj6 s SER 26 N -6.86 5.29 -0.42 7.07 0.15 -1.26 -4.98 113.70 112.69 2kj6 s SER 26 Ca -0.06 -3.02 0.02 0.00 0.70 0.00 0.00 55.95 53.59 2kj6 s SER 26 Cb 0.13 -1.85 0.15 0.00 -1.71 0.00 0.00 66.02 62.74 2kj6 s SER 26 CO 0.79 -0.33 0.27 0.12 1.20 0.00 0.00 173.24 175.29 2kj6 s PHE 27 N -0.31 1.48 -0.63 3.44 5.36 -1.26 -5.07 117.98 121.00 2kj6 s PHE 27 Ca 0.19 -2.20 -0.20 0.00 -0.96 0.00 0.00 56.93 53.76 2kj6 s PHE 27 Cb -0.18 -1.41 0.10 0.00 -0.34 0.00 0.00 43.02 41.19 2kj6 s PHE 27 CO -0.05 -0.79 0.78 -1.12 -1.46 0.00 0.00 175.22 172.59 2kj6 s SER 28 N 0.39 6.22 -0.24 6.13 0.01 -1.26 -4.68 113.70 120.27 2kj6 s SER 28 Ca 0.22 -1.41 -0.02 0.00 1.31 0.00 0.00 55.95 56.05 2kj6 s SER 28 Cb -0.16 -2.33 0.08 0.00 0.21 0.00 0.00 66.02 63.81 2kj6 s SER 28 CO -0.05 -1.17 0.06 0.00 0.41 0.00 0.00 173.24 172.49 2kj6 s ALA 29 N 2.91 1.17 -0.33 1.44 0.00 -1.26 -5.07 121.76 120.63 2kj6 s ALA 29 Ca 0.15 -1.06 -0.23 0.00 0.00 0.00 0.00 51.96 50.82 2kj6 s ALA 29 Cb -0.21 -1.35 0.00 0.00 0.00 0.00 0.00 23.12 21.56 2kj6 s ALA 29 CO 0.06 -1.37 0.75 0.34 0.00 0.00 0.00 175.76 175.53 2kj6 s ASP 30 N 1.79 6.58 -0.69 0.00 2.15 -1.26 -1.19 116.67 124.05 2kj6 s ASP 30 Ca 0.03 0.49 0.05 0.00 0.43 0.00 0.00 52.55 53.55 2kj6 s ASP 30 Cb -0.17 -2.38 0.18 0.00 -0.30 0.00 0.00 42.92 40.25 2kj6 s ASP 30 CO -0.16 -0.62 0.53 0.00 -0.17 0.00 0.00 175.17 174.75 2kj6 n ALA 31 N 6.20 3.50 -2.59 3.66 0.00 0.23 -5.00 120.51 126.51 2kj6 n ALA 31 Ca 0.02 -4.53 -0.43 0.00 0.00 0.00 0.00 53.44 48.51 2kj6 n ALA 31 Cb 0.48 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 2kj6 n ALA 31 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kj6 s ARG 32 N -1.58 3.58 0.21 0.00 1.70 -1.25 -3.27 118.95 118.34 2kj6 s ARG 32 Ca 0.27 0.29 0.01 0.00 -0.47 0.00 0.00 55.73 55.83 2kj6 s ARG 32 Cb -0.01 -3.96 -0.04 0.00 -0.57 0.00 0.00 34.95 30.37 2kj6 s ARG 32 CO -0.15 -1.43 0.39 -0.06 -1.08 0.00 0.00 175.30 172.97 2kj6 s PHE 33 N 4.35 3.48 0.22 5.89 0.08 -1.11 -4.74 117.98 126.15 2kj6 s PHE 33 Ca 0.42 0.27 -0.31 0.00 0.12 0.00 0.00 56.93 57.42 2kj6 s PHE 33 Cb -0.08 -1.80 -0.11 0.00 -0.57 0.00 0.00 43.02 40.46 2kj6 s PHE 33 CO 0.28 0.38 1.60 -1.12 -0.10 0.00 0.00 175.22 176.25 2kj6 s SER 34 N -3.37 6.49 -1.32 1.36 0.01 -1.26 -0.86 113.70 114.75 2kj6 s SER 34 Ca 0.37 2.77 -0.11 0.00 1.31 0.00 0.00 55.95 60.29 2kj6 s SER 34 Cb -0.11 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.46 2kj6 s SER 34 CO 0.30 -0.87 2.47 -0.81 0.41 0.00 0.00 173.24 174.73 2kj6 n PRO 35 N 3.35 2.86 -0.42 12.44 -0.05 -1.26 -2.96 135.00 148.97 2kj6 n PRO 35 Ca 0.12 -2.09 0.00 0.00 -0.05 0.00 0.00 63.50 61.48 2kj6 n PRO 35 Cb 0.38 -2.86 0.00 0.00 -0.05 0.00 0.00 33.50 30.97 2kj6 n PRO 35 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 175.50 176.39 2kj6 n GLN 36 N 4.76 0.00 -3.95 0.54 7.27 -1.26 -1.29 117.38 123.45 2kj6 n GLN 36 Ca 0.61 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 57.35 2kj6 n GLN 36 Cb 0.27 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.87 2kj6 n GLN 36 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 2kj6 s MET 37 N 0.00 3.34 0.25 3.69 1.75 -1.15 -4.02 119.30 123.15 2kj6 s MET 37 Ca 0.00 -0.39 -0.15 0.00 -1.25 0.00 0.00 55.69 53.89 2kj6 s MET 37 Cb 0.00 -3.02 -0.08 0.00 2.84 0.00 0.00 34.83 34.57 2kj6 s MET 37 CO 0.00 0.65 0.67 -1.12 -0.65 0.00 0.00 175.02 174.57 2kj6 s SER 38 N -2.02 6.84 0.30 1.11 0.01 -1.25 -1.92 113.70 116.78 2kj6 s SER 38 Ca 0.28 1.23 0.01 0.00 1.31 0.00 0.00 55.95 58.78 2kj6 s SER 38 Cb -0.13 -2.35 0.47 0.00 0.21 0.00 0.00 66.02 64.22 2kj6 s SER 38 CO 0.19 -0.06 1.81 0.58 0.41 0.00 0.00 173.24 176.18 2kj6 h VAL 39 N 2.35 1.22 -0.10 3.43 2.07 -1.64 -2.15 116.25 121.42 2kj6 h VAL 39 Ca -0.48 -0.92 0.03 0.00 0.82 0.00 0.00 66.70 66.16 2kj6 h VAL 39 Cb 1.18 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2kj6 h VAL 39 CO 0.66 0.32 0.08 -0.08 0.02 0.00 0.00 177.57 178.57 2kj6 h GLU 40 N 0.60 0.00 -0.35 1.57 4.81 -1.93 -2.65 114.58 116.63 2kj6 h GLU 40 Ca 0.12 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 2kj6 h GLU 40 Cb 0.41 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2kj6 h GLU 40 CO 0.02 0.00 0.04 0.00 -0.73 0.00 0.00 179.01 178.33 2kj6 h ALA 41 N 1.93 0.47 -0.01 2.92 0.00 -1.71 -0.41 119.26 122.45 2kj6 h ALA 41 Ca 0.05 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 2kj6 h ALA 41 Cb 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2kj6 h ALA 41 CO -0.00 0.19 -0.62 -0.24 0.00 0.00 0.00 179.25 178.58 2kj6 h VAL 42 N 0.42 1.44 -0.19 0.00 3.04 -1.59 -2.68 116.25 116.68 2kj6 h VAL 42 Ca 0.10 -2.10 -0.06 0.00 -1.01 0.00 0.00 66.70 63.63 2kj6 h VAL 42 Cb 0.39 2.13 -0.01 0.00 -2.01 0.00 0.00 31.29 31.78 2kj6 h VAL 42 CO 0.01 0.60 -0.15 0.11 -1.01 0.00 0.00 177.57 177.13 2kj6 h LYS 43 N 0.03 0.32 -0.68 4.17 1.57 -1.15 -2.99 116.57 117.83 2kj6 h LYS 43 Ca -0.01 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2kj6 h LYS 43 Cb 1.10 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.33 2kj6 h LYS 43 CO 0.08 0.47 0.42 1.49 -0.57 0.00 0.00 179.45 181.35 2kj6 h GLU 44 N 0.30 0.81 -0.01 3.15 4.81 -0.72 0.43 114.58 123.35 2kj6 h GLU 44 Ca 0.06 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.07 2kj6 h GLU 44 Cb 0.45 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2kj6 h GLU 44 CO 0.03 0.53 -0.77 -0.22 -0.73 0.00 0.00 179.01 177.85 2kj6 h LYS 45 N 0.83 0.10 -0.14 1.92 3.64 -1.61 -0.16 116.57 121.15 2kj6 h LYS 45 Ca 0.27 -0.09 -0.16 0.00 -1.27 0.00 0.00 60.65 59.40 2kj6 h LYS 45 Cb 0.02 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2kj6 h LYS 45 CO -0.11 0.82 -0.59 -0.07 -2.27 0.00 0.00 179.45 177.23 2kj6 h LEU 46 N 0.06 0.51 -0.05 5.20 3.38 -1.25 -1.32 115.31 121.84 2kj6 h LEU 46 Ca -0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 2kj6 h LEU 46 Cb 1.35 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2kj6 h LEU 46 CO 0.11 0.98 -0.03 -0.25 0.09 0.00 0.00 178.44 179.33 2kj6 h TRP 47 N 0.34 0.14 0.00 1.13 7.01 -0.01 -3.01 115.95 121.54 2kj6 h TRP 47 Ca -0.00 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.96 2kj6 h TRP 47 Cb 1.12 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 28.15 2kj6 h TRP 47 CO 0.04 0.53 0.00 1.63 -2.79 0.00 0.00 178.44 177.85 2kj6 n LYS 48 N -4.78 0.85 0.10 2.65 5.02 -0.08 -0.72 118.16 121.19 2kj6 n LYS 48 Ca -0.07 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.13 2kj6 n LYS 48 Cb 0.26 -1.37 -0.05 0.00 -0.02 0.00 0.00 35.03 33.85 2kj6 n LYS 48 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2kj6 h LYS 49 N 0.00 -0.32 -0.00 1.97 1.63 -1.09 -3.38 116.57 115.37 2kj6 h LYS 49 Ca 0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2kj6 h LYS 49 Cb 0.00 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 2kj6 h LYS 49 CO 0.00 -0.04 -0.42 0.00 -3.45 0.00 0.00 179.45 175.53 2kj6 n GLY 51 N 1.15 0.37 3.07 0.00 0.00 0.10 -5.05 105.19 104.83 2kj6 n GLY 51 Ca 0.03 -0.90 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 2kj6 n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kj6 s THR 52 N -2.06 0.94 0.30 2.61 2.01 -1.06 -5.01 115.64 113.37 2kj6 s THR 52 Ca 0.00 -0.51 -0.29 0.00 0.31 0.00 0.00 61.69 61.20 2kj6 s THR 52 Cb 0.00 -0.79 -0.10 0.00 0.01 0.00 0.00 72.50 71.62 2kj6 s THR 52 CO 0.00 0.27 1.44 -0.44 -0.69 0.00 0.00 174.62 175.20 2kj6 s SER 53 N -0.27 6.57 -1.02 3.53 0.01 -1.26 -4.37 113.70 116.89 2kj6 s SER 53 Ca 0.04 2.79 -0.23 0.00 1.31 0.00 0.00 55.95 59.87 2kj6 s SER 53 Cb -0.05 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 2kj6 s SER 53 CO -0.00 -0.73 1.83 -0.69 0.41 0.00 0.00 173.24 174.06 2kj6 s VAL 54 N -0.47 3.61 0.02 3.43 1.01 -1.26 -4.39 120.40 122.35 2kj6 s VAL 54 Ca 0.56 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.85 2kj6 s VAL 54 Cb -0.43 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 31.52 2kj6 s VAL 54 CO 0.50 -1.23 0.00 -3.20 0.00 0.00 0.00 175.10 171.17 2kj6 n ASN 55 N 12.67 0.07 0.01 3.32 5.15 -1.26 -4.86 115.26 130.37 2kj6 n ASN 55 Ca 0.41 0.03 -0.11 0.00 -0.60 0.00 0.00 54.58 54.31 2kj6 n ASN 55 Cb 0.48 -0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.66 2kj6 n ASN 55 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2kj6 h SER 56 N 0.00 0.02 -2.30 1.20 0.02 -2.00 -3.35 113.55 107.15 2kj6 h SER 56 Ca 0.00 0.01 -0.53 0.00 -0.84 0.00 0.00 61.79 60.43 2kj6 h SER 56 Cb 0.54 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 63.02 2kj6 h SER 56 CO 0.00 0.02 1.12 -0.32 -1.14 0.00 0.00 176.83 176.51 2kj6 s MET 57 N -6.19 3.08 -0.27 3.45 -2.45 -1.26 -4.81 119.30 110.86 2kj6 s MET 57 Ca -0.13 -0.05 -0.29 0.00 -1.25 0.00 0.00 55.69 53.97 2kj6 s MET 57 Cb 0.07 -4.22 -0.00 0.00 1.25 0.00 0.00 34.83 31.93 2kj6 s MET 57 CO 0.67 -2.26 1.26 0.00 1.05 0.00 0.00 175.02 175.74 2kj6 s ALA 58 N 6.43 3.46 -0.81 4.11 0.00 -1.24 -4.86 121.76 128.86 2kj6 s ALA 58 Ca 0.42 0.18 -0.17 0.00 0.00 0.00 0.00 51.96 52.39 2kj6 s ALA 58 Cb -0.09 -3.72 0.15 0.00 0.00 0.00 0.00 23.12 19.46 2kj6 s ALA 58 CO 0.16 -1.57 0.90 -0.51 0.00 0.00 0.00 175.76 174.74 2kj6 s LEU 59 N 4.04 5.70 0.03 0.00 1.43 -1.26 -0.44 118.68 128.19 2kj6 s LEU 59 Ca 0.54 -2.09 -0.27 0.00 -1.03 0.00 0.00 54.13 51.28 2kj6 s LEU 59 Cb -0.17 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 43.69 2kj6 s LEU 59 CO 0.20 -0.92 0.87 -1.61 0.23 0.00 0.00 176.35 175.11 2kj6 s GLU 60 N 1.86 4.56 -0.41 1.70 2.02 -0.46 -4.90 118.70 123.07 2kj6 s GLU 60 Ca 0.22 1.23 -0.18 0.00 0.02 0.00 0.00 54.97 56.26 2kj6 s GLU 60 Cb -0.12 -3.41 0.02 0.00 0.10 0.00 0.00 34.13 30.72 2kj6 s GLU 60 CO -0.05 0.13 0.49 -1.17 0.02 0.00 0.00 175.26 174.68 2kj6 s LEU 61 N 0.40 4.69 -0.20 1.80 2.96 -1.26 -0.66 118.68 126.41 2kj6 s LEU 61 Ca 0.44 -0.49 -0.08 0.00 -0.22 0.00 0.00 54.13 53.79 2kj6 s LEU 61 Cb -0.21 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 2kj6 s LEU 61 CO 0.25 -0.60 0.07 -0.31 -1.32 0.00 0.00 176.35 174.45 2kj6 s TYR 62 N 2.32 3.21 -0.61 5.38 1.51 0.56 -0.67 117.35 129.05 2kj6 s TYR 62 Ca 0.15 -0.02 -0.25 0.00 -1.01 0.00 0.00 57.07 55.94 2kj6 s TYR 62 Cb -0.16 -2.12 0.04 0.00 -0.11 0.00 0.00 41.96 39.61 2kj6 s TYR 62 CO 0.15 0.04 1.07 0.34 -1.11 0.00 0.00 175.55 176.03 2kj6 s ASP 63 N 0.68 6.30 0.00 2.29 -1.08 0.15 -1.93 116.67 123.08 2kj6 s ASP 63 Ca 0.04 -0.37 0.00 0.00 -0.52 0.00 0.00 52.55 51.70 2kj6 s ASP 63 Cb -0.13 -2.48 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 2kj6 s ASP 63 CO 0.02 -1.44 0.00 -0.67 0.52 0.00 0.00 175.17 173.60 2kj6 n ASP 64 N 8.09 0.00 0.00 -0.34 2.03 -1.26 -3.05 116.55 122.02 2kj6 n ASP 64 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 2kj6 n ASP 64 Cb 0.48 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 2kj6 n ASP 64 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2kj6 n SER 65 N 2.39 0.00 0.20 1.67 7.64 -1.26 -4.85 113.62 119.42 2kj6 n SER 65 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 2kj6 n SER 65 Cb 0.00 0.01 0.18 0.00 -1.01 0.00 0.00 64.21 63.39 2kj6 n SER 65 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2kj6 h GLY 66 N 0.00 0.00 -7.46 0.23 0.00 -1.95 -3.42 103.07 90.46 2kj6 h GLY 66 Ca 0.00 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.61 2kj6 h GLY 66 CO 0.00 0.00 -0.45 -0.56 0.00 0.00 0.00 176.54 175.53 2kj6 s SER 67 N -5.99 5.77 -1.06 0.19 0.01 -1.17 -5.00 113.70 106.45 2kj6 s SER 67 Ca 0.07 -1.31 -0.22 0.00 1.31 0.00 0.00 55.95 55.80 2kj6 s SER 67 Cb 0.06 -2.04 0.06 0.00 0.21 0.00 0.00 66.02 64.31 2kj6 s SER 67 CO 0.67 -0.51 1.48 -0.75 0.41 0.00 0.00 173.24 174.54 2kj6 s LYS 68 N 1.51 3.65 -0.68 12.44 2.20 -1.26 0.29 119.74 137.90 2kj6 s LYS 68 Ca 0.03 -1.28 -0.24 0.00 -0.36 0.00 0.00 55.97 54.12 2kj6 s LYS 68 Cb -0.22 -5.37 0.06 0.00 -1.51 0.00 0.00 37.83 30.79 2kj6 s LYS 68 CO 0.04 -2.20 1.05 0.14 -0.36 0.00 0.00 175.35 174.02 2kj6 s VAL 69 N 4.77 4.16 -0.64 4.02 -7.23 0.15 -4.97 120.40 120.67 2kj6 s VAL 69 Ca 0.47 -0.12 -0.16 0.00 -1.81 0.00 0.00 61.98 60.35 2kj6 s VAL 69 Cb 0.00 -4.74 0.14 0.00 0.56 0.00 0.00 36.38 32.34 2kj6 s VAL 69 CO -0.07 -1.55 0.64 0.00 -0.31 0.00 0.00 175.10 173.80 2kj6 s ALA 70 N 4.52 3.68 -0.07 1.32 0.00 -1.26 -4.37 121.76 125.57 2kj6 s ALA 70 Ca 0.26 -2.65 -0.02 0.00 0.00 0.00 0.00 51.96 49.55 2kj6 s ALA 70 Cb -0.14 -3.43 0.04 0.00 0.00 0.00 0.00 23.12 19.59 2kj6 s ALA 70 CO 0.12 -2.20 0.05 0.54 0.00 0.00 0.00 175.76 174.27 2kj6 s VAL 71 N 1.60 -0.00 -0.04 0.00 0.11 -1.26 -5.01 120.40 115.79 2kj6 s VAL 71 Ca 0.10 0.25 0.06 0.00 -2.93 0.00 0.00 61.98 59.46 2kj6 s VAL 71 Cb -0.23 -0.31 0.09 0.00 -1.53 0.00 0.00 36.38 34.40 2kj6 s VAL 71 CO 0.01 0.11 0.98 -0.11 -3.33 0.00 0.00 175.10 172.75 2kj6 n LEU 72 N 5.26 1.68 0.21 2.54 7.94 -1.26 -4.68 117.00 128.69 2kj6 n LEU 72 Ca -0.05 -2.00 0.15 0.00 -1.11 0.00 0.00 56.01 53.00 2kj6 n LEU 72 Cb 0.50 -0.14 0.60 0.00 0.53 0.00 0.00 43.42 44.91 2kj6 n LEU 72 CO 0.08 0.48 0.93 0.28 -1.11 0.00 0.00 177.39 178.05 2kj6 h SER 73 N 0.00 0.00 -0.34 1.96 0.02 -2.04 -2.73 113.55 110.42 2kj6 h SER 73 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2kj6 h SER 73 Cb 0.80 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 2kj6 h SER 73 CO 0.00 0.00 0.01 0.47 -1.14 0.00 0.00 176.83 176.17 2kj6 n ASP 74 N -2.69 4.24 -0.17 3.07 9.92 -1.26 -4.56 116.55 125.09 2kj6 n ASP 74 Ca 0.01 -3.03 -0.08 0.00 -0.53 0.00 0.00 54.79 51.15 2kj6 n ASP 74 Cb 0.27 -0.58 0.01 0.00 -0.64 0.00 0.00 41.12 40.18 2kj6 n ASP 74 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 2kj6 h ASP 75 N 2.23 0.70 -0.16 -2.24 1.82 -1.82 -2.22 116.42 114.74 2kj6 h ASP 75 Ca 0.01 -0.19 0.00 0.00 -0.39 0.00 0.00 57.03 56.46 2kj6 h ASP 75 Cb 1.59 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 41.41 2kj6 h ASP 75 CO 0.30 0.71 0.00 -1.20 -1.61 0.00 0.00 179.24 177.43 2kj6 n SER 76 N -4.53 2.13 -4.42 2.28 7.64 -1.26 -2.29 113.62 113.18 2kj6 n SER 76 Ca 0.01 -2.22 -0.28 0.00 1.01 0.00 0.00 58.87 57.39 2kj6 n SER 76 Cb 0.18 -0.50 -0.12 0.00 -1.01 0.00 0.00 64.21 62.75 2kj6 n SER 76 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2kj6 s ARG 77 N -1.50 1.50 0.10 1.43 1.81 -0.83 -5.04 118.95 116.41 2kj6 s ARG 77 Ca 0.14 -1.39 -0.31 0.00 -1.72 0.00 0.00 55.73 52.46 2kj6 s ARG 77 Cb 0.11 -1.92 -0.08 0.00 -0.45 0.00 0.00 34.95 32.62 2kj6 s ARG 77 CO 0.05 0.44 1.41 -1.25 -0.68 0.00 0.00 175.30 175.26 2kj6 s PRO 78 N -2.29 4.31 0.58 3.54 0.04 -1.26 -3.84 135.00 136.07 2kj6 s PRO 78 Ca 0.17 2.08 0.27 0.00 0.04 0.00 0.00 61.00 63.56 2kj6 s PRO 78 Cb -0.09 -3.31 1.59 0.00 0.04 0.00 0.00 34.50 32.72 2kj6 s PRO 78 CO 0.08 -0.47 2.08 1.25 0.04 0.00 0.00 177.00 179.98 2kj6 h LEU 79 N 7.11 0.00 -1.09 -3.56 5.85 -1.52 0.47 115.31 122.58 2kj6 h LEU 79 Ca -0.42 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.21 2kj6 h LEU 79 Cb 1.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 2kj6 h LEU 79 CO 0.87 0.00 -0.44 1.23 -0.34 0.00 0.00 178.44 179.77 2kj6 h GLY 80 N 0.00 0.00 1.58 3.75 0.00 -1.45 -1.28 103.07 105.67 2kj6 h GLY 80 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.26 2kj6 h GLY 80 CO -0.00 0.00 -0.68 -2.75 0.00 0.00 0.00 176.54 173.10 2kj6 h PHE 81 N 0.00 0.55 -0.10 5.60 3.57 -1.18 -3.07 116.94 122.31 2kj6 h PHE 81 Ca -0.00 -0.23 -0.17 0.00 3.53 0.00 0.00 57.97 61.09 2kj6 h PHE 81 Cb 0.82 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 2kj6 h PHE 81 CO 0.00 0.97 -0.67 0.35 -2.23 0.00 0.00 178.31 176.74 2kj6 h PHE 82 N 0.29 0.52 -4.53 0.41 3.57 -1.39 -3.49 116.94 112.32 2kj6 h PHE 82 Ca -0.02 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.27 2kj6 h PHE 82 Cb 1.25 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.86 2kj6 h PHE 82 CO 0.04 0.95 -0.93 0.45 -2.23 0.00 0.00 178.31 176.59 2kj6 n SER 83 N -3.87 -4.05 -1.64 0.41 2.88 -0.51 -5.07 113.62 101.77 2kj6 n SER 83 Ca -0.04 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 2kj6 n SER 83 Cb 0.67 -4.20 0.00 0.00 -0.75 0.00 0.00 64.21 59.93 2kj6 n SER 83 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2kj6 n PRO 84 N 0.83 1.48 -1.59 -1.46 -0.04 -1.26 -5.08 135.00 127.88 2kj6 n PRO 84 Ca -0.13 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.28 2kj6 n PRO 84 Cb 0.21 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.68 2kj6 n PRO 84 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2kj6 n PHE 85 N -0.56 -2.38 -0.29 0.54 3.72 -1.26 -5.00 117.46 112.23 2kj6 n PHE 85 Ca 0.00 -0.45 0.03 0.00 -0.05 0.00 0.00 57.45 56.98 2kj6 n PHE 85 Cb 0.00 -0.11 0.17 0.00 -0.94 0.00 0.00 39.48 38.61 2kj6 n PHE 85 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2kj6 h ASP 86 N 0.06 0.62 -5.25 4.37 1.82 -1.96 -3.45 116.42 112.62 2kj6 h ASP 86 Ca -0.06 0.06 0.11 0.00 -0.39 0.00 0.00 57.03 56.75 2kj6 h ASP 86 Cb 0.26 -0.06 -0.04 0.00 0.68 0.00 0.00 39.33 40.18 2kj6 h ASP 86 CO 0.09 0.34 0.45 -0.83 -1.61 0.00 0.00 179.24 177.68 2kj6 s GLY 87 N -3.30 0.09 0.08 -0.78 0.00 -1.26 0.38 107.32 102.53 2kj6 s GLY 87 Ca -0.12 -0.35 0.02 0.00 0.00 0.00 0.00 44.72 44.27 2kj6 s GLY 87 CO 0.78 0.95 -0.08 -1.36 0.00 0.00 0.00 173.10 173.39 2kj6 s PHE 88 N -2.59 0.85 -0.45 1.90 0.08 -0.99 -4.89 117.98 111.88 2kj6 s PHE 88 Ca 0.17 -0.72 -0.15 0.00 0.12 0.00 0.00 56.93 56.35 2kj6 s PHE 88 Cb -0.03 -0.49 0.06 0.00 -0.57 0.00 0.00 43.02 41.99 2kj6 s PHE 88 CO 0.06 -0.10 0.36 1.03 -0.10 0.00 0.00 175.22 176.48 2kj6 s ARG 89 N -2.83 2.95 -0.70 0.44 1.81 -0.81 -2.25 118.95 117.56 2kj6 s ARG 89 Ca 0.03 -1.28 -0.21 0.00 -1.72 0.00 0.00 55.73 52.55 2kj6 s ARG 89 Cb -0.02 -4.07 0.09 0.00 -0.45 0.00 0.00 34.95 30.50 2kj6 s ARG 89 CO -0.02 -0.96 0.93 -0.51 -0.68 0.00 0.00 175.30 174.06 2kj6 s LEU 90 N 1.64 4.80 -0.74 2.53 1.43 -1.03 -0.32 118.68 126.99 2kj6 s LEU 90 Ca 0.04 -1.33 -0.22 0.00 -1.03 0.00 0.00 54.13 51.60 2kj6 s LEU 90 Cb -0.23 -2.38 0.08 0.00 0.03 0.00 0.00 46.19 43.69 2kj6 s LEU 90 CO 0.07 -1.28 1.03 -2.28 0.23 0.00 0.00 176.35 174.12 2kj6 s HIS 91 N 3.40 2.77 -0.38 0.29 2.46 0.17 -1.46 115.29 122.53 2kj6 s HIS 91 Ca 0.21 -0.76 -0.27 0.00 0.47 0.00 0.00 55.06 54.71 2kj6 s HIS 91 Cb -0.16 -4.31 0.02 0.00 -0.13 0.00 0.00 32.58 27.99 2kj6 s HIS 91 CO 0.05 -1.63 1.01 0.42 -2.47 0.00 0.00 174.74 172.13 2kj6 s ILE 92 N 3.79 4.48 -0.56 0.89 1.01 0.45 -1.35 121.20 129.91 2kj6 s ILE 92 Ca 0.26 1.33 -0.28 0.00 0.00 0.00 0.00 60.65 61.96 2kj6 s ILE 92 Cb -0.13 -4.42 0.01 0.00 0.01 0.00 0.00 42.46 37.93 2kj6 s ILE 92 CO 0.05 -0.64 1.50 -0.63 0.00 0.00 0.00 174.94 175.22 2kj6 s ILE 93 N 3.75 3.70 -0.23 2.92 -1.09 0.42 -2.33 121.20 128.33 2kj6 s ILE 93 Ca 0.42 0.57 -0.29 0.00 -2.23 0.00 0.00 60.65 59.13 2kj6 s ILE 93 Cb -0.11 -4.33 -0.03 0.00 -1.58 0.00 0.00 42.46 36.41 2kj6 s ILE 93 CO 0.21 -1.11 1.79 -1.81 -1.23 0.00 0.00 174.94 172.79 2kj6 s ASP 94 N 5.05 6.10 0.00 3.58 1.01 -1.26 -3.67 116.67 127.48 2kj6 s ASP 94 Ca 0.56 1.66 0.06 0.00 0.71 0.00 0.00 52.55 55.53 2kj6 s ASP 94 Cb -0.12 -2.53 0.17 0.00 1.01 0.00 0.00 42.92 41.45 2kj6 s ASP 94 CO 0.24 -1.48 1.14 -0.11 0.21 0.00 0.00 175.17 175.17 2kj6 n LEU 95 N 9.40 0.96 -4.22 1.23 -0.00 -1.26 -4.47 117.00 118.64 2kj6 n LEU 95 Ca 0.22 -0.48 -0.42 0.00 -0.00 0.00 0.00 56.01 55.33 2kj6 n LEU 95 Cb 0.45 -0.12 -0.06 0.00 -0.00 0.00 0.00 43.42 43.70 2kj6 n LEU 95 CO 0.66 0.24 0.22 -0.62 -0.00 0.00 0.00 177.39 177.89 2kj6 s ASP 96 N -1.01 6.02 0.00 1.96 2.15 -1.26 -5.07 116.67 119.46 2kj6 s ASP 96 Ca 0.12 -2.69 0.32 0.00 0.43 0.00 0.00 52.55 50.73 2kj6 s ASP 96 Cb 0.06 -2.04 1.91 0.00 -0.30 0.00 0.00 42.92 42.55 2kj6 s ASP 96 CO 0.08 -0.50 2.23 -0.81 -0.17 0.00 0.00 175.17 176.00