#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 5.50 3.40 3.03 0.00 -1.26 -4.89 105.19 110.97 2kj6 n GLY 2 Ca 0.00 -1.94 -0.44 0.00 0.00 0.00 0.00 46.02 43.64 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 3.17 0.11 1.61 2.46 -1.26 -5.05 115.29 112.73 2kj6 s HIS 3 Ca 0.59 -0.85 0.09 0.00 0.47 0.00 0.00 55.06 55.35 2kj6 s HIS 3 Cb 0.48 -3.39 -0.04 0.00 -0.13 0.00 0.00 32.58 29.50 2kj6 s HIS 3 CO 0.03 -0.92 -0.23 -3.38 -2.47 0.00 0.00 174.74 167.77 2kj6 s HIS 4 N 1.99 1.94 -0.02 3.88 0.00 -1.26 -5.14 115.29 116.68 2kj6 s HIS 4 Ca 0.08 -0.41 -0.13 0.00 -3.00 0.00 0.00 55.06 51.60 2kj6 s HIS 4 Cb -0.23 -1.06 0.02 0.00 -4.00 0.00 0.00 32.58 27.30 2kj6 s HIS 4 CO 0.08 0.24 0.28 -3.38 -1.00 0.00 0.00 174.74 170.96 2kj6 s HIS 5 N -1.12 -0.16 0.21 0.38 -0.00 -1.26 -5.17 115.29 108.17 2kj6 s HIS 5 Ca 0.09 0.25 0.09 0.00 -0.00 0.00 0.00 55.06 55.48 2kj6 s HIS 5 Cb -0.10 0.08 -0.05 0.00 -0.00 0.00 0.00 32.58 32.51 2kj6 s HIS 5 CO 0.05 -0.36 -0.17 -1.01 -0.00 0.00 0.00 174.74 173.25 2kj6 s HIS 6 N -1.22 1.85 -1.44 0.38 3.76 -1.26 -5.05 115.29 112.32 2kj6 s HIS 6 Ca -0.13 -0.50 -0.09 0.00 -0.15 0.00 0.00 55.06 54.20 2kj6 s HIS 6 Cb -0.05 -0.87 0.05 0.00 1.11 0.00 0.00 32.58 32.82 2kj6 s HIS 6 CO 0.04 0.42 2.45 0.72 -0.85 0.00 0.00 174.74 177.51 2kj6 n HIS 7 N -0.21 2.76 -2.79 1.40 -0.00 -1.26 -4.93 115.22 110.19 2kj6 n HIS 7 Ca -0.09 -2.93 -0.42 0.00 -0.00 0.00 0.00 57.72 54.28 2kj6 n HIS 7 Cb 0.59 -2.19 -0.03 0.00 -0.00 0.00 0.00 29.99 28.36 2kj6 n HIS 7 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kj6 s HIS 8 N 0.94 3.34 -0.41 4.41 5.04 -1.26 -5.00 115.29 122.36 2kj6 s HIS 8 Ca 0.55 1.30 -0.29 0.00 -1.54 0.00 0.00 55.06 55.08 2kj6 s HIS 8 Cb 0.16 -3.14 0.02 0.00 0.04 0.00 0.00 32.58 29.66 2kj6 s HIS 8 CO -0.06 -0.40 1.25 -1.12 -2.34 0.00 0.00 174.74 172.06 2kj6 s SER 9 N 1.25 6.57 0.23 9.88 0.01 -1.26 -5.02 113.70 125.37 2kj6 s SER 9 Ca 0.39 0.77 -0.04 0.00 1.31 0.00 0.00 55.95 58.38 2kj6 s SER 9 Cb -0.15 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.48 2kj6 s SER 9 CO 0.08 -1.25 0.47 -1.38 0.41 0.00 0.00 173.24 171.57 2kj6 s HIS 10 N 4.70 3.48 0.00 2.43 -0.00 -1.26 -5.10 115.29 119.53 2kj6 s HIS 10 Ca 0.54 0.53 0.00 0.00 -0.00 0.00 0.00 55.06 56.12 2kj6 s HIS 10 Cb -0.11 -2.00 0.00 0.00 -0.00 0.00 0.00 32.58 30.46 2kj6 s HIS 10 CO 0.29 0.29 0.00 0.41 -0.00 0.00 0.00 174.74 175.73 2kj6 n GLY 11 N -0.66 -0.03 2.37 -1.38 0.00 -1.26 -5.00 105.19 99.22 2kj6 n GLY 11 Ca -0.03 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 2kj6 n GLY 11 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kj6 n ASP 12 N 0.00 -0.63 -3.65 1.61 2.03 -1.26 -5.07 116.55 109.58 2kj6 n ASP 12 Ca 0.00 -2.56 0.02 0.00 0.52 0.00 0.00 54.79 52.77 2kj6 n ASP 12 Cb 0.00 -0.29 -0.06 0.00 -0.72 0.00 0.00 41.12 40.05 2kj6 n ASP 12 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kj6 s ASP 13 N -0.35 -0.11 -0.24 1.67 -1.08 -1.26 -5.17 116.67 110.14 2kj6 s ASP 13 Ca 0.33 0.18 -0.09 0.00 -0.52 0.00 0.00 52.55 52.45 2kj6 s ASP 13 Cb 0.09 1.02 0.10 0.00 -1.46 0.00 0.00 42.92 42.67 2kj6 s ASP 13 CO -0.16 -0.03 0.52 -0.44 0.52 0.00 0.00 175.17 175.58 2kj6 s SER 14 N 1.04 -0.64 0.09 -0.34 0.01 -1.26 -4.71 113.70 107.90 2kj6 s SER 14 Ca -0.08 1.23 -0.30 0.00 1.31 0.00 0.00 55.95 58.11 2kj6 s SER 14 Cb -0.02 1.65 -0.06 0.00 0.21 0.00 0.00 66.02 67.80 2kj6 s SER 14 CO -0.10 -0.23 1.07 0.68 0.41 0.00 0.00 173.24 175.07 2kj6 s VAL 15 N 2.55 4.26 -0.98 3.43 -7.23 -0.87 -4.82 120.40 116.75 2kj6 s VAL 15 Ca -0.04 1.77 -0.18 0.00 -1.81 0.00 0.00 61.98 61.72 2kj6 s VAL 15 Cb -0.11 -4.13 0.14 0.00 0.56 0.00 0.00 36.38 32.83 2kj6 s VAL 15 CO -0.15 0.22 1.19 -1.00 -0.31 0.00 0.00 175.10 175.05 2kj6 s HIS 16 N 0.42 3.17 -0.68 2.82 3.76 0.42 -2.50 115.29 122.69 2kj6 s HIS 16 Ca 0.52 -1.51 -0.24 0.00 -0.15 0.00 0.00 55.06 53.68 2kj6 s HIS 16 Cb -0.26 -4.30 0.05 0.00 1.11 0.00 0.00 32.58 29.18 2kj6 s HIS 16 CO 0.31 -1.49 1.09 -0.51 -0.85 0.00 0.00 174.74 173.29 2kj6 s LEU 17 N 2.57 3.89 -0.45 0.89 1.43 -0.77 -1.81 118.68 124.42 2kj6 s LEU 17 Ca 0.35 -0.72 -0.29 0.00 -1.03 0.00 0.00 54.13 52.44 2kj6 s LEU 17 Cb -0.04 -2.52 0.03 0.00 0.03 0.00 0.00 46.19 43.69 2kj6 s LEU 17 CO -0.08 -1.58 1.11 -1.00 0.23 0.00 0.00 176.35 175.03 2kj6 s HIS 18 N 4.70 2.87 -0.51 0.29 3.76 -0.34 -0.86 115.29 125.20 2kj6 s HIS 18 Ca 0.28 0.75 -0.26 0.00 -0.15 0.00 0.00 55.06 55.68 2kj6 s HIS 18 Cb -0.13 -4.28 0.03 0.00 1.11 0.00 0.00 32.58 29.31 2kj6 s HIS 18 CO 0.13 -1.18 1.02 0.42 -0.85 0.00 0.00 174.74 174.28 2kj6 s ILE 19 N 4.27 4.31 0.06 0.60 -1.09 -0.77 -0.83 121.20 127.75 2kj6 s ILE 19 Ca 0.46 0.74 0.09 0.00 -2.23 0.00 0.00 60.65 59.71 2kj6 s ILE 19 Cb -0.08 -4.55 -0.03 0.00 -1.58 0.00 0.00 42.46 36.21 2kj6 s ILE 19 CO 0.29 -1.05 -0.23 -0.89 -1.23 0.00 0.00 174.94 171.84 2kj6 s THR 20 N 4.18 2.45 0.49 2.92 2.01 -0.26 -4.50 115.64 122.94 2kj6 s THR 20 Ca 0.38 -1.36 0.02 0.00 0.31 0.00 0.00 61.69 61.04 2kj6 s THR 20 Cb -0.10 -2.01 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 2kj6 s THR 20 CO 0.25 0.31 0.00 -1.00 -0.69 0.00 0.00 174.62 173.49 2kj6 s HIS 21 N -0.90 1.96 -0.12 4.92 3.76 -1.22 -0.14 115.29 123.54 2kj6 s HIS 21 Ca 0.13 -0.92 0.07 0.00 -0.15 0.00 0.00 55.06 54.20 2kj6 s HIS 21 Cb -0.10 -1.63 -0.12 0.00 1.11 0.00 0.00 32.58 31.83 2kj6 s HIS 21 CO 0.04 0.26 -0.01 0.00 -0.85 0.00 0.00 174.74 174.18 2kj6 n ALA 22 N -1.22 1.71 0.03 -1.40 0.00 -0.81 -4.41 120.51 114.42 2kj6 n ALA 22 Ca -0.17 -0.70 -0.05 0.00 0.00 0.00 0.00 53.44 52.52 2kj6 n ALA 22 Cb 0.67 0.06 0.15 0.00 0.00 0.00 0.00 19.45 20.33 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 0.00 0.45 -3.59 0.00 -0.00 -1.83 -3.36 115.58 107.25 2kj6 h ASN 23 Ca -0.31 -0.20 -0.68 0.00 -0.00 0.00 0.00 56.30 55.11 2kj6 h ASN 23 Cb 1.63 -0.13 -0.35 0.00 -0.00 0.00 0.00 38.32 39.47 2kj6 h ASN 23 CO -0.00 0.81 -0.62 -0.76 -0.00 0.00 0.00 177.43 176.86 2kj6 s LEU 24 N -8.41 4.87 0.48 0.34 1.02 -1.26 -4.98 118.68 110.74 2kj6 s LEU 24 Ca -0.06 -1.92 0.19 0.00 0.02 0.00 0.00 54.13 52.36 2kj6 s LEU 24 Cb 0.13 -1.76 1.21 0.00 0.02 0.00 0.00 46.19 45.78 2kj6 s LEU 24 CO 0.80 -0.45 1.99 0.07 0.02 0.00 0.00 176.35 178.79 2kj6 h LYS 25 N 7.94 0.20 -2.81 1.70 2.10 -1.77 -3.24 116.57 120.68 2kj6 h LYS 25 Ca -0.12 -0.01 -0.53 0.00 -2.00 0.00 0.00 60.65 57.98 2kj6 h LYS 25 Cb 1.04 -0.04 -0.40 0.00 -0.90 0.00 0.00 32.23 31.93 2kj6 h LYS 25 CO 0.62 0.13 -0.78 0.45 -2.00 0.00 0.00 179.45 177.88 2kj6 s SER 26 N -6.27 3.55 -0.25 7.07 0.15 -1.26 -4.79 113.70 111.90 2kj6 s SER 26 Ca -0.06 -1.31 -0.11 0.00 0.70 0.00 0.00 55.95 55.16 2kj6 s SER 26 Cb 0.20 -0.37 -0.05 0.00 -1.71 0.00 0.00 66.02 64.09 2kj6 s SER 26 CO 0.74 -0.44 0.20 0.12 1.20 0.00 0.00 173.24 175.06 2kj6 s PHE 27 N 2.07 3.28 -0.96 3.44 5.36 -1.25 -5.02 117.98 124.90 2kj6 s PHE 27 Ca 0.09 0.23 -0.23 0.00 -0.96 0.00 0.00 56.93 56.05 2kj6 s PHE 27 Cb -0.16 -2.35 0.05 0.00 -0.34 0.00 0.00 43.02 40.22 2kj6 s PHE 27 CO -0.36 -0.04 1.40 -1.54 -1.46 0.00 0.00 175.22 173.21 2kj6 s SER 28 N 1.35 6.44 -0.30 6.13 1.04 -1.26 -4.78 113.70 122.32 2kj6 s SER 28 Ca 0.09 -1.30 -0.05 0.00 0.48 0.00 0.00 55.95 55.17 2kj6 s SER 28 Cb -0.15 -2.56 0.19 0.00 0.10 0.00 0.00 66.02 63.60 2kj6 s SER 28 CO 0.07 -1.54 0.74 0.00 0.98 0.00 0.00 173.24 173.49 2kj6 s ALA 29 N 4.98 -2.64 -0.42 5.32 0.00 -1.26 -5.11 121.76 122.63 2kj6 s ALA 29 Ca 0.43 1.70 -0.06 0.00 0.00 0.00 0.00 51.96 54.03 2kj6 s ALA 29 Cb -0.02 -2.29 0.10 0.00 0.00 0.00 0.00 23.12 20.91 2kj6 s ALA 29 CO -0.05 -1.39 0.24 0.34 0.00 0.00 0.00 175.76 174.90 2kj6 s ASP 30 N 2.89 5.45 -0.91 0.00 2.15 -1.26 -1.84 116.67 123.14 2kj6 s ASP 30 Ca 0.14 -1.80 -0.20 0.00 0.43 0.00 0.00 52.55 51.12 2kj6 s ASP 30 Cb -0.13 -1.91 0.11 0.00 -0.30 0.00 0.00 42.92 40.69 2kj6 s ASP 30 CO -0.18 -0.56 1.15 0.00 -0.17 0.00 0.00 175.17 175.41 2kj6 s ALA 31 N 1.28 3.25 -0.45 3.66 0.00 -0.04 -4.89 121.76 124.57 2kj6 s ALA 31 Ca 0.05 -2.59 -0.20 0.00 0.00 0.00 0.00 51.96 49.22 2kj6 s ALA 31 Cb -0.24 -4.09 0.03 0.00 0.00 0.00 0.00 23.12 18.82 2kj6 s ALA 31 CO -0.01 -3.05 0.60 -0.98 0.00 0.00 0.00 175.76 172.32 2kj6 s ARG 32 N 3.15 3.20 0.55 0.00 1.70 -1.25 -1.84 118.95 124.47 2kj6 s ARG 32 Ca 0.33 -0.58 0.08 0.00 -0.47 0.00 0.00 55.73 55.09 2kj6 s ARG 32 Cb -0.05 -3.99 0.06 0.00 -0.57 0.00 0.00 34.95 30.40 2kj6 s ARG 32 CO -0.07 -1.03 0.61 -0.06 -1.08 0.00 0.00 175.30 173.67 2kj6 s PHE 33 N 2.63 1.56 0.30 5.89 0.08 -1.04 -4.77 117.98 122.63 2kj6 s PHE 33 Ca 0.18 -0.76 -0.22 0.00 0.12 0.00 0.00 56.93 56.26 2kj6 s PHE 33 Cb -0.16 -2.09 -0.09 0.00 -0.57 0.00 0.00 43.02 40.11 2kj6 s PHE 33 CO 0.16 -0.83 0.84 -1.54 -0.10 0.00 0.00 175.22 173.75 2kj6 s SER 34 N -4.48 7.12 0.64 1.36 1.04 -1.26 -2.04 113.70 116.07 2kj6 s SER 34 Ca 0.50 1.60 -0.18 0.00 0.48 0.00 0.00 55.95 58.34 2kj6 s SER 34 Cb -0.04 -2.49 -0.02 0.00 0.10 0.00 0.00 66.02 63.57 2kj6 s SER 34 CO 0.31 -0.08 1.13 -2.65 0.98 0.00 0.00 173.24 172.93 2kj6 n PRO 35 N 0.36 0.95 -1.59 4.02 -0.02 -1.26 -3.17 135.00 134.28 2kj6 n PRO 35 Ca 0.01 0.38 -0.16 0.00 -2.02 0.00 0.00 63.50 61.71 2kj6 n PRO 35 Cb 0.51 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 2kj6 n PRO 35 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2kj6 n GLN 36 N -1.58 -1.11 -2.21 -0.52 6.02 -1.26 -4.80 117.38 111.92 2kj6 n GLN 36 Ca 0.15 1.00 -0.39 0.00 -0.01 0.00 0.00 57.00 57.75 2kj6 n GLN 36 Cb 0.48 -5.19 -0.02 0.00 1.02 0.00 0.00 30.24 26.53 2kj6 n GLN 36 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 2kj6 s MET 37 N -3.56 4.15 -0.12 -1.09 1.75 -1.19 -4.46 119.30 114.77 2kj6 s MET 37 Ca 0.00 2.00 -0.30 0.00 -1.25 0.00 0.00 55.69 56.15 2kj6 s MET 37 Cb 0.00 -2.83 -0.02 0.00 2.84 0.00 0.00 34.83 34.82 2kj6 s MET 37 CO 0.00 -0.29 1.15 0.45 -0.65 0.00 0.00 175.02 175.68 2kj6 s SER 38 N -0.86 7.07 0.33 1.11 0.15 -1.26 -1.38 113.70 118.85 2kj6 s SER 38 Ca 0.54 1.66 0.14 0.00 0.70 0.00 0.00 55.95 58.99 2kj6 s SER 38 Cb -0.35 -2.55 0.56 0.00 -1.71 0.00 0.00 66.02 61.97 2kj6 s SER 38 CO 0.45 -0.61 1.71 0.58 1.20 0.00 0.00 173.24 176.56 2kj6 h VAL 39 N 5.21 1.22 -0.44 4.45 2.07 -1.73 -2.48 116.25 124.56 2kj6 h VAL 39 Ca -0.29 -1.72 -0.03 0.00 0.82 0.00 0.00 66.70 65.47 2kj6 h VAL 39 Cb 1.13 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 2kj6 h VAL 39 CO 0.91 0.47 0.15 -0.08 0.02 0.00 0.00 177.57 179.04 2kj6 h GLU 40 N 0.00 0.64 -0.54 1.57 4.81 -1.73 -1.45 114.58 117.88 2kj6 h GLU 40 Ca -0.00 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.05 2kj6 h GLU 40 Cb 0.92 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 2kj6 h GLU 40 CO 0.06 0.55 0.02 0.00 -0.73 0.00 0.00 179.01 178.91 2kj6 h ALA 41 N 1.53 1.01 0.01 2.92 0.00 -1.77 0.02 119.26 122.99 2kj6 h ALA 41 Ca 0.15 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 2kj6 h ALA 41 Cb 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2kj6 h ALA 41 CO -0.01 0.61 -0.99 -0.24 0.00 0.00 0.00 179.25 178.63 2kj6 h VAL 42 N 0.85 1.67 -0.43 0.00 3.04 -1.49 -2.85 116.25 117.04 2kj6 h VAL 42 Ca 0.16 -3.26 -0.09 0.00 -1.01 0.00 0.00 66.70 62.50 2kj6 h VAL 42 Cb 0.48 2.79 -0.02 0.00 -2.01 0.00 0.00 31.29 32.53 2kj6 h VAL 42 CO 0.02 0.93 -0.10 0.11 -1.01 0.00 0.00 177.57 177.53 2kj6 h LYS 43 N 0.01 0.77 -0.70 4.17 1.57 -0.96 -0.86 116.57 120.58 2kj6 h LYS 43 Ca -0.02 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 2kj6 h LYS 43 Cb 1.72 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.93 2kj6 h LYS 43 CO 0.13 0.85 0.40 1.49 -0.57 0.00 0.00 179.45 181.75 2kj6 h GLU 44 N 0.70 0.96 -0.17 3.15 4.81 -0.95 0.53 114.58 123.61 2kj6 h GLU 44 Ca 0.12 -0.09 -0.15 0.00 -0.13 0.00 0.00 59.36 59.11 2kj6 h GLU 44 Cb 0.57 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 2kj6 h GLU 44 CO 0.04 0.69 -0.54 -0.22 -0.73 0.00 0.00 179.01 178.25 2kj6 h LYS 45 N 0.97 0.48 -0.62 1.92 3.64 -1.15 -0.17 116.57 121.64 2kj6 h LYS 45 Ca 0.25 -0.30 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 2kj6 h LYS 45 Cb -0.01 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2kj6 h LYS 45 CO -0.04 0.89 0.05 -0.07 -2.27 0.00 0.00 179.45 178.01 2kj6 h LEU 46 N 0.37 1.01 -1.23 5.20 3.38 -0.66 -2.47 115.31 120.92 2kj6 h LEU 46 Ca 0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 2kj6 h LEU 46 Cb 1.06 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 2kj6 h LEU 46 CO 0.10 1.03 0.22 -0.25 0.09 0.00 0.00 178.44 179.62 2kj6 h TRP 47 N 0.97 0.75 -0.01 1.13 7.01 -0.48 -1.97 115.95 123.36 2kj6 h TRP 47 Ca 0.18 -0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.15 2kj6 h TRP 47 Cb 0.48 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.31 2kj6 h TRP 47 CO 0.03 0.58 0.00 1.63 -2.79 0.00 0.00 178.44 177.89 2kj6 n LYS 48 N -4.35 1.02 -0.12 2.65 5.02 -0.11 -0.59 118.16 121.68 2kj6 n LYS 48 Ca 0.04 -0.02 -0.10 0.00 -2.02 0.00 0.00 58.31 56.22 2kj6 n LYS 48 Cb 0.15 -1.11 -0.02 0.00 -0.02 0.00 0.00 35.03 34.04 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 0.03 0.55 0.00 1.97 1.63 -1.22 -3.38 116.57 116.14 2kj6 h LYS 49 Ca 0.00 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 2kj6 h LYS 49 Cb 0.11 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 2kj6 h LYS 49 CO 0.00 0.57 0.00 0.00 -3.45 0.00 0.00 179.45 176.57 2kj6 n GLY 51 N 0.00 0.40 3.01 0.00 0.00 0.25 -5.05 105.19 103.80 2kj6 n GLY 51 Ca 0.00 -0.39 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.01 0.48 0.60 2.61 2.01 -1.13 -5.02 115.64 112.17 2kj6 s THR 52 Ca 0.17 -0.64 -0.20 0.00 0.31 0.00 0.00 61.69 61.34 2kj6 s THR 52 Cb -0.08 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.92 2kj6 s THR 52 CO 0.22 -0.12 1.21 -1.20 -0.69 0.00 0.00 174.62 174.03 2kj6 n SER 53 N 2.23 1.86 -4.57 3.53 7.64 -1.26 -4.73 113.62 118.32 2kj6 n SER 53 Ca -0.18 0.88 -0.43 0.00 1.01 0.00 0.00 58.87 60.15 2kj6 n SER 53 Cb 0.56 -1.51 -0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2kj6 n SER 53 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2kj6 s VAL 54 N -1.39 4.14 -0.07 0.44 1.01 -1.26 -4.48 120.40 118.79 2kj6 s VAL 54 Ca 0.77 -1.81 0.01 0.00 0.00 0.00 0.00 61.98 60.95 2kj6 s VAL 54 Cb -0.41 -5.17 -0.05 0.00 0.00 0.00 0.00 36.38 30.75 2kj6 s VAL 54 CO 0.46 -2.00 -0.05 -3.20 0.00 0.00 0.00 175.10 170.31 2kj6 n ASN 55 N 8.33 3.48 -0.43 3.32 5.15 -1.26 -4.59 115.26 129.26 2kj6 n ASN 55 Ca 0.46 -0.03 0.08 0.00 -0.60 0.00 0.00 54.58 54.49 2kj6 n ASN 55 Cb 0.46 0.04 0.31 0.00 -0.53 0.00 0.00 39.78 40.07 2kj6 n ASN 55 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2kj6 n SER 56 N -2.61 1.27 -3.91 1.20 3.41 -1.26 -4.78 113.62 106.95 2kj6 n SER 56 Ca -0.12 -1.76 -0.19 0.00 -0.26 0.00 0.00 58.87 56.54 2kj6 n SER 56 Cb 0.64 -0.11 -0.16 0.00 -0.26 0.00 0.00 64.21 64.32 2kj6 n SER 56 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2kj6 s MET 57 N -1.78 0.77 -0.12 4.33 -2.45 -1.26 -3.70 119.30 115.08 2kj6 s MET 57 Ca 0.26 -0.13 0.01 0.00 -1.25 0.00 0.00 55.69 54.58 2kj6 s MET 57 Cb 0.14 -0.77 -0.01 0.00 1.25 0.00 0.00 34.83 35.43 2kj6 s MET 57 CO 0.20 -0.04 -0.15 0.00 1.05 0.00 0.00 175.02 176.09 2kj6 s ALA 58 N 0.72 2.56 -0.52 4.11 0.00 -1.20 -4.93 121.76 122.50 2kj6 s ALA 58 Ca -0.09 -0.91 -0.15 0.00 0.00 0.00 0.00 51.96 50.81 2kj6 s ALA 58 Cb -0.13 -1.14 0.12 0.00 0.00 0.00 0.00 23.12 21.98 2kj6 s ALA 58 CO 0.00 0.28 0.46 -0.51 0.00 0.00 0.00 175.76 175.99 2kj6 s LEU 59 N 0.27 6.02 -0.42 0.00 1.43 -1.26 -0.05 118.68 124.67 2kj6 s LEU 59 Ca -0.10 -1.73 -0.23 0.00 -1.03 0.00 0.00 54.13 51.03 2kj6 s LEU 59 Cb -0.16 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 43.90 2kj6 s LEU 59 CO 0.06 -0.80 0.80 -1.61 0.23 0.00 0.00 176.35 175.03 2kj6 s GLU 60 N 1.57 3.57 -0.38 1.70 0.41 -0.06 -4.91 118.70 120.60 2kj6 s GLU 60 Ca 0.03 0.11 -0.24 0.00 -0.41 0.00 0.00 54.97 54.46 2kj6 s GLU 60 Cb -0.29 -3.88 0.01 0.00 -1.78 0.00 0.00 34.13 28.20 2kj6 s GLU 60 CO 0.03 -1.02 0.83 -1.17 -0.49 0.00 0.00 175.26 173.44 2kj6 s LEU 61 N 3.28 4.10 -0.08 1.80 2.96 -1.26 -0.52 118.68 128.95 2kj6 s LEU 61 Ca 0.31 0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.60 2kj6 s LEU 61 Cb -0.12 -3.09 -0.02 0.00 0.50 0.00 0.00 46.19 43.46 2kj6 s LEU 61 CO 0.21 -0.80 -0.14 -0.31 -1.32 0.00 0.00 176.35 173.98 2kj6 s TYR 62 N 3.25 2.73 -0.14 5.38 2.02 -0.12 -1.23 117.35 129.23 2kj6 s TYR 62 Ca 0.33 -0.38 -0.27 0.00 -0.37 0.00 0.00 57.07 56.39 2kj6 s TYR 62 Cb -0.13 -1.71 -0.01 0.00 -0.40 0.00 0.00 41.96 39.71 2kj6 s TYR 62 CO 0.18 0.01 0.91 0.34 -1.57 0.00 0.00 175.55 175.42 2kj6 s ASP 63 N -0.29 7.08 0.00 2.29 2.15 0.11 -0.99 116.67 127.02 2kj6 s ASP 63 Ca 0.02 1.33 0.00 0.00 0.43 0.00 0.00 52.55 54.33 2kj6 s ASP 63 Cb -0.13 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 2kj6 s ASP 63 CO 0.03 -0.42 0.00 -0.67 -0.17 0.00 0.00 175.17 173.93 2kj6 n ASP 64 N 5.16 0.00 0.04 -0.34 2.03 -1.26 -2.87 116.55 119.31 2kj6 n ASP 64 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 2kj6 n ASP 64 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 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 2.40 -0.68 -0.02 1.67 7.64 -1.26 -4.69 113.62 118.68 2kj6 n SER 65 Ca 0.00 0.15 -0.00 0.00 1.01 0.00 0.00 58.87 60.03 2kj6 n SER 65 Cb 0.00 1.02 -0.04 0.00 -1.01 0.00 0.00 64.21 64.17 2kj6 n SER 65 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kj6 n GLY 66 N -1.46 -0.27 3.64 0.23 0.00 -1.22 -4.83 105.19 101.28 2kj6 n GLY 66 Ca 0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 2kj6 n GLY 66 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kj6 s SER 67 N -3.26 6.09 -0.54 1.61 0.01 -1.14 -4.81 113.70 111.66 2kj6 s SER 67 Ca -0.02 2.33 -0.28 0.00 1.31 0.00 0.00 55.95 59.29 2kj6 s SER 67 Cb 0.03 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.75 2kj6 s SER 67 CO 0.24 -1.39 1.38 -0.75 0.41 0.00 0.00 173.24 173.13 2kj6 s LYS 68 N 5.15 3.38 -0.22 12.44 2.20 -1.26 0.07 119.74 141.49 2kj6 s LYS 68 Ca 0.92 0.50 0.12 0.00 -0.36 0.00 0.00 55.97 57.16 2kj6 s LYS 68 Cb -0.38 -4.09 0.45 0.00 -1.51 0.00 0.00 37.83 32.29 2kj6 s LYS 68 CO 0.38 -1.84 1.19 1.33 -0.36 0.00 0.00 175.35 176.06 2kj6 n VAL 69 N 6.87 1.98 -1.93 4.02 0.24 -0.37 -4.95 118.33 124.20 2kj6 n VAL 69 Ca 0.13 -3.33 -0.42 0.00 -2.04 0.00 0.00 64.34 58.68 2kj6 n VAL 69 Cb 0.49 -0.28 -0.03 0.00 -1.47 0.00 0.00 33.84 32.56 2kj6 n VAL 69 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kj6 s ALA 70 N -3.07 2.74 0.03 2.33 0.00 -1.17 -4.87 121.76 117.75 2kj6 s ALA 70 Ca 0.41 0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.68 2kj6 s ALA 70 Cb 0.38 -4.06 -0.02 0.00 0.00 0.00 0.00 23.12 19.42 2kj6 s ALA 70 CO -0.04 -2.84 -0.15 0.54 0.00 0.00 0.00 175.76 173.27 2kj6 s VAL 71 N 7.51 1.19 -0.35 0.00 0.11 -1.26 -5.03 120.40 122.57 2kj6 s VAL 71 Ca 0.83 -0.99 0.01 0.00 -2.93 0.00 0.00 61.98 58.90 2kj6 s VAL 71 Cb -0.23 -1.06 0.09 0.00 -1.53 0.00 0.00 36.38 33.65 2kj6 s VAL 71 CO 0.32 0.06 0.07 -0.22 -3.33 0.00 0.00 175.10 172.01 2kj6 s LEU 72 N -1.06 4.66 0.00 2.54 2.96 -1.26 -4.75 118.68 121.76 2kj6 s LEU 72 Ca 0.03 -1.94 0.00 0.00 -0.22 0.00 0.00 54.13 52.00 2kj6 s LEU 72 Cb -0.08 -1.69 0.00 0.00 0.50 0.00 0.00 46.19 44.93 2kj6 s LEU 72 CO 0.01 -0.39 0.46 -0.24 -1.32 0.00 0.00 176.35 174.87 2kj6 n SER 73 N 4.41 -0.17 -0.00 3.68 2.88 -1.26 -4.97 113.62 118.19 2kj6 n SER 73 Ca -0.02 -0.93 0.03 0.00 -1.33 0.00 0.00 58.87 56.62 2kj6 n SER 73 Cb 0.42 0.05 -0.04 0.00 -0.75 0.00 0.00 64.21 63.89 2kj6 n SER 73 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2kj6 n ASP 74 N 0.00 0.73 -0.18 -3.46 5.75 -1.26 -4.36 116.55 113.77 2kj6 n ASP 74 Ca -0.05 -0.56 -0.09 0.00 -0.01 0.00 0.00 54.79 54.08 2kj6 n ASP 74 Cb 0.43 1.04 0.01 0.00 -1.03 0.00 0.00 41.12 41.57 2kj6 n ASP 74 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2kj6 h ASP 75 N 0.00 0.78 -0.74 -1.12 3.32 -1.93 -2.97 116.42 113.77 2kj6 h ASP 75 Ca 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2kj6 h ASP 75 Cb 0.17 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2kj6 h ASP 75 CO 0.00 0.82 0.00 -1.20 -1.72 0.00 0.00 179.24 177.14 2kj6 n SER 76 N -4.43 3.97 -4.00 6.45 7.64 -1.26 -3.87 113.62 118.11 2kj6 n SER 76 Ca 0.02 -2.00 -0.19 0.00 1.01 0.00 0.00 58.87 57.71 2kj6 n SER 76 Cb 0.23 -0.49 -0.15 0.00 -1.01 0.00 0.00 64.21 62.79 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 -1.02 0.76 0.07 1.43 1.81 -1.12 -5.12 118.95 115.76 2kj6 s ARG 77 Ca 0.49 -0.29 -0.31 0.00 -1.72 0.00 0.00 55.73 53.91 2kj6 s ARG 77 Cb 0.26 -0.73 -0.08 0.00 -0.45 0.00 0.00 34.95 33.95 2kj6 s ARG 77 CO 0.34 0.15 1.64 -2.14 -0.68 0.00 0.00 175.30 174.61 2kj6 s PRO 78 N -0.04 4.20 0.49 3.54 0.02 -1.26 -4.18 135.00 137.77 2kj6 s PRO 78 Ca 0.01 2.32 0.18 0.00 0.02 0.00 0.00 61.00 63.52 2kj6 s PRO 78 Cb -0.05 -3.59 1.21 0.00 0.02 0.00 0.00 34.50 32.08 2kj6 s PRO 78 CO -0.00 -0.73 2.03 1.25 -0.33 0.00 0.00 177.00 179.22 2kj6 h LEU 79 N 8.54 0.16 -0.73 -5.54 5.85 -1.44 -0.43 115.31 121.71 2kj6 h LEU 79 Ca -0.42 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 2kj6 h LEU 79 Cb 1.20 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 2kj6 h LEU 79 CO 0.93 0.10 -0.02 1.23 -0.34 0.00 0.00 178.44 180.34 2kj6 h GLY 80 N 0.18 0.00 1.99 3.75 0.00 -1.82 -3.09 103.07 104.07 2kj6 h GLY 80 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.44 2kj6 h GLY 80 CO -0.03 0.00 -0.40 -2.75 0.00 0.00 0.00 176.54 173.36 2kj6 h PHE 81 N 0.00 0.01 0.00 5.60 3.57 -1.43 -1.03 116.94 123.67 2kj6 h PHE 81 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2kj6 h PHE 81 Cb 0.77 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.51 2kj6 h PHE 81 CO 0.00 0.41 0.00 0.35 -2.23 0.00 0.00 178.31 176.84 2kj6 h PHE 82 N 0.01 0.00 -4.35 0.41 3.57 -1.64 -3.49 116.94 111.46 2kj6 h PHE 82 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2kj6 h PHE 82 Cb 0.72 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.41 2kj6 h PHE 82 CO 0.00 0.00 -0.88 0.45 -2.23 0.00 0.00 178.31 175.65 2kj6 n SER 83 N -2.80 -3.20 -4.79 0.41 2.88 -0.39 -5.01 113.62 100.72 2kj6 n SER 83 Ca 0.03 0.92 -0.34 0.00 -1.33 0.00 0.00 58.87 58.15 2kj6 n SER 83 Cb 0.38 -3.84 -0.01 0.00 -0.75 0.00 0.00 64.21 59.99 2kj6 n SER 83 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 2kj6 s PRO 84 N -0.92 3.50 0.03 -1.46 0.02 -1.26 -5.00 135.00 129.90 2kj6 s PRO 84 Ca -0.11 1.38 -0.28 0.00 0.02 0.00 0.00 61.00 62.01 2kj6 s PRO 84 Cb 0.01 -2.05 -0.16 0.00 0.02 0.00 0.00 34.50 32.32 2kj6 s PRO 84 CO 0.52 -0.69 1.23 0.35 -0.33 0.00 0.00 177.00 178.08 2kj6 h PHE 85 N 1.07 -0.95 0.00 6.54 3.57 -1.99 -3.48 116.94 121.70 2kj6 h PHE 85 Ca -0.49 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 60.99 2kj6 h PHE 85 Cb 1.23 0.31 0.00 0.00 2.79 0.00 0.00 35.95 40.28 2kj6 h PHE 85 CO 0.56 -0.59 0.00 -3.47 -2.23 0.00 0.00 178.31 172.58 2kj6 n ASP 86 N -5.24 -2.08 -3.46 0.41 2.03 -1.26 -5.11 116.55 101.83 2kj6 n ASP 86 Ca -0.13 0.55 -0.14 0.00 0.52 0.00 0.00 54.79 55.60 2kj6 n ASP 86 Cb 0.40 2.14 -0.03 0.00 -0.72 0.00 0.00 41.12 42.91 2kj6 n ASP 86 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2kj6 s GLY 87 N -2.00 -0.59 0.24 0.27 0.00 -1.26 -0.44 107.32 103.55 2kj6 s GLY 87 Ca 0.00 0.82 0.05 0.00 0.00 0.00 0.00 44.72 45.60 2kj6 s GLY 87 CO 0.00 0.44 -0.05 -1.36 0.00 0.00 0.00 173.10 172.13 2kj6 s PHE 88 N -2.84 1.71 -0.41 1.90 0.08 -0.75 -4.54 117.98 113.13 2kj6 s PHE 88 Ca -0.03 -0.78 -0.17 0.00 0.12 0.00 0.00 56.93 56.07 2kj6 s PHE 88 Cb -0.01 -0.96 0.01 0.00 -0.57 0.00 0.00 43.02 41.50 2kj6 s PHE 88 CO -0.05 0.14 0.45 1.03 -0.10 0.00 0.00 175.22 176.69 2kj6 s ARG 89 N -3.77 3.22 -0.86 0.44 1.81 -0.16 -1.20 118.95 118.42 2kj6 s ARG 89 Ca 0.27 -0.63 -0.19 0.00 -1.72 0.00 0.00 55.73 53.46 2kj6 s ARG 89 Cb 0.04 -3.93 0.13 0.00 -0.45 0.00 0.00 34.95 30.74 2kj6 s ARG 89 CO 0.09 -0.80 1.05 -0.51 -0.68 0.00 0.00 175.30 174.44 2kj6 s LEU 90 N 2.20 5.12 -0.71 2.53 1.43 -0.01 -0.95 118.68 128.30 2kj6 s LEU 90 Ca 0.13 -1.90 -0.22 0.00 -1.03 0.00 0.00 54.13 51.12 2kj6 s LEU 90 Cb -0.17 -2.38 0.08 0.00 0.03 0.00 0.00 46.19 43.76 2kj6 s LEU 90 CO 0.14 -1.08 0.99 -2.28 0.23 0.00 0.00 176.35 174.34 2kj6 s HIS 91 N 2.68 2.76 -0.38 0.29 2.46 0.32 -1.10 115.29 122.34 2kj6 s HIS 91 Ca 0.28 -0.72 -0.29 0.00 0.47 0.00 0.00 55.06 54.80 2kj6 s HIS 91 Cb -0.08 -4.28 0.01 0.00 -0.13 0.00 0.00 32.58 28.09 2kj6 s HIS 91 CO -0.06 -1.61 1.29 0.42 -2.47 0.00 0.00 174.74 172.31 2kj6 s ILE 92 N 3.77 4.10 -0.68 0.89 1.01 0.79 -0.88 121.20 130.21 2kj6 s ILE 92 Ca 0.24 1.18 -0.27 0.00 0.00 0.00 0.00 60.65 61.80 2kj6 s ILE 92 Cb -0.15 -4.29 0.01 0.00 0.01 0.00 0.00 42.46 38.04 2kj6 s ILE 92 CO 0.06 -0.69 1.48 -0.63 0.00 0.00 0.00 174.94 175.17 2kj6 s ILE 93 N 4.70 3.60 -0.91 2.92 -1.09 0.93 -1.93 121.20 129.42 2kj6 s ILE 93 Ca 0.55 0.36 -0.23 0.00 -2.23 0.00 0.00 60.65 59.11 2kj6 s ILE 93 Cb -0.13 -4.55 0.07 0.00 -1.58 0.00 0.00 42.46 36.26 2kj6 s ILE 93 CO 0.28 -1.49 1.30 -1.81 -1.23 0.00 0.00 174.94 171.99 2kj6 s ASP 94 N 5.24 6.44 -1.42 3.58 1.01 -1.26 -3.24 116.67 127.02 2kj6 s ASP 94 Ca 0.47 -1.37 -0.15 0.00 0.71 0.00 0.00 52.55 52.21 2kj6 s ASP 94 Cb -0.10 -2.51 0.04 0.00 1.01 0.00 0.00 42.92 41.36 2kj6 s ASP 94 CO 0.18 -1.45 2.13 -0.11 0.21 0.00 0.00 175.17 176.12 2kj6 n LEU 95 N 8.30 6.44 -4.33 1.23 -0.00 -1.24 -4.62 117.00 122.77 2kj6 n LEU 95 Ca 0.22 -4.08 -0.35 0.00 -0.00 0.00 0.00 56.01 51.80 2kj6 n LEU 95 Cb 0.50 -1.67 -0.14 0.00 -0.00 0.00 0.00 43.42 42.11 2kj6 n LEU 95 CO 0.63 0.89 -0.36 -0.62 -0.00 0.00 0.00 177.39 177.93 2kj6 s ASP 96 N 3.44 4.46 0.00 1.96 2.15 -1.26 -4.96 116.67 122.46 2kj6 s ASP 96 Ca 0.49 -0.38 0.24 0.00 0.43 0.00 0.00 52.55 53.33 2kj6 s ASP 96 Cb 0.12 -1.77 1.45 0.00 -0.30 0.00 0.00 42.92 42.42 2kj6 s ASP 96 CO -0.05 -0.03 1.81 -0.81 -0.17 0.00 0.00 175.17 175.92