#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 2.46 3.12 3.03 0.00 -1.26 -4.95 105.19 107.59 2kj6 n GLY 2 Ca 0.00 -1.81 -0.03 0.00 0.00 0.00 0.00 46.02 44.18 2kj6 n GLY 2 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kj6 n HIS 3 N 0.00 -2.92 -2.23 1.61 8.25 -1.26 -4.97 115.22 113.71 2kj6 n HIS 3 Ca 0.00 1.12 0.03 0.00 -0.26 0.00 0.00 57.72 58.62 2kj6 n HIS 3 Cb 0.00 -3.98 0.04 0.00 1.12 0.00 0.00 29.99 27.17 2kj6 n HIS 3 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kj6 n HIS 4 N -1.77 0.00 -2.50 4.41 -0.00 -1.26 -5.01 115.22 109.09 2kj6 n HIS 4 Ca -0.03 -0.49 -0.43 0.00 -0.00 0.00 0.00 57.72 56.77 2kj6 n HIS 4 Cb 0.52 -0.13 0.00 0.00 -0.00 0.00 0.00 29.99 30.37 2kj6 n HIS 4 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kj6 n HIS 5 N 0.13 4.55 -4.21 4.41 -0.00 -1.26 -4.89 115.22 113.95 2kj6 n HIS 5 Ca 0.06 -2.87 -0.16 0.00 0.46 0.00 0.00 57.72 55.21 2kj6 n HIS 5 Cb 0.97 -2.62 -0.13 0.00 -0.12 0.00 0.00 29.99 28.09 2kj6 n HIS 5 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2kj6 s HIS 6 N 4.03 0.80 -0.26 1.57 0.00 -1.26 -5.13 115.29 115.05 2kj6 s HIS 6 Ca 0.53 -0.31 -0.01 0.00 -3.00 0.00 0.00 55.06 52.27 2kj6 s HIS 6 Cb 0.05 -0.49 0.13 0.00 -4.00 0.00 0.00 32.58 28.28 2kj6 s HIS 6 CO 0.06 -0.02 0.34 -1.58 -1.00 0.00 0.00 174.74 172.54 2kj6 s HIS 7 N -0.76 -0.69 -0.15 0.38 5.04 -1.26 -5.12 115.29 112.73 2kj6 s HIS 7 Ca -0.02 0.41 0.00 0.00 -1.54 0.00 0.00 55.06 53.92 2kj6 s HIS 7 Cb -0.07 -0.18 0.03 0.00 0.04 0.00 0.00 32.58 32.40 2kj6 s HIS 7 CO 0.00 -0.80 -0.12 -3.38 -2.34 0.00 0.00 174.74 168.11 2kj6 s HIS 8 N 2.47 2.04 -0.14 3.88 -3.43 -1.26 -5.11 115.29 113.74 2kj6 s HIS 8 Ca 0.10 -1.16 -0.07 0.00 -0.80 0.00 0.00 55.06 53.14 2kj6 s HIS 8 Cb -0.15 -1.51 0.06 0.00 -1.43 0.00 0.00 32.58 29.55 2kj6 s HIS 8 CO -0.22 -0.64 0.31 0.45 -2.00 0.00 0.00 174.74 172.64 2kj6 s SER 9 N 1.53 -0.25 -1.35 7.38 0.15 -1.26 -5.07 113.70 114.83 2kj6 s SER 9 Ca 0.04 0.68 -0.16 0.00 0.70 0.00 0.00 55.95 57.21 2kj6 s SER 9 Cb -0.13 0.63 0.06 0.00 -1.71 0.00 0.00 66.02 64.88 2kj6 s SER 9 CO -0.10 -0.19 1.91 1.57 1.20 0.00 0.00 173.24 177.63 2kj6 n HIS 10 N 4.50 4.23 0.00 3.44 -0.00 -1.26 -4.74 115.22 121.39 2kj6 n HIS 10 Ca -0.21 -2.91 0.00 0.00 -0.00 0.00 0.00 57.72 54.61 2kj6 n HIS 10 Cb 0.53 -2.58 0.00 0.00 -0.00 0.00 0.00 29.99 27.94 2kj6 n HIS 10 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kj6 n GLY 11 N 4.83 0.58 3.03 1.57 0.00 -1.26 -5.11 105.19 108.83 2kj6 n GLY 11 Ca 0.49 -1.47 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 2kj6 n GLY 11 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kj6 s ASP 12 N -4.00 -0.18 -0.30 1.61 -4.77 -1.26 -5.12 116.67 102.65 2kj6 s ASP 12 Ca 0.00 0.36 0.00 0.00 -3.30 0.00 0.00 52.55 49.62 2kj6 s ASP 12 Cb 0.00 0.34 0.19 0.00 -1.09 0.00 0.00 42.92 42.36 2kj6 s ASP 12 CO 0.00 -0.09 0.75 -0.62 0.70 0.00 0.00 175.17 175.91 2kj6 s ASP 13 N 0.39 -1.21 -0.24 2.11 2.15 -1.26 -5.16 116.67 113.44 2kj6 s ASP 13 Ca -0.02 0.05 -0.26 0.00 0.43 0.00 0.00 52.55 52.75 2kj6 s ASP 13 Cb -0.04 1.74 0.07 0.00 -0.30 0.00 0.00 42.92 44.39 2kj6 s ASP 13 CO -0.02 -0.21 0.72 -0.44 -0.17 0.00 0.00 175.17 175.05 2kj6 s SER 14 N 2.75 -0.74 0.12 -0.34 0.01 -1.26 -4.83 113.70 109.41 2kj6 s SER 14 Ca 0.16 1.36 0.04 0.00 1.31 0.00 0.00 55.95 58.82 2kj6 s SER 14 Cb -0.07 1.36 -0.04 0.00 0.21 0.00 0.00 66.02 67.48 2kj6 s SER 14 CO -0.23 -0.29 0.11 0.68 0.41 0.00 0.00 173.24 173.92 2kj6 s VAL 15 N 0.20 4.52 -0.80 3.43 -7.23 -0.62 -4.92 120.40 114.98 2kj6 s VAL 15 Ca -0.01 -0.91 -0.19 0.00 -1.81 0.00 0.00 61.98 59.06 2kj6 s VAL 15 Cb -0.04 -3.24 0.13 0.00 0.56 0.00 0.00 36.38 33.78 2kj6 s VAL 15 CO 0.02 0.02 0.96 -1.00 -0.31 0.00 0.00 175.10 174.79 2kj6 s HIS 16 N -1.56 3.12 -0.55 2.82 3.76 -1.26 -2.34 115.29 119.29 2kj6 s HIS 16 Ca 0.30 -1.26 -0.28 0.00 -0.15 0.00 0.00 55.06 53.67 2kj6 s HIS 16 Cb -0.11 -4.16 0.01 0.00 1.11 0.00 0.00 32.58 29.42 2kj6 s HIS 16 CO 0.23 -1.40 1.50 -0.51 -0.85 0.00 0.00 174.74 173.71 2kj6 s LEU 17 N 2.53 3.40 -0.61 0.89 1.43 0.22 -4.78 118.68 121.76 2kj6 s LEU 17 Ca 0.25 0.39 -0.27 0.00 -1.03 0.00 0.00 54.13 53.47 2kj6 s LEU 17 Cb -0.11 -3.03 -0.01 0.00 0.03 0.00 0.00 46.19 43.07 2kj6 s LEU 17 CO -0.03 -1.79 1.69 -1.00 0.23 0.00 0.00 176.35 175.45 2kj6 s HIS 18 N 6.50 1.87 -0.28 0.29 3.76 -1.25 -0.64 115.29 125.53 2kj6 s HIS 18 Ca 0.57 0.59 -0.23 0.00 -0.15 0.00 0.00 55.06 55.83 2kj6 s HIS 18 Cb -0.12 -4.23 -0.01 0.00 1.11 0.00 0.00 32.58 29.33 2kj6 s HIS 18 CO 0.25 -2.27 0.75 0.42 -0.85 0.00 0.00 174.74 173.05 2kj6 s ILE 19 N 7.91 4.86 -0.37 0.60 1.01 -1.15 -0.42 121.20 133.64 2kj6 s ILE 19 Ca 0.60 1.24 0.04 0.00 0.00 0.00 0.00 60.65 62.53 2kj6 s ILE 19 Cb -0.12 -4.08 0.10 0.00 0.01 0.00 0.00 42.46 38.37 2kj6 s ILE 19 CO 0.21 -0.14 0.09 -0.89 0.00 0.00 0.00 174.94 174.21 2kj6 s THR 20 N 2.80 2.19 -0.10 2.92 2.01 0.90 -3.99 115.64 122.38 2kj6 s THR 20 Ca 0.31 -2.42 -0.30 0.00 0.31 0.00 0.00 61.69 59.60 2kj6 s THR 20 Cb -0.15 -2.61 -0.02 0.00 0.01 0.00 0.00 72.50 69.73 2kj6 s THR 20 CO 0.10 -0.64 1.16 -2.28 -0.69 0.00 0.00 174.62 172.27 2kj6 s HIS 21 N 0.78 3.21 0.34 4.92 2.46 -1.26 -0.50 115.29 125.23 2kj6 s HIS 21 Ca 0.12 1.28 0.04 0.00 0.47 0.00 0.00 55.06 56.97 2kj6 s HIS 21 Cb -0.20 -3.38 0.67 0.00 -0.13 0.00 0.00 32.58 29.54 2kj6 s HIS 21 CO -0.08 -1.10 1.92 0.00 -2.47 0.00 0.00 174.74 173.01 2kj6 h ALA 22 N 7.51 1.65 -0.36 1.58 0.00 -0.93 -0.41 119.26 128.29 2kj6 h ALA 22 Ca -0.31 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.59 2kj6 h ALA 22 Cb 1.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2kj6 h ALA 22 CO 0.90 0.20 0.24 -0.91 0.00 0.00 0.00 179.25 179.68 2kj6 h ASN 23 N 0.86 0.41 -3.37 0.00 4.21 -1.92 -3.31 115.58 112.45 2kj6 h ASN 23 Ca 0.37 -0.01 -0.61 0.00 1.21 0.00 0.00 56.30 57.26 2kj6 h ASN 23 Cb 0.32 -0.10 -0.40 0.00 -1.12 0.00 0.00 38.32 37.02 2kj6 h ASN 23 CO -0.14 0.29 -0.71 -0.76 -1.29 0.00 0.00 177.43 174.82 2kj6 s LEU 24 N -9.43 3.29 0.00 1.61 1.43 -0.17 -4.95 118.68 110.45 2kj6 s LEU 24 Ca -0.08 -3.05 0.18 0.00 -1.03 0.00 0.00 54.13 50.15 2kj6 s LEU 24 Cb 0.17 -1.19 1.03 0.00 0.03 0.00 0.00 46.19 46.23 2kj6 s LEU 24 CO 0.72 -0.20 1.51 2.29 0.23 0.00 0.00 176.35 180.90 2kj6 n LYS 25 N 2.99 0.46 -0.17 1.70 2.85 -1.20 -0.63 118.16 124.16 2kj6 n LYS 25 Ca 0.14 0.04 0.12 0.00 -1.05 0.00 0.00 58.31 57.56 2kj6 n LYS 25 Cb 0.36 -1.50 0.22 0.00 -0.65 0.00 0.00 35.03 33.47 2kj6 n LYS 25 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2kj6 n SER 26 N -1.10 3.29 -4.59 -5.58 2.88 -1.26 -4.87 113.62 102.39 2kj6 n SER 26 Ca 0.12 -1.97 -0.42 0.00 -1.33 0.00 0.00 58.87 55.26 2kj6 n SER 26 Cb 0.09 -0.22 -0.02 0.00 -0.75 0.00 0.00 64.21 63.30 2kj6 n SER 26 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2kj6 s PHE 27 N -1.55 2.60 -0.17 0.66 5.36 0.20 -4.85 117.98 120.22 2kj6 s PHE 27 Ca 0.38 0.54 0.16 0.00 -0.96 0.00 0.00 56.93 57.04 2kj6 s PHE 27 Cb 0.22 -4.46 0.37 0.00 -0.34 0.00 0.00 43.02 38.81 2kj6 s PHE 27 CO 0.31 -1.60 1.22 -1.13 -1.46 0.00 0.00 175.22 172.57 2kj6 n SER 28 N 8.48 2.31 -4.60 6.13 3.41 -1.26 -4.37 113.62 123.71 2kj6 n SER 28 Ca 0.11 -3.39 -0.43 0.00 -0.26 0.00 0.00 58.87 54.91 2kj6 n SER 28 Cb 0.49 -0.49 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2kj6 n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kj6 s ALA 29 N -3.01 3.39 0.24 7.33 0.00 -1.26 -4.88 121.76 123.57 2kj6 s ALA 29 Ca 0.36 -0.44 -0.10 0.00 0.00 0.00 0.00 51.96 51.78 2kj6 s ALA 29 Cb 0.32 -3.58 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 2kj6 s ALA 29 CO 0.00 -1.67 0.57 0.16 0.00 0.00 0.00 175.76 174.82 2kj6 s ASP 30 N 1.93 6.62 -0.02 0.00 -4.77 -1.26 -2.95 116.67 116.21 2kj6 s ASP 30 Ca 0.39 0.93 0.08 0.00 -3.30 0.00 0.00 52.55 50.65 2kj6 s ASP 30 Cb -0.11 -2.23 -0.02 0.00 -1.09 0.00 0.00 42.92 39.47 2kj6 s ASP 30 CO 0.20 -0.10 -0.25 0.00 0.70 0.00 0.00 175.17 175.72 2kj6 s ALA 31 N -1.86 2.09 -0.41 2.11 0.00 0.18 -4.87 121.76 119.00 2kj6 s ALA 31 Ca 0.48 -1.09 -0.28 0.00 0.00 0.00 0.00 51.96 51.07 2kj6 s ALA 31 Cb -0.11 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.50 2kj6 s ALA 31 CO 0.22 0.51 1.06 -0.98 0.00 0.00 0.00 175.76 176.58 2kj6 s ARG 32 N -0.59 3.83 0.20 0.00 1.70 -1.26 -0.61 118.95 122.22 2kj6 s ARG 32 Ca 0.10 0.69 -0.01 0.00 -0.47 0.00 0.00 55.73 56.03 2kj6 s ARG 32 Cb -0.10 -3.84 -0.04 0.00 -0.57 0.00 0.00 34.95 30.40 2kj6 s ARG 32 CO -0.01 -1.14 0.13 -0.06 -1.08 0.00 0.00 175.30 173.13 2kj6 s PHE 33 N 3.98 1.12 -0.22 5.89 0.08 -0.99 -4.95 117.98 122.89 2kj6 s PHE 33 Ca 0.44 -1.36 -0.07 0.00 0.12 0.00 0.00 56.93 56.06 2kj6 s PHE 33 Cb -0.10 -0.54 -0.03 0.00 -0.57 0.00 0.00 43.02 41.78 2kj6 s PHE 33 CO 0.24 -0.64 0.07 -1.54 -0.10 0.00 0.00 175.22 173.25 2kj6 s SER 34 N -3.15 5.31 0.00 1.36 1.04 -1.26 -1.58 113.70 115.42 2kj6 s SER 34 Ca 0.38 -0.10 0.10 0.00 0.48 0.00 0.00 55.95 56.80 2kj6 s SER 34 Cb 0.07 -1.94 0.45 0.00 0.10 0.00 0.00 66.02 64.71 2kj6 s SER 34 CO 0.11 0.04 1.28 -2.65 0.98 0.00 0.00 173.24 173.00 2kj6 n PRO 35 N 4.42 0.05 0.00 4.02 -0.02 -1.26 -2.15 135.00 140.06 2kj6 n PRO 35 Ca -0.16 0.28 0.09 0.00 -2.02 0.00 0.00 63.50 61.69 2kj6 n PRO 35 Cb 0.52 -1.50 0.54 0.00 -0.02 0.00 0.00 33.50 33.04 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 -1.42 0.88 -3.41 -0.52 6.02 -1.26 -0.05 117.38 117.62 2kj6 n GLN 36 Ca 0.03 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.68 2kj6 n GLN 36 Cb 0.10 -1.32 -0.06 0.00 1.02 0.00 0.00 30.24 29.98 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 -2.00 3.89 0.18 -1.09 1.75 -0.92 -4.67 119.30 116.43 2kj6 s MET 37 Ca 0.27 0.37 -0.04 0.00 -1.25 0.00 0.00 55.69 55.04 2kj6 s MET 37 Cb 0.13 -2.85 -0.05 0.00 2.84 0.00 0.00 34.83 34.89 2kj6 s MET 37 CO 0.21 0.44 0.40 -1.54 -0.65 0.00 0.00 175.02 173.89 2kj6 s SER 38 N -1.93 6.46 0.00 1.11 1.04 -1.26 -3.94 113.70 115.18 2kj6 s SER 38 Ca 0.40 0.56 0.27 0.00 0.48 0.00 0.00 55.95 57.66 2kj6 s SER 38 Cb -0.14 -2.08 1.24 0.00 0.10 0.00 0.00 66.02 65.15 2kj6 s SER 38 CO 0.20 -0.01 1.89 0.52 0.98 0.00 0.00 173.24 176.82 2kj6 n VAL 39 N -0.24 0.14 -0.16 5.02 0.31 0.29 -3.02 118.33 120.67 2kj6 n VAL 39 Ca -0.03 0.04 -0.10 0.00 -0.01 0.00 0.00 64.34 64.24 2kj6 n VAL 39 Cb 0.52 -0.58 -0.00 0.00 -0.91 0.00 0.00 33.84 32.88 2kj6 n VAL 39 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2kj6 h GLU 40 N 0.00 0.82 0.02 5.55 4.81 -1.75 -3.26 114.58 120.77 2kj6 h GLU 40 Ca 0.00 -0.25 -0.21 0.00 -0.13 0.00 0.00 59.36 58.76 2kj6 h GLU 40 Cb 0.38 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2kj6 h GLU 40 CO 0.00 0.86 -0.99 0.00 -0.73 0.00 0.00 179.01 178.15 2kj6 h ALA 41 N 0.93 0.39 0.00 2.92 0.00 -1.86 -3.28 119.26 118.35 2kj6 h ALA 41 Ca 0.13 -0.85 -0.04 0.00 0.00 0.00 0.00 54.91 54.15 2kj6 h ALA 41 Cb 0.48 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2kj6 h ALA 41 CO 0.02 1.12 -0.18 -0.24 0.00 0.00 0.00 179.25 179.97 2kj6 h VAL 42 N 0.03 0.72 0.15 0.00 3.04 -1.63 -1.84 116.25 116.71 2kj6 h VAL 42 Ca -0.03 -0.76 -0.01 0.00 -1.01 0.00 0.00 66.70 64.89 2kj6 h VAL 42 Cb 1.71 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 32.46 2kj6 h VAL 42 CO 0.14 0.18 -0.07 0.11 -1.01 0.00 0.00 177.57 176.92 2kj6 h LYS 43 N 0.00 -0.19 -0.03 4.17 1.57 -1.65 -2.17 116.57 118.27 2kj6 h LYS 43 Ca -0.00 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 2kj6 h LYS 43 Cb 0.45 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2kj6 h LYS 43 CO 0.02 -0.00 -0.42 1.49 -0.57 0.00 0.00 179.45 179.98 2kj6 h GLU 44 N -0.36 0.06 -0.85 3.15 4.81 -1.69 -2.18 114.58 117.53 2kj6 h GLU 44 Ca -0.02 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2kj6 h GLU 44 Cb 0.28 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 2kj6 h GLU 44 CO 0.03 0.47 0.55 -0.22 -0.73 0.00 0.00 179.01 179.11 2kj6 h LYS 45 N 0.05 1.05 0.00 1.92 3.64 -0.98 0.11 116.57 122.37 2kj6 h LYS 45 Ca 0.00 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.21 2kj6 h LYS 45 Cb 0.76 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 2kj6 h LYS 45 CO 0.06 0.69 -0.63 -0.07 -2.27 0.00 0.00 179.45 177.23 2kj6 h LEU 46 N 1.08 0.00 0.24 5.20 3.38 -1.26 -3.00 115.31 120.95 2kj6 h LEU 46 Ca 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 2kj6 h LEU 46 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2kj6 h LEU 46 CO -0.10 0.49 -0.11 -0.25 0.09 0.00 0.00 178.44 178.56 2kj6 h TRP 47 N 0.00 -0.29 -0.00 1.13 7.01 -0.60 0.94 115.95 124.14 2kj6 h TRP 47 Ca -0.03 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.97 2kj6 h TRP 47 Cb 1.40 0.10 0.00 0.00 -2.10 0.00 0.00 29.16 28.56 2kj6 h TRP 47 CO 0.00 0.08 -0.07 0.36 -2.79 0.00 0.00 178.44 176.02 2kj6 n LYS 48 N -5.03 0.36 0.08 2.65 2.85 0.28 -2.02 118.16 117.31 2kj6 n LYS 48 Ca -0.09 -0.06 -0.22 0.00 -1.05 0.00 0.00 58.31 56.90 2kj6 n LYS 48 Cb 0.26 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 32.99 2kj6 n LYS 48 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2kj6 h LYS 49 N 0.15 0.37 0.00 -1.58 3.64 -1.54 -3.46 116.57 114.15 2kj6 h LYS 49 Ca 0.00 -0.64 0.00 0.00 -1.27 0.00 0.00 60.65 58.74 2kj6 h LYS 49 Cb 0.37 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2kj6 h LYS 49 CO 0.00 1.30 0.00 0.00 -2.27 0.00 0.00 179.45 178.48 2kj6 n GLY 51 N -1.21 0.68 0.27 0.00 0.00 0.30 -4.99 105.19 100.24 2kj6 n GLY 51 Ca 0.00 -0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2kj6 n GLY 51 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2kj6 h THR 52 N 0.00 0.30 -1.33 2.61 2.02 -1.79 -3.48 112.91 111.24 2kj6 h THR 52 Ca 0.00 -0.62 0.13 0.00 0.77 0.00 0.00 66.41 66.69 2kj6 h THR 52 Cb 0.00 1.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.81 2kj6 h THR 52 CO 0.00 0.09 -0.48 -0.24 0.37 0.00 0.00 175.52 175.26 2kj6 n SER 53 N -3.32 -2.96 -0.58 4.18 2.88 -1.26 -4.51 113.62 108.05 2kj6 n SER 53 Ca -0.01 0.55 0.08 0.00 -1.33 0.00 0.00 58.87 58.17 2kj6 n SER 53 Cb 0.29 -1.88 0.05 0.00 -0.75 0.00 0.00 64.21 61.93 2kj6 n SER 53 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 2kj6 n VAL 54 N -2.89 0.00 -0.08 2.46 0.24 -1.26 -4.39 118.33 112.40 2kj6 n VAL 54 Ca -0.04 -0.46 -0.07 0.00 -2.04 0.00 0.00 64.34 61.74 2kj6 n VAL 54 Cb 0.26 1.30 -0.16 0.00 -1.47 0.00 0.00 33.84 33.77 2kj6 n VAL 54 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2kj6 n ASN 55 N 0.66 0.05 -0.51 -1.34 5.15 -1.26 -4.24 115.26 113.76 2kj6 n ASN 55 Ca 0.09 0.02 0.04 0.00 -0.60 0.00 0.00 54.58 54.13 2kj6 n ASN 55 Cb 0.39 1.08 0.11 0.00 -0.53 0.00 0.00 39.78 40.83 2kj6 n ASN 55 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2kj6 n SER 56 N -2.70 1.46 -3.74 1.20 2.88 -1.26 -4.74 113.62 106.72 2kj6 n SER 56 Ca -0.28 -2.03 -0.12 0.00 -1.33 0.00 0.00 58.87 55.11 2kj6 n SER 56 Cb 1.07 -0.20 -0.13 0.00 -0.75 0.00 0.00 64.21 64.21 2kj6 n SER 56 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 2kj6 s MET 57 N -1.66 0.24 -0.01 -1.46 -2.45 -1.26 -1.23 119.30 111.48 2kj6 s MET 57 Ca 0.17 0.51 0.06 0.00 -1.25 0.00 0.00 55.69 55.18 2kj6 s MET 57 Cb 0.09 -0.05 -0.03 0.00 1.25 0.00 0.00 34.83 36.10 2kj6 s MET 57 CO 0.11 -0.13 -0.20 0.00 1.05 0.00 0.00 175.02 175.85 2kj6 s ALA 58 N 1.00 2.44 -0.60 4.11 0.00 0.76 -4.85 121.76 124.63 2kj6 s ALA 58 Ca -0.07 -1.11 -0.09 0.00 0.00 0.00 0.00 51.96 50.69 2kj6 s ALA 58 Cb -0.08 -0.73 0.15 0.00 0.00 0.00 0.00 23.12 22.47 2kj6 s ALA 58 CO -0.07 0.55 0.48 -0.51 0.00 0.00 0.00 175.76 176.21 2kj6 s LEU 59 N -0.93 5.89 -1.07 0.00 1.43 -1.26 -0.95 118.68 121.80 2kj6 s LEU 59 Ca 0.12 -2.30 -0.22 0.00 -1.03 0.00 0.00 54.13 50.70 2kj6 s LEU 59 Cb -0.10 -2.04 0.05 0.00 0.03 0.00 0.00 46.19 44.13 2kj6 s LEU 59 CO 0.01 -0.61 1.52 -1.61 0.23 0.00 0.00 176.35 175.90 2kj6 s GLU 60 N 0.78 3.62 -0.63 1.70 0.41 -0.89 -4.90 118.70 118.79 2kj6 s GLU 60 Ca 0.11 -1.25 -0.28 0.00 -0.41 0.00 0.00 54.97 53.14 2kj6 s GLU 60 Cb -0.21 -5.38 0.03 0.00 -1.78 0.00 0.00 34.13 26.78 2kj6 s GLU 60 CO -0.03 -2.27 1.24 -1.17 -0.49 0.00 0.00 175.26 172.54 2kj6 s LEU 61 N 5.05 3.36 -0.10 1.80 2.96 -1.26 -1.94 118.68 128.55 2kj6 s LEU 61 Ca 0.48 -0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 54.32 2kj6 s LEU 61 Cb 0.01 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 2kj6 s LEU 61 CO -0.06 -1.62 0.04 -0.31 -1.32 0.00 0.00 176.35 173.08 2kj6 s TYR 62 N 5.32 3.28 -0.99 5.38 2.02 -1.13 -1.35 117.35 129.88 2kj6 s TYR 62 Ca 0.42 0.28 -0.23 0.00 -0.37 0.00 0.00 57.07 57.16 2kj6 s TYR 62 Cb -0.08 -1.84 -0.00 0.00 -0.40 0.00 0.00 41.96 39.64 2kj6 s TYR 62 CO 0.22 0.53 1.73 0.34 -1.57 0.00 0.00 175.55 176.81 2kj6 s ASP 63 N -0.88 5.78 -1.60 2.29 -1.08 0.11 -2.99 116.67 118.30 2kj6 s ASP 63 Ca 0.13 -1.15 -0.01 0.00 -0.52 0.00 0.00 52.55 51.00 2kj6 s ASP 63 Cb -0.12 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 2kj6 s ASP 63 CO 0.03 -2.18 0.11 -0.67 0.52 0.00 0.00 175.17 172.98 2kj6 n ASP 64 N 11.64 -5.51 0.00 -0.34 2.03 -1.26 -1.49 116.55 121.62 2kj6 n ASP 64 Ca 0.38 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.66 2kj6 n ASP 64 Cb 0.48 -4.57 0.00 0.00 -0.72 0.00 0.00 41.12 36.31 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 -2.07 -0.44 -0.02 1.67 7.64 -1.23 -4.84 113.62 114.34 2kj6 n SER 65 Ca -0.20 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.67 2kj6 n SER 65 Cb 0.66 -1.38 -0.00 0.00 -1.01 0.00 0.00 64.21 62.48 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 -2.07 0.23 0.00 -1.58 -3.49 103.07 96.16 2kj6 h GLY 66 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.89 2kj6 h GLY 66 CO 0.00 0.00 -0.13 -0.56 0.00 0.00 0.00 176.54 175.85 2kj6 s SER 67 N -3.96 5.37 -0.15 0.19 0.01 -1.17 -4.90 113.70 109.08 2kj6 s SER 67 Ca -0.03 -0.31 -0.00 0.00 1.31 0.00 0.00 55.95 56.92 2kj6 s SER 67 Cb 0.00 -0.60 -0.01 0.00 0.21 0.00 0.00 66.02 65.63 2kj6 s SER 67 CO 0.04 -1.04 -0.14 -1.59 0.41 0.00 0.00 173.24 170.92 2kj6 s LYS 68 N -4.59 3.26 -0.07 12.44 -2.85 -1.26 0.09 119.74 126.76 2kj6 s LYS 68 Ca 0.57 -0.73 0.11 0.00 -1.00 0.00 0.00 55.97 54.92 2kj6 s LYS 68 Cb -0.09 -2.65 0.16 0.00 -2.06 0.00 0.00 37.83 33.19 2kj6 s LYS 68 CO 0.36 0.05 1.05 1.33 0.10 0.00 0.00 175.35 178.25 2kj6 n VAL 69 N 3.97 1.22 -2.51 1.79 0.24 -0.46 -4.87 118.33 117.72 2kj6 n VAL 69 Ca -0.19 -1.44 -0.40 0.00 -2.04 0.00 0.00 64.34 60.28 2kj6 n VAL 69 Cb 0.52 0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.98 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 -1.78 2.63 -0.24 2.33 0.00 -0.96 -4.69 121.76 119.05 2kj6 s ALA 70 Ca 0.18 -2.08 0.01 0.00 0.00 0.00 0.00 51.96 50.07 2kj6 s ALA 70 Cb 0.16 -4.50 -0.15 0.00 0.00 0.00 0.00 23.12 18.63 2kj6 s ALA 70 CO 0.02 -3.68 -0.22 1.55 0.00 0.00 0.00 175.76 173.43 2kj6 n VAL 71 N 6.91 1.34 -3.30 0.00 3.14 -1.26 -4.95 118.33 120.21 2kj6 n VAL 71 Ca 0.30 -0.50 -0.10 0.00 -2.96 0.00 0.00 64.34 61.08 2kj6 n VAL 71 Cb 0.50 -1.36 0.01 0.00 -1.06 0.00 0.00 33.84 31.93 2kj6 n VAL 71 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2kj6 n LEU 72 N -3.25 -5.24 0.00 6.55 7.99 -1.26 -4.93 117.00 116.85 2kj6 n LEU 72 Ca -0.42 -0.43 0.00 0.00 -0.01 0.00 0.00 56.01 55.15 2kj6 n LEU 72 Cb 0.93 -2.86 0.00 0.00 -0.11 0.00 0.00 43.42 41.38 2kj6 n LEU 72 CO 0.22 -0.51 0.22 -0.24 -1.51 0.00 0.00 177.39 175.57 2kj6 n SER 73 N -2.20 0.45 -0.47 -1.43 2.88 -1.26 -4.77 113.62 106.83 2kj6 n SER 73 Ca -0.08 -1.17 0.00 0.00 -1.33 0.00 0.00 58.87 56.29 2kj6 n SER 73 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 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 -0.09 0.00 0.21 -3.46 5.75 -1.26 -4.87 116.55 112.83 2kj6 n ASP 74 Ca 0.00 -1.64 0.15 0.00 -0.01 0.00 0.00 54.79 53.29 2kj6 n ASP 74 Cb 0.33 -0.13 0.62 0.00 -1.03 0.00 0.00 41.12 40.91 2kj6 n ASP 74 CO 0.00 0.00 0.00 -2.24 -0.11 0.00 0.00 177.20 174.85 2kj6 h ASP 75 N 0.00 0.00 0.00 -1.12 2.03 -1.97 -0.19 116.42 115.17 2kj6 h ASP 75 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2kj6 h ASP 75 Cb 1.26 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.76 2kj6 h ASP 75 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 179.24 177.01 2kj6 n SER 76 N -2.66 0.00 -4.50 4.15 7.64 -1.26 -0.54 113.62 116.44 2kj6 n SER 76 Ca 0.01 -1.25 -0.25 0.00 1.01 0.00 0.00 58.87 58.39 2kj6 n SER 76 Cb 0.25 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.35 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 -2.00 1.79 -0.18 1.43 1.81 -0.08 -4.88 118.95 116.83 2kj6 s ARG 77 Ca 0.34 -1.55 -0.29 0.00 -1.72 0.00 0.00 55.73 52.51 2kj6 s ARG 77 Cb 0.15 -1.92 -0.02 0.00 -0.45 0.00 0.00 34.95 32.71 2kj6 s ARG 77 CO 0.26 0.38 1.42 -2.14 -0.68 0.00 0.00 175.30 174.53 2kj6 s PRO 78 N -3.14 4.08 0.32 3.54 0.02 -1.26 -4.38 135.00 134.18 2kj6 s PRO 78 Ca 0.26 1.69 -0.00 0.00 0.02 0.00 0.00 61.00 62.97 2kj6 s PRO 78 Cb -0.07 -3.88 0.52 0.00 0.02 0.00 0.00 34.50 31.09 2kj6 s PRO 78 CO 0.14 -0.93 1.98 -0.07 -0.33 0.00 0.00 177.00 177.80 2kj6 h LEU 79 N 10.43 0.86 0.00 -5.54 3.38 -1.57 -0.80 115.31 122.07 2kj6 h LEU 79 Ca -0.30 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.65 2kj6 h LEU 79 Cb 1.13 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2kj6 h LEU 79 CO 0.99 0.62 0.00 0.61 0.09 0.00 0.00 178.44 180.75 2kj6 n GLY 80 N -1.42 -1.13 0.14 0.83 0.00 0.93 -0.22 105.19 104.32 2kj6 n GLY 80 Ca 0.08 -0.16 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 2kj6 n GLY 80 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2kj6 h PHE 81 N 0.00 0.66 0.00 1.61 3.57 -1.37 -3.38 116.94 118.02 2kj6 h PHE 81 Ca 0.00 -0.39 -0.11 0.00 3.53 0.00 0.00 57.97 61.00 2kj6 h PHE 81 Cb 0.17 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 2kj6 h PHE 81 CO 0.00 1.23 -0.84 0.35 -2.23 0.00 0.00 178.31 176.82 2kj6 h PHE 82 N -0.10 0.00 -5.30 0.41 3.57 -1.58 -3.51 116.94 110.43 2kj6 h PHE 82 Ca -0.10 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 2kj6 h PHE 82 Cb 1.47 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.21 2kj6 h PHE 82 CO 0.15 0.77 -0.92 0.45 -2.23 0.00 0.00 178.31 176.53 2kj6 n SER 83 N -4.53 -7.87 -0.04 0.41 2.88 0.69 -4.95 113.62 100.21 2kj6 n SER 83 Ca -0.19 1.18 -0.12 0.00 -1.33 0.00 0.00 58.87 58.40 2kj6 n SER 83 Cb 0.47 -4.96 -0.07 0.00 -0.75 0.00 0.00 64.21 58.90 2kj6 n SER 83 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2kj6 h PRO 84 N 2.92 0.22 0.00 -1.46 0.11 -1.98 -3.45 132.00 128.36 2kj6 h PRO 84 Ca -0.01 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2kj6 h PRO 84 Cb 0.28 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.37 2kj6 h PRO 84 CO 0.11 0.47 0.00 1.19 -0.21 0.00 0.00 178.00 179.56 2kj6 n PHE 85 N -4.78 -1.53 -0.79 0.65 3.72 -1.26 -5.18 117.46 108.29 2kj6 n PHE 85 Ca -0.06 0.29 0.09 0.00 -0.05 0.00 0.00 57.45 57.71 2kj6 n PHE 85 Cb 0.21 0.83 -0.05 0.00 -0.94 0.00 0.00 39.48 39.53 2kj6 n PHE 85 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2kj6 n ASP 86 N -2.90 -4.27 -0.32 4.37 2.03 -1.26 -4.98 116.55 109.23 2kj6 n ASP 86 Ca 0.00 0.81 0.00 0.00 0.52 0.00 0.00 54.79 56.12 2kj6 n ASP 86 Cb 0.00 -2.67 0.00 0.00 -0.72 0.00 0.00 41.12 37.73 2kj6 n ASP 86 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kj6 n GLY 87 N -3.19 0.96 3.34 0.27 0.00 -1.26 -5.05 105.19 100.26 2kj6 n GLY 87 Ca -0.05 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 2kj6 n GLY 87 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kj6 n PHE 88 N -1.95 -3.72 -5.13 1.61 3.72 -1.26 -4.70 117.46 106.03 2kj6 n PHE 88 Ca 0.00 -1.16 -0.29 0.00 -0.05 0.00 0.00 57.45 55.95 2kj6 n PHE 88 Cb 0.36 -0.82 -0.16 0.00 -0.94 0.00 0.00 39.48 37.92 2kj6 n PHE 88 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2kj6 s ARG 89 N -5.29 1.98 -0.38 -1.08 0.52 -1.16 -3.91 118.95 109.62 2kj6 s ARG 89 Ca 0.63 -0.81 -0.10 0.00 -0.52 0.00 0.00 55.73 54.93 2kj6 s ARG 89 Cb -0.02 -1.84 0.04 0.00 0.52 0.00 0.00 34.95 33.65 2kj6 s ARG 89 CO 0.43 0.45 0.21 -0.51 0.02 0.00 0.00 175.30 175.90 2kj6 s LEU 90 N -0.41 4.78 -0.76 2.53 1.43 0.43 -2.83 118.68 123.85 2kj6 s LEU 90 Ca 0.05 -1.15 -0.21 0.00 -1.03 0.00 0.00 54.13 51.79 2kj6 s LEU 90 Cb -0.10 -1.99 0.09 0.00 0.03 0.00 0.00 46.19 44.22 2kj6 s LEU 90 CO 0.00 -0.42 1.04 -2.28 0.23 0.00 0.00 176.35 174.92 2kj6 s HIS 91 N 1.50 2.81 -0.39 0.29 5.65 -0.82 -0.07 115.29 124.27 2kj6 s HIS 91 Ca 0.02 -0.84 -0.29 0.00 0.25 0.00 0.00 55.06 54.19 2kj6 s HIS 91 Cb -0.20 -4.31 0.02 0.00 -1.18 0.00 0.00 32.58 26.91 2kj6 s HIS 91 CO 0.05 -1.61 1.11 0.42 -0.65 0.00 0.00 174.74 174.06 2kj6 s ILE 92 N 3.65 4.37 -0.26 0.89 -1.09 0.35 -2.09 121.20 127.01 2kj6 s ILE 92 Ca 0.27 1.51 -0.16 0.00 -2.23 0.00 0.00 60.65 60.04 2kj6 s ILE 92 Cb -0.12 -4.49 -0.03 0.00 -1.58 0.00 0.00 42.46 36.23 2kj6 s ILE 92 CO 0.03 -0.71 0.43 -0.63 -1.23 0.00 0.00 174.94 172.83 2kj6 s ILE 93 N 4.02 5.14 0.08 2.92 -1.09 -0.12 -0.22 121.20 131.92 2kj6 s ILE 93 Ca 0.47 0.69 -0.01 0.00 -2.23 0.00 0.00 60.65 59.57 2kj6 s ILE 93 Cb -0.10 -3.75 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 2kj6 s ILE 93 CO 0.23 0.14 0.24 -0.62 -1.23 0.00 0.00 174.94 173.69 2kj6 s ASP 94 N 1.57 6.39 0.39 3.58 -1.08 -1.26 -0.17 116.67 126.08 2kj6 s ASP 94 Ca 0.17 0.33 0.21 0.00 -0.52 0.00 0.00 52.55 52.75 2kj6 s ASP 94 Cb -0.16 -1.99 0.53 0.00 -1.46 0.00 0.00 42.92 39.85 2kj6 s ASP 94 CO 0.10 0.15 1.66 0.25 0.52 0.00 0.00 175.17 177.84 2kj6 h LEU 95 N 3.03 0.00 -7.71 -1.34 5.85 -1.50 -3.42 115.31 110.21 2kj6 h LEU 95 Ca -0.45 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 57.71 2kj6 h LEU 95 Cb 1.16 0.00 -0.37 0.00 0.37 0.00 0.00 40.66 41.82 2kj6 h LEU 95 CO 0.75 0.27 -0.81 -0.62 -0.34 0.00 0.00 178.44 177.70 2kj6 s ASP 96 N -6.26 2.66 0.00 1.25 2.15 -1.26 -5.12 116.67 110.09 2kj6 s ASP 96 Ca 0.03 -0.54 0.28 0.00 0.43 0.00 0.00 52.55 52.75 2kj6 s ASP 96 Cb 0.08 -0.98 1.69 0.00 -0.30 0.00 0.00 42.92 43.42 2kj6 s ASP 96 CO 0.68 -0.14 2.03 -2.65 -0.17 0.00 0.00 175.17 174.92