#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 -0.25 3.58 3.03 0.00 -1.26 -5.13 105.19 105.15 2kj6 n GLY 2 Ca 0.00 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2kj6 n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kj6 s HIS 3 N 0.00 3.18 -0.52 1.61 4.02 -1.26 -5.02 115.29 117.31 2kj6 s HIS 3 Ca 0.00 0.38 -0.14 0.00 1.02 0.00 0.00 55.06 56.32 2kj6 s HIS 3 Cb 0.00 -3.02 0.12 0.00 -1.02 0.00 0.00 32.58 28.66 2kj6 s HIS 3 CO 0.00 -0.55 0.45 -3.38 1.02 0.00 0.00 174.74 172.28 2kj6 s HIS 4 N 2.58 3.31 -0.84 1.40 0.00 -1.26 -4.90 115.29 115.58 2kj6 s HIS 4 Ca 0.23 -1.46 0.16 0.00 -3.00 0.00 0.00 55.06 50.99 2kj6 s HIS 4 Cb -0.15 -3.68 0.58 0.00 -4.00 0.00 0.00 32.58 25.33 2kj6 s HIS 4 CO 0.13 -1.00 1.49 1.58 -1.00 0.00 0.00 174.74 175.94 2kj6 n HIS 5 N 5.14 1.12 -2.85 0.38 -0.00 -1.26 -4.95 115.22 112.80 2kj6 n HIS 5 Ca -0.12 -0.65 -0.41 0.00 -0.00 0.00 0.00 57.72 56.54 2kj6 n HIS 5 Cb 0.40 -0.21 -0.04 0.00 -0.00 0.00 0.00 29.99 30.14 2kj6 n HIS 5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kj6 s HIS 6 N -1.89 3.51 -0.01 1.57 2.46 -1.26 -5.04 115.29 114.63 2kj6 s HIS 6 Ca 0.42 1.40 -0.02 0.00 0.47 0.00 0.00 55.06 57.34 2kj6 s HIS 6 Cb 0.28 -3.03 0.00 0.00 -0.13 0.00 0.00 32.58 29.71 2kj6 s HIS 6 CO 0.19 -0.13 0.04 -1.01 -2.47 0.00 0.00 174.74 171.36 2kj6 s HIS 7 N 1.64 0.01 -0.05 3.88 3.76 -1.26 -5.09 115.29 118.18 2kj6 s HIS 7 Ca 0.43 0.00 -0.04 0.00 -0.15 0.00 0.00 55.06 55.29 2kj6 s HIS 7 Cb -0.18 -0.02 -0.01 0.00 1.11 0.00 0.00 32.58 33.48 2kj6 s HIS 7 CO 0.17 -0.07 -0.08 0.72 -0.85 0.00 0.00 174.74 174.63 2kj6 n HIS 8 N 2.73 0.21 -1.29 1.40 -0.00 -1.26 -5.12 115.22 111.89 2kj6 n HIS 8 Ca -0.15 0.09 0.00 0.00 -0.00 0.00 0.00 57.72 57.67 2kj6 n HIS 8 Cb 0.59 -0.34 0.00 0.00 -0.00 0.00 0.00 29.99 30.24 2kj6 n HIS 8 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2kj6 n SER 9 N -3.12 -6.57 -3.84 0.41 7.64 -1.26 -4.69 113.62 102.18 2kj6 n SER 9 Ca -0.03 0.85 -0.42 0.00 1.01 0.00 0.00 58.87 60.28 2kj6 n SER 9 Cb 0.13 -3.09 -0.01 0.00 -1.01 0.00 0.00 64.21 60.23 2kj6 n SER 9 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2kj6 n HIS 10 N 0.55 3.51 -4.26 1.43 -0.00 -1.26 -4.91 115.22 110.27 2kj6 n HIS 10 Ca 0.00 -2.83 -0.35 0.00 -0.00 0.00 0.00 57.72 54.55 2kj6 n HIS 10 Cb 0.00 -2.49 -0.09 0.00 -0.00 0.00 0.00 29.99 27.42 2kj6 n HIS 10 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2kj6 s GLY 11 N 3.55 1.92 -0.13 -1.41 0.00 -1.26 -5.01 107.32 104.97 2kj6 s GLY 11 Ca 0.49 -0.82 -0.07 0.00 0.00 0.00 0.00 44.72 44.33 2kj6 s GLY 11 CO -0.04 -0.61 0.31 1.34 0.00 0.00 0.00 173.10 174.10 2kj6 n ASP 12 N 1.87 2.11 -4.42 1.64 2.03 -1.26 -4.74 116.55 113.78 2kj6 n ASP 12 Ca -0.17 0.19 -0.44 0.00 0.52 0.00 0.00 54.79 54.89 2kj6 n ASP 12 Cb 0.54 -0.84 -0.07 0.00 -0.72 0.00 0.00 41.12 40.03 2kj6 n ASP 12 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 2kj6 s ASP 13 N -7.00 6.19 -0.30 1.67 -4.77 -1.26 -4.98 116.67 106.22 2kj6 s ASP 13 Ca -0.24 -1.12 -0.13 0.00 -3.30 0.00 0.00 52.55 47.77 2kj6 s ASP 13 Cb 0.07 -2.25 0.15 0.00 -1.09 0.00 0.00 42.92 39.80 2kj6 s ASP 13 CO 0.75 -0.82 0.86 -0.94 0.70 0.00 0.00 175.17 175.72 2kj6 s SER 14 N 2.75 -0.79 0.04 2.11 1.04 -1.26 -4.56 113.70 113.04 2kj6 s SER 14 Ca 0.11 1.09 0.09 0.00 0.48 0.00 0.00 55.95 57.71 2kj6 s SER 14 Cb -0.22 1.87 -0.03 0.00 0.10 0.00 0.00 66.02 67.75 2kj6 s SER 14 CO 0.09 -0.15 -0.24 0.68 0.98 0.00 0.00 173.24 174.60 2kj6 s VAL 15 N 2.56 2.30 -0.88 5.02 -7.23 0.48 -4.85 120.40 117.81 2kj6 s VAL 15 Ca -0.04 -1.33 -0.19 0.00 -1.81 0.00 0.00 61.98 58.61 2kj6 s VAL 15 Cb -0.08 -1.91 0.12 0.00 0.56 0.00 0.00 36.38 35.07 2kj6 s VAL 15 CO -0.18 0.37 1.10 -1.00 -0.31 0.00 0.00 175.10 175.08 2kj6 s HIS 16 N -0.83 3.02 -0.90 2.82 3.76 -1.23 -1.85 115.29 120.08 2kj6 s HIS 16 Ca 0.12 -1.23 -0.25 0.00 -0.15 0.00 0.00 55.06 53.56 2kj6 s HIS 16 Cb -0.10 -4.29 0.03 0.00 1.11 0.00 0.00 32.58 29.32 2kj6 s HIS 16 CO 0.03 -1.53 1.49 -0.51 -0.85 0.00 0.00 174.74 173.37 2kj6 s LEU 17 N 2.99 3.35 -1.17 0.89 1.43 -1.15 -4.18 118.68 120.85 2kj6 s LEU 17 Ca 0.31 -0.97 -0.21 0.00 -1.03 0.00 0.00 54.13 52.22 2kj6 s LEU 17 Cb -0.07 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 2kj6 s LEU 17 CO -0.06 -1.80 1.82 -1.00 0.23 0.00 0.00 176.35 175.54 2kj6 s HIS 18 N 6.06 2.27 -0.22 0.29 3.76 -0.94 -3.27 115.29 123.24 2kj6 s HIS 18 Ca 0.47 -0.35 -0.28 0.00 -0.15 0.00 0.00 55.06 54.75 2kj6 s HIS 18 Cb -0.04 -4.33 -0.05 0.00 1.11 0.00 0.00 32.58 29.27 2kj6 s HIS 18 CO -0.00 -1.55 2.08 0.42 -0.85 0.00 0.00 174.74 174.83 2kj6 s ILE 19 N 8.00 3.15 0.01 0.60 1.01 -1.25 0.18 121.20 132.89 2kj6 s ILE 19 Ca 0.61 0.15 0.07 0.00 0.00 0.00 0.00 60.65 61.49 2kj6 s ILE 19 Cb 0.00 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.27 2kj6 s ILE 19 CO 0.07 -0.11 -0.23 -0.89 0.00 0.00 0.00 174.94 173.79 2kj6 s THR 20 N 7.52 1.82 0.47 2.92 2.01 0.96 -3.50 115.64 127.84 2kj6 s THR 20 Ca 0.94 -1.11 0.02 0.00 0.31 0.00 0.00 61.69 61.84 2kj6 s THR 20 Cb -0.31 -1.54 0.01 0.00 0.01 0.00 0.00 72.50 70.67 2kj6 s THR 20 CO 0.35 0.39 0.68 -1.00 -0.69 0.00 0.00 174.62 174.35 2kj6 s HIS 21 N -0.66 3.04 -0.09 4.92 3.76 -1.25 -0.45 115.29 124.57 2kj6 s HIS 21 Ca 0.09 0.04 -0.20 0.00 -0.15 0.00 0.00 55.06 54.84 2kj6 s HIS 21 Cb -0.09 -2.45 -0.28 0.00 1.11 0.00 0.00 32.58 30.86 2kj6 s HIS 21 CO 0.00 -0.52 0.71 0.00 -0.85 0.00 0.00 174.74 174.08 2kj6 h ALA 22 N 0.35 0.04 0.28 -1.40 0.00 -1.93 -3.40 119.26 113.21 2kj6 h ALA 22 Ca -0.44 -0.86 -0.01 0.00 0.00 0.00 0.00 54.91 53.60 2kj6 h ALA 22 Cb 1.27 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2kj6 h ALA 22 CO 0.54 0.53 -0.14 -0.97 0.00 0.00 0.00 179.25 179.21 2kj6 h ASN 23 N -0.45 -0.32 -2.44 0.00 -0.73 -1.96 -3.40 115.58 106.28 2kj6 h ASN 23 Ca -0.20 -0.15 -0.53 0.00 1.87 0.00 0.00 56.30 57.29 2kj6 h ASN 23 Cb 1.60 0.08 -0.06 0.00 0.27 0.00 0.00 38.32 40.22 2kj6 h ASN 23 CO 0.08 0.16 1.17 -0.76 -0.37 0.00 0.00 177.43 177.71 2kj6 s LEU 24 N -9.05 3.31 0.04 0.34 1.43 -1.26 -4.88 118.68 108.61 2kj6 s LEU 24 Ca -0.10 0.14 -0.26 0.00 -1.03 0.00 0.00 54.13 52.88 2kj6 s LEU 24 Cb 0.01 -2.78 -0.17 0.00 0.03 0.00 0.00 46.19 43.27 2kj6 s LEU 24 CO 0.34 -1.95 1.46 0.50 0.23 0.00 0.00 176.35 176.94 2kj6 h LYS 25 N 12.03 -0.33 -4.92 1.70 1.63 -1.80 -3.31 116.57 121.56 2kj6 h LYS 25 Ca -0.27 0.02 -0.70 0.00 -0.85 0.00 0.00 60.65 58.85 2kj6 h LYS 25 Cb 1.10 0.08 -0.18 0.00 -0.60 0.00 0.00 32.23 32.63 2kj6 h LYS 25 CO 1.21 -0.09 0.93 0.45 -3.45 0.00 0.00 179.45 178.50 2kj6 s SER 26 N -5.05 6.74 -0.43 4.20 0.15 -1.26 -4.84 113.70 113.20 2kj6 s SER 26 Ca -0.15 -2.29 0.02 0.00 0.70 0.00 0.00 55.95 54.24 2kj6 s SER 26 Cb 0.03 -2.39 0.13 0.00 -1.71 0.00 0.00 66.02 62.08 2kj6 s SER 26 CO 0.61 -0.97 0.21 0.12 1.20 0.00 0.00 173.24 174.40 2kj6 s PHE 27 N 2.34 2.33 -0.85 3.44 5.36 -1.26 -5.06 117.98 124.28 2kj6 s PHE 27 Ca 0.34 -2.53 -0.22 0.00 -0.96 0.00 0.00 56.93 53.57 2kj6 s PHE 27 Cb -0.04 -2.13 0.08 0.00 -0.34 0.00 0.00 43.02 40.58 2kj6 s PHE 27 CO -0.07 -0.80 1.18 -1.12 -1.46 0.00 0.00 175.22 172.95 2kj6 s SER 28 N 0.44 6.40 -0.14 6.13 0.01 -1.26 -4.45 113.70 120.84 2kj6 s SER 28 Ca 0.16 -1.38 0.15 0.00 1.31 0.00 0.00 55.95 56.18 2kj6 s SER 28 Cb -0.23 -2.47 0.35 0.00 0.21 0.00 0.00 66.02 63.87 2kj6 s SER 28 CO -0.04 -1.39 1.17 0.00 0.41 0.00 0.00 173.24 173.40 2kj6 n ALA 29 N 7.85 2.92 -2.30 1.44 0.00 -1.23 -5.04 120.51 124.15 2kj6 n ALA 29 Ca 0.16 -2.76 -0.43 0.00 0.00 0.00 0.00 53.44 50.41 2kj6 n ALA 29 Cb 0.49 -0.43 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 2kj6 n ALA 29 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2kj6 s ASP 30 N -2.74 6.80 0.05 0.00 -4.77 -1.25 -3.90 116.67 110.85 2kj6 s ASP 30 Ca 0.32 1.74 0.07 0.00 -3.30 0.00 0.00 52.55 51.38 2kj6 s ASP 30 Cb 0.31 -2.54 -0.03 0.00 -1.09 0.00 0.00 42.92 39.57 2kj6 s ASP 30 CO -0.05 -0.88 -0.16 0.00 0.70 0.00 0.00 175.17 174.78 2kj6 s ALA 31 N 3.89 2.70 -0.75 2.11 0.00 -1.20 -4.89 121.76 123.62 2kj6 s ALA 31 Ca 0.61 -1.20 -0.27 0.00 0.00 0.00 0.00 51.96 51.10 2kj6 s ALA 31 Cb -0.24 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.11 2kj6 s ALA 31 CO 0.20 0.59 1.39 -0.98 0.00 0.00 0.00 175.76 176.96 2kj6 s ARG 32 N -1.61 3.13 0.16 0.00 1.70 -1.26 -2.93 118.95 118.14 2kj6 s ARG 32 Ca 0.16 -0.20 0.06 0.00 -0.47 0.00 0.00 55.73 55.28 2kj6 s ARG 32 Cb -0.11 -4.33 -0.04 0.00 -0.57 0.00 0.00 34.95 29.91 2kj6 s ARG 32 CO 0.07 -2.26 0.08 -0.06 -1.08 0.00 0.00 175.30 172.05 2kj6 s PHE 33 N 6.22 3.04 0.32 5.89 0.08 -0.77 -4.84 117.98 127.93 2kj6 s PHE 33 Ca 0.41 -0.05 -0.26 0.00 0.12 0.00 0.00 56.93 57.14 2kj6 s PHE 33 Cb -0.08 -1.47 -0.10 0.00 -0.57 0.00 0.00 43.02 40.80 2kj6 s PHE 33 CO 0.13 0.52 0.97 -1.12 -0.10 0.00 0.00 175.22 175.62 2kj6 s SER 34 N -2.98 7.28 0.00 1.36 0.01 -1.26 -0.38 113.70 117.72 2kj6 s SER 34 Ca 0.29 1.90 0.00 0.00 1.31 0.00 0.00 55.95 59.46 2kj6 s SER 34 Cb -0.10 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.54 2kj6 s SER 34 CO 0.21 -0.11 0.63 -2.65 0.41 0.00 0.00 173.24 171.73 2kj6 n PRO 35 N 0.60 0.59 -0.29 12.44 -0.02 -1.26 -3.44 135.00 143.62 2kj6 n PRO 35 Ca 0.02 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.59 2kj6 n PRO 35 Cb 0.49 -1.20 0.20 0.00 -0.02 0.00 0.00 33.50 32.97 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 0.76 2.12 -4.03 -0.52 6.02 -1.26 -0.42 117.38 120.05 2kj6 n GLN 36 Ca 0.00 -2.75 -0.31 0.00 -0.01 0.00 0.00 57.00 53.93 2kj6 n GLN 36 Cb 0.30 -1.69 -0.15 0.00 1.02 0.00 0.00 30.24 29.72 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 -2.88 1.91 0.62 -1.09 1.75 -1.22 -4.89 119.30 113.49 2kj6 s MET 37 Ca 0.38 -1.48 -0.12 0.00 -1.25 0.00 0.00 55.69 53.22 2kj6 s MET 37 Cb 0.32 -2.95 -0.04 0.00 2.84 0.00 0.00 34.83 35.01 2kj6 s MET 37 CO 0.06 -0.70 1.03 -1.12 -0.65 0.00 0.00 175.02 173.64 2kj6 s SER 38 N 1.07 6.09 0.46 1.11 0.01 -1.26 -4.83 113.70 116.35 2kj6 s SER 38 Ca -0.02 1.50 0.19 0.00 1.31 0.00 0.00 55.95 58.93 2kj6 s SER 38 Cb -0.20 -2.48 1.11 0.00 0.21 0.00 0.00 66.02 64.67 2kj6 s SER 38 CO -0.07 -0.96 1.99 0.58 0.41 0.00 0.00 173.24 175.19 2kj6 h VAL 39 N -0.20 0.94 -0.58 3.43 2.07 -1.68 -1.71 116.25 118.51 2kj6 h VAL 39 Ca -0.44 -0.72 0.15 0.00 0.82 0.00 0.00 66.70 66.51 2kj6 h VAL 39 Cb 1.19 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 2kj6 h VAL 39 CO 0.61 0.19 0.41 -0.08 0.02 0.00 0.00 177.57 178.72 2kj6 h GLU 40 N 0.00 0.10 0.22 1.57 4.81 -1.33 -1.73 114.58 118.23 2kj6 h GLU 40 Ca -0.00 -0.01 -0.32 0.00 -0.13 0.00 0.00 59.36 58.90 2kj6 h GLU 40 Cb 0.39 -0.02 0.03 0.00 0.63 0.00 0.00 28.75 29.78 2kj6 h GLU 40 CO 0.03 0.07 -1.46 0.00 -0.73 0.00 0.00 179.01 176.92 2kj6 h ALA 41 N 1.71 -0.07 -0.11 2.92 0.00 -1.59 -3.22 119.26 118.90 2kj6 h ALA 41 Ca 0.28 -0.91 -0.11 0.00 0.00 0.00 0.00 54.91 54.17 2kj6 h ALA 41 Cb 0.96 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2kj6 h ALA 41 CO -0.03 0.73 -0.43 -0.24 0.00 0.00 0.00 179.25 179.28 2kj6 h VAL 42 N 0.05 1.32 -0.49 0.00 3.04 -1.38 -0.15 116.25 118.64 2kj6 h VAL 42 Ca -0.27 -1.57 -0.01 0.00 -1.01 0.00 0.00 66.70 63.84 2kj6 h VAL 42 Cb 2.07 1.71 -0.02 0.00 -2.01 0.00 0.00 31.29 33.04 2kj6 h VAL 42 CO 0.23 0.47 0.25 0.11 -1.01 0.00 0.00 177.57 177.62 2kj6 h LYS 43 N 0.21 0.69 -0.69 4.17 1.57 -1.46 -1.02 116.57 120.04 2kj6 h LYS 43 Ca 0.02 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 2kj6 h LYS 43 Cb 0.85 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.00 2kj6 h LYS 43 CO 0.07 0.56 0.15 1.49 -0.57 0.00 0.00 179.45 181.15 2kj6 h GLU 44 N 0.64 1.10 -0.17 3.15 4.81 -1.45 0.96 114.58 123.63 2kj6 h GLU 44 Ca 0.17 -0.27 -0.10 0.00 -0.13 0.00 0.00 59.36 59.03 2kj6 h GLU 44 Cb 0.09 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2kj6 h GLU 44 CO -0.02 0.99 -0.32 -0.22 -0.73 0.00 0.00 179.01 178.70 2kj6 h LYS 45 N 1.04 0.33 0.15 1.92 3.64 -0.70 0.24 116.57 123.19 2kj6 h LYS 45 Ca 0.21 -0.14 -0.28 0.00 -1.27 0.00 0.00 60.65 59.17 2kj6 h LYS 45 Cb 0.39 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.21 2kj6 h LYS 45 CO 0.01 0.62 -1.27 -0.07 -2.27 0.00 0.00 179.45 176.47 2kj6 h LEU 46 N 0.29 0.52 -1.33 5.20 3.38 -0.98 -2.87 115.31 119.51 2kj6 h LEU 46 Ca 0.04 -0.54 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 2kj6 h LEU 46 Cb 0.72 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2kj6 h LEU 46 CO 0.05 1.42 -0.02 -0.25 0.09 0.00 0.00 178.44 179.73 2kj6 h TRP 47 N 0.10 0.43 -0.32 1.13 7.01 -0.36 -0.72 115.95 123.22 2kj6 h TRP 47 Ca -0.15 -0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.81 2kj6 h TRP 47 Cb 1.99 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 28.92 2kj6 h TRP 47 CO 0.08 0.45 0.00 1.63 -2.79 0.00 0.00 178.44 177.81 2kj6 n LYS 48 N -4.30 2.13 -0.08 2.65 5.02 0.03 -2.33 118.16 121.28 2kj6 n LYS 48 Ca 0.01 -1.71 -0.09 0.00 -2.02 0.00 0.00 58.31 54.50 2kj6 n LYS 48 Cb 0.23 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 2kj6 n LYS 48 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2kj6 n LYS 49 N 0.92 0.50 0.00 1.97 4.81 -0.42 -4.73 118.16 121.22 2kj6 n LYS 49 Ca 0.18 0.20 0.10 0.00 -0.87 0.00 0.00 58.31 57.92 2kj6 n LYS 49 Cb 0.46 -1.39 -0.10 0.00 0.02 0.00 0.00 35.03 34.03 2kj6 n LYS 49 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kj6 n GLY 51 N 1.46 -0.16 3.58 0.00 0.00 -0.99 -5.01 105.19 104.08 2kj6 n GLY 51 Ca 0.03 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.00 4.12 0.01 2.61 2.01 -1.26 -5.06 115.64 115.06 2kj6 s THR 52 Ca 0.23 -0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.63 2kj6 s THR 52 Cb -0.10 -2.78 -0.06 0.00 0.01 0.00 0.00 72.50 69.57 2kj6 s THR 52 CO 0.28 0.53 1.52 -0.44 -0.69 0.00 0.00 174.62 175.82 2kj6 s SER 53 N -0.09 6.74 0.00 3.53 0.01 -1.26 -4.53 113.70 118.11 2kj6 s SER 53 Ca 0.03 2.24 0.14 0.00 1.31 0.00 0.00 55.95 59.67 2kj6 s SER 53 Cb -0.13 -2.56 0.83 0.00 0.21 0.00 0.00 66.02 64.38 2kj6 s SER 53 CO 0.02 -0.81 1.29 1.33 0.41 0.00 0.00 173.24 175.48 2kj6 n VAL 54 N 4.86 0.00 0.41 3.43 0.24 -1.26 -2.68 118.33 123.33 2kj6 n VAL 54 Ca 0.15 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.57 2kj6 n VAL 54 Cb 0.43 -0.54 0.50 0.00 -1.47 0.00 0.00 33.84 32.75 2kj6 n VAL 54 CO 0.00 0.00 0.00 -1.13 -2.14 0.00 0.00 176.83 173.56 2kj6 h ASN 55 N 0.00 0.00 -0.06 -1.34 -1.24 -2.02 -2.08 115.58 108.84 2kj6 h ASN 55 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2kj6 h ASN 55 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2kj6 h ASN 55 CO 0.00 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 174.94 2kj6 n SER 56 N -2.35 2.41 -3.57 1.15 7.64 -1.09 -4.82 113.62 112.99 2kj6 n SER 56 Ca 0.02 -1.80 -0.22 0.00 1.01 0.00 0.00 58.87 57.88 2kj6 n SER 56 Cb 0.27 -0.03 -0.15 0.00 -1.01 0.00 0.00 64.21 63.29 2kj6 n SER 56 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2kj6 s MET 57 N -1.95 0.10 0.06 1.43 -2.45 -0.78 -3.14 119.30 112.58 2kj6 s MET 57 Ca 0.33 0.07 0.03 0.00 -1.25 0.00 0.00 55.69 54.87 2kj6 s MET 57 Cb 0.20 -1.48 -0.04 0.00 1.25 0.00 0.00 34.83 34.76 2kj6 s MET 57 CO 0.31 -0.64 0.04 0.00 1.05 0.00 0.00 175.02 175.78 2kj6 s ALA 58 N 2.22 3.42 -0.42 4.11 0.00 -0.77 -4.87 121.76 125.44 2kj6 s ALA 58 Ca 0.04 -1.03 -0.17 0.00 0.00 0.00 0.00 51.96 50.80 2kj6 s ALA 58 Cb -0.16 -1.34 0.03 0.00 0.00 0.00 0.00 23.12 21.65 2kj6 s ALA 58 CO -0.10 0.71 0.40 -0.51 0.00 0.00 0.00 175.76 176.27 2kj6 s LEU 59 N -2.17 4.98 0.31 0.00 1.43 -1.26 -0.04 118.68 121.92 2kj6 s LEU 59 Ca 0.26 -0.78 -0.08 0.00 -1.03 0.00 0.00 54.13 52.50 2kj6 s LEU 59 Cb -0.12 -2.32 -0.06 0.00 0.03 0.00 0.00 46.19 43.73 2kj6 s LEU 59 CO 0.18 -0.56 0.62 -0.70 0.23 0.00 0.00 176.35 176.12 2kj6 s GLU 60 N 2.00 3.72 -0.26 1.70 -6.30 0.52 -4.88 118.70 115.20 2kj6 s GLU 60 Ca 0.10 0.21 -0.01 0.00 -2.50 0.00 0.00 54.97 52.77 2kj6 s GLU 60 Cb -0.18 -2.57 0.08 0.00 0.00 0.00 0.00 34.13 31.46 2kj6 s GLU 60 CO 0.12 0.16 0.06 -1.17 0.02 0.00 0.00 175.26 174.45 2kj6 s LEU 61 N -3.47 1.87 0.23 2.70 2.96 -1.26 0.40 118.68 122.11 2kj6 s LEU 61 Ca 0.47 -1.29 -0.17 0.00 -0.22 0.00 0.00 54.13 52.92 2kj6 s LEU 61 Cb -0.11 -0.79 -0.08 0.00 0.50 0.00 0.00 46.19 45.71 2kj6 s LEU 61 CO 0.28 -0.36 0.68 -0.31 -1.32 0.00 0.00 176.35 175.32 2kj6 s TYR 62 N 1.69 3.55 0.17 5.38 2.02 -0.95 -2.03 117.35 127.18 2kj6 s TYR 62 Ca 0.04 1.24 0.09 0.00 -0.37 0.00 0.00 57.07 58.07 2kj6 s TYR 62 Cb -0.17 -2.52 -0.04 0.00 -0.40 0.00 0.00 41.96 38.83 2kj6 s TYR 62 CO -0.17 0.29 -0.14 0.16 -1.57 0.00 0.00 175.55 174.11 2kj6 s ASP 63 N -1.88 4.02 -0.17 2.29 -4.77 -0.34 -0.62 116.67 115.19 2kj6 s ASP 63 Ca 0.45 -0.63 0.06 0.00 -3.30 0.00 0.00 52.55 49.13 2kj6 s ASP 63 Cb -0.14 -0.59 0.43 0.00 -1.09 0.00 0.00 42.92 41.52 2kj6 s ASP 63 CO 0.20 0.12 1.30 0.47 0.70 0.00 0.00 175.17 177.96 2kj6 n ASP 64 N 0.23 3.55 0.03 2.11 8.00 -0.73 -3.98 116.55 125.77 2kj6 n ASP 64 Ca -0.12 -2.64 0.00 0.00 0.71 0.00 0.00 54.79 52.74 2kj6 n ASP 64 Cb 0.55 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 2kj6 n ASP 64 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2kj6 n SER 65 N 0.09 0.46 0.00 -2.24 2.88 -1.26 -5.04 113.62 108.51 2kj6 n SER 65 Ca 0.21 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.85 2kj6 n SER 65 Cb 0.90 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 64.25 2kj6 n SER 65 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kj6 n GLY 66 N 2.99 -0.29 0.65 0.46 0.00 -1.26 -5.12 105.19 102.63 2kj6 n GLY 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kj6 n GLY 66 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kj6 n SER 67 N -0.54 0.00 -3.58 1.61 7.64 -1.26 -4.96 113.62 112.53 2kj6 n SER 67 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 2kj6 n SER 67 Cb 0.00 0.16 -0.15 0.00 -1.01 0.00 0.00 64.21 63.21 2kj6 n SER 67 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2kj6 s LYS 68 N -0.33 0.24 -0.31 1.43 1.02 -1.26 -1.19 119.74 119.33 2kj6 s LYS 68 Ca 0.00 -0.49 0.01 0.00 0.02 0.00 0.00 55.97 55.50 2kj6 s LYS 68 Cb 0.00 -1.42 0.09 0.00 -0.52 0.00 0.00 37.83 35.98 2kj6 s LYS 68 CO 0.00 -0.93 0.06 0.14 -0.92 0.00 0.00 175.35 173.70 2kj6 s VAL 69 N 2.05 1.35 -0.29 3.17 -7.23 -0.86 -4.95 120.40 113.64 2kj6 s VAL 69 Ca 0.07 -1.63 -0.01 0.00 -1.81 0.00 0.00 61.98 58.60 2kj6 s VAL 69 Cb -0.16 -1.96 0.05 0.00 0.56 0.00 0.00 36.38 34.86 2kj6 s VAL 69 CO -0.29 -0.57 -0.02 0.00 -0.31 0.00 0.00 175.10 173.90 2kj6 s ALA 70 N 1.39 2.76 -0.01 1.32 0.00 -1.26 -4.80 121.76 121.17 2kj6 s ALA 70 Ca 0.08 -1.75 -0.22 0.00 0.00 0.00 0.00 51.96 50.07 2kj6 s ALA 70 Cb -0.18 -1.86 -0.12 0.00 0.00 0.00 0.00 23.12 20.96 2kj6 s ALA 70 CO -0.17 -1.24 0.93 0.28 0.00 0.00 0.00 175.76 175.56 2kj6 h VAL 71 N 6.52 0.03 0.00 0.00 2.07 -1.98 -3.47 116.25 119.42 2kj6 h VAL 71 Ca -0.21 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.88 2kj6 h VAL 71 Cb 1.06 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2kj6 h VAL 71 CO 0.52 0.01 0.00 -0.11 0.02 0.00 0.00 177.57 178.00 2kj6 n LEU 72 N -5.30 0.42 -0.26 2.57 7.94 -1.26 -4.71 117.00 116.40 2kj6 n LEU 72 Ca -0.10 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 54.89 2kj6 n LEU 72 Cb 0.31 -1.03 -0.04 0.00 0.53 0.00 0.00 43.42 43.19 2kj6 n LEU 72 CO 0.24 -0.33 0.16 -0.24 -1.11 0.00 0.00 177.39 176.11 2kj6 n SER 73 N -0.24 1.43 0.04 1.96 2.88 -1.26 -4.25 113.62 114.19 2kj6 n SER 73 Ca 0.00 -1.22 0.11 0.00 -1.33 0.00 0.00 58.87 56.44 2kj6 n SER 73 Cb 0.12 0.67 0.01 0.00 -0.75 0.00 0.00 64.21 64.26 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 -0.57 0.60 0.04 -3.46 5.75 -1.26 -4.26 116.55 113.39 2kj6 n ASP 74 Ca 0.06 -0.10 0.03 0.00 -0.01 0.00 0.00 54.79 54.78 2kj6 n ASP 74 Cb 0.35 0.80 0.41 0.00 -1.03 0.00 0.00 41.12 41.65 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 0.39 -0.54 -1.12 2.03 -1.96 -1.53 116.42 113.69 2kj6 h ASP 75 Ca 0.00 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 2kj6 h ASP 75 Cb 0.79 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.19 2kj6 h ASP 75 CO 0.00 0.37 0.00 -1.54 -1.03 0.00 0.00 179.24 177.04 2kj6 n SER 76 N -4.41 3.52 -4.51 4.15 3.41 -1.26 -0.79 113.62 113.73 2kj6 n SER 76 Ca 0.02 -2.05 -0.24 0.00 -0.26 0.00 0.00 58.87 56.34 2kj6 n SER 76 Cb 0.14 -0.38 -0.09 0.00 -0.26 0.00 0.00 64.21 63.62 2kj6 n SER 76 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2kj6 s ARG 77 N -1.09 1.82 -0.22 4.33 1.81 -0.58 -5.00 118.95 120.02 2kj6 s ARG 77 Ca 0.37 -1.68 -0.29 0.00 -1.72 0.00 0.00 55.73 52.42 2kj6 s ARG 77 Cb 0.20 -1.87 -0.06 0.00 -0.45 0.00 0.00 34.95 32.77 2kj6 s ARG 77 CO 0.24 0.34 2.22 -2.30 -0.68 0.00 0.00 175.30 175.12 2kj6 n PRO 78 N -0.65 1.90 0.23 3.54 -0.02 -1.26 -4.69 135.00 134.06 2kj6 n PRO 78 Ca -0.06 0.52 0.14 0.00 -2.02 0.00 0.00 63.50 62.09 2kj6 n PRO 78 Cb 0.60 -3.16 0.79 0.00 -0.02 0.00 0.00 33.50 31.71 2kj6 n PRO 78 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2kj6 h LEU 79 N 14.70 0.00 -0.03 2.45 5.85 -1.80 0.18 115.31 136.67 2kj6 h LEU 79 Ca -0.40 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2kj6 h LEU 79 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2kj6 h LEU 79 CO 0.97 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 179.68 2kj6 n GLY 80 N -1.44 -1.27 0.14 3.75 0.00 0.44 -0.57 105.19 106.24 2kj6 n GLY 80 Ca -0.01 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 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 0.77 0.08 1.61 3.57 -0.92 -3.33 116.94 118.72 2kj6 h PHE 81 Ca 0.00 -0.50 -0.25 0.00 3.53 0.00 0.00 57.97 60.76 2kj6 h PHE 81 Cb 0.39 -0.05 0.02 0.00 2.79 0.00 0.00 35.95 39.10 2kj6 h PHE 81 CO 0.00 1.36 -1.01 0.35 -2.23 0.00 0.00 178.31 176.77 2kj6 h PHE 82 N -0.04 0.86 -4.29 0.41 3.57 -1.58 -3.50 116.94 112.37 2kj6 h PHE 82 Ca -0.15 -0.53 0.00 0.00 3.53 0.00 0.00 57.97 60.82 2kj6 h PHE 82 Cb 1.71 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.37 2kj6 h PHE 82 CO 0.15 1.37 -0.66 0.45 -2.23 0.00 0.00 178.31 177.39 2kj6 n SER 83 N -3.95 -5.05 -4.64 0.41 2.88 0.26 -5.07 113.62 98.47 2kj6 n SER 83 Ca -0.13 0.88 -0.24 0.00 -1.33 0.00 0.00 58.87 58.05 2kj6 n SER 83 Cb 0.88 -3.66 0.11 0.00 -0.75 0.00 0.00 64.21 60.79 2kj6 n SER 83 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2kj6 s PRO 84 N -0.97 1.62 0.61 -1.46 0.04 -1.26 -5.08 135.00 128.50 2kj6 s PRO 84 Ca -0.03 -0.98 0.04 0.00 0.04 0.00 0.00 61.00 60.07 2kj6 s PRO 84 Cb 0.00 -2.28 0.09 0.00 0.04 0.00 0.00 34.50 32.35 2kj6 s PRO 84 CO 0.48 -1.52 0.85 -0.06 0.04 0.00 0.00 177.00 176.80 2kj6 s PHE 85 N -3.21 1.86 -1.13 0.56 0.08 -1.26 -5.02 117.98 109.85 2kj6 s PHE 85 Ca 0.66 -0.39 0.23 0.00 0.12 0.00 0.00 56.93 57.55 2kj6 s PHE 85 Cb -0.06 -2.64 0.15 0.00 -0.57 0.00 0.00 43.02 39.90 2kj6 s PHE 85 CO 0.45 -1.26 1.16 -0.40 -0.10 0.00 0.00 175.22 175.07 2kj6 n ASP 86 N -2.46 0.88 -3.66 1.36 5.75 -1.26 -4.53 116.55 112.64 2kj6 n ASP 86 Ca 0.13 -0.74 -0.41 0.00 -0.01 0.00 0.00 54.79 53.77 2kj6 n ASP 86 Cb 0.61 0.60 0.00 0.00 -1.03 0.00 0.00 41.12 41.30 2kj6 n ASP 86 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kj6 n GLY 87 N 1.48 5.10 2.99 6.12 0.00 -1.26 -3.53 105.19 116.10 2kj6 n GLY 87 Ca 0.06 -2.13 -0.16 0.00 0.00 0.00 0.00 46.02 43.78 2kj6 n GLY 87 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kj6 s PHE 88 N -0.86 0.60 -0.25 1.61 0.08 -1.26 -1.77 117.98 116.12 2kj6 s PHE 88 Ca 0.47 -0.16 -0.05 0.00 0.12 0.00 0.00 56.93 57.30 2kj6 s PHE 88 Cb 0.14 -0.38 -0.00 0.00 -0.57 0.00 0.00 43.02 42.21 2kj6 s PHE 88 CO -0.05 -0.02 0.01 1.03 -0.10 0.00 0.00 175.22 176.10 2kj6 s ARG 89 N -0.36 3.28 -0.98 0.44 0.52 0.20 -2.21 118.95 119.84 2kj6 s ARG 89 Ca 0.01 -0.71 -0.24 0.00 -0.52 0.00 0.00 55.73 54.27 2kj6 s ARG 89 Cb -0.04 -3.17 0.03 0.00 0.52 0.00 0.00 34.95 32.29 2kj6 s ARG 89 CO -0.00 -0.29 1.51 -0.51 0.02 0.00 0.00 175.30 176.03 2kj6 s LEU 90 N 1.49 3.43 -0.74 2.53 1.43 0.13 -2.24 118.68 124.71 2kj6 s LEU 90 Ca 0.04 -1.25 -0.23 0.00 -1.03 0.00 0.00 54.13 51.66 2kj6 s LEU 90 Cb -0.16 -2.57 0.07 0.00 0.03 0.00 0.00 46.19 43.57 2kj6 s LEU 90 CO -0.00 -1.72 1.09 -2.28 0.23 0.00 0.00 176.35 173.67 2kj6 s HIS 91 N 5.80 2.64 -0.20 0.29 2.46 0.16 -0.03 115.29 126.43 2kj6 s HIS 91 Ca 0.49 -0.59 -0.29 0.00 0.47 0.00 0.00 55.06 55.14 2kj6 s HIS 91 Cb -0.02 -4.39 -0.04 0.00 -0.13 0.00 0.00 32.58 28.00 2kj6 s HIS 91 CO -0.07 -1.74 1.80 0.42 -2.47 0.00 0.00 174.74 172.68 2kj6 s ILE 92 N 4.28 3.45 -0.72 0.89 1.01 0.41 -0.35 121.20 130.17 2kj6 s ILE 92 Ca 0.28 0.50 -0.16 0.00 0.00 0.00 0.00 60.65 61.27 2kj6 s ILE 92 Cb -0.12 -3.48 0.16 0.00 0.01 0.00 0.00 42.46 39.03 2kj6 s ILE 92 CO 0.07 -0.22 0.73 -0.63 0.00 0.00 0.00 174.94 174.89 2kj6 s ILE 93 N 5.87 5.24 -0.47 2.92 -1.09 0.94 -3.21 121.20 131.39 2kj6 s ILE 93 Ca 0.80 -1.81 -0.19 0.00 -2.23 0.00 0.00 60.65 57.22 2kj6 s ILE 93 Cb -0.29 -4.48 0.04 0.00 -1.58 0.00 0.00 42.46 36.16 2kj6 s ILE 93 CO 0.33 -1.06 0.57 1.51 -1.23 0.00 0.00 174.94 175.05 2kj6 s ASP 94 N 3.02 6.24 0.00 3.58 1.47 -1.26 -1.84 116.67 127.87 2kj6 s ASP 94 Ca 0.14 -0.72 0.00 0.00 1.18 0.00 0.00 52.55 53.16 2kj6 s ASP 94 Cb -0.18 -2.28 0.00 0.00 -0.34 0.00 0.00 42.92 40.13 2kj6 s ASP 94 CO -0.03 -0.77 0.42 0.18 0.68 0.00 0.00 175.17 175.65 2kj6 n LEU 95 N 6.01 0.61 -3.98 2.11 4.77 -1.19 -4.83 117.00 120.50 2kj6 n LEU 95 Ca -0.06 0.55 -0.27 0.00 -0.03 0.00 0.00 56.01 56.21 2kj6 n LEU 95 Cb 0.46 -0.28 -0.17 0.00 -2.33 0.00 0.00 43.42 41.11 2kj6 n LEU 95 CO 0.52 -0.28 -0.46 1.51 -1.33 0.00 0.00 177.39 177.35 2kj6 s ASP 96 N -2.05 2.15 0.00 -1.43 -4.77 -1.26 -5.18 116.67 104.13 2kj6 s ASP 96 Ca 0.00 -0.34 0.26 0.00 -3.30 0.00 0.00 52.55 49.17 2kj6 s ASP 96 Cb 0.00 -0.91 1.58 0.00 -1.09 0.00 0.00 42.92 42.50 2kj6 s ASP 96 CO 0.00 -0.04 1.93 -2.65 0.70 0.00 0.00 175.17 175.11