#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk6 n SER 2 N 0.00 1.87 0.06 1.61 2.88 -1.26 -4.35 113.62 114.43 2dk6 n SER 2 Ca 0.00 0.30 -0.13 0.00 -1.33 0.00 0.00 58.87 57.72 2dk6 n SER 2 Cb 0.00 -0.76 -0.09 0.00 -0.75 0.00 0.00 64.21 62.61 2dk6 n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dk6 h SER 3 N -0.90 -0.15 -3.22 -3.46 0.87 -2.10 -3.36 113.55 101.23 2dk6 h SER 3 Ca -0.67 -0.34 -0.76 0.00 -1.23 0.00 0.00 61.79 58.80 2dk6 h SER 3 Cb 1.60 0.04 -0.31 0.00 -0.44 0.00 0.00 62.40 63.28 2dk6 h SER 3 CO -0.39 0.29 0.28 0.61 -0.53 0.00 0.00 176.83 177.08 2dk6 n GLY 4 N 0.06 4.47 2.06 5.77 0.00 -1.26 -4.87 105.19 111.41 2dk6 n GLY 4 Ca -0.09 -2.63 -0.21 0.00 0.00 0.00 0.00 46.02 43.10 2dk6 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dk6 n SER 5 N 2.08 6.60 -3.94 1.61 2.88 -1.26 -3.72 113.62 117.87 2dk6 n SER 5 Ca 0.24 -3.17 -0.25 0.00 -1.33 0.00 0.00 58.87 54.36 2dk6 n SER 5 Cb 0.37 -1.09 -0.17 0.00 -0.75 0.00 0.00 64.21 62.58 2dk6 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dk6 s SER 6 N 0.02 1.94 0.00 -3.46 0.15 -1.26 -4.90 113.70 106.19 2dk6 s SER 6 Ca 0.40 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.77 2dk6 s SER 6 Cb 0.30 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 2dk6 s SER 6 CO -0.05 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 174.93 2dk6 n GLY 7 N 4.54 0.80 2.85 9.45 0.00 -1.26 -5.11 105.19 116.47 2dk6 n GLY 7 Ca -0.16 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 2dk6 n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dk6 s ASN 8 N -1.64 4.27 -0.28 1.61 -0.87 -1.26 -5.09 114.94 111.67 2dk6 s ASN 8 Ca 0.00 -2.06 -0.18 0.00 -1.57 0.00 0.00 52.86 49.05 2dk6 s ASN 8 Cb 0.00 -1.22 -0.02 0.00 -0.02 0.00 0.00 41.25 39.99 2dk6 s ASN 8 CO 0.00 -0.37 0.53 -1.61 -2.57 0.00 0.00 177.10 173.08 2dk6 s GLU 9 N 1.06 3.97 0.35 -0.60 8.01 -1.26 -4.95 118.70 125.28 2dk6 s GLU 9 Ca 0.12 0.24 0.10 0.00 0.01 0.00 0.00 54.97 55.44 2dk6 s GLU 9 Cb -0.19 -3.69 0.87 0.00 -4.31 0.00 0.00 34.13 26.81 2dk6 s GLU 9 CO -0.14 -0.43 1.80 0.28 0.01 0.00 0.00 175.26 176.78 2dk6 h VAL 10 N 5.46 0.69 -2.10 2.63 2.07 -1.99 -3.41 116.25 119.60 2dk6 h VAL 10 Ca -0.28 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2dk6 h VAL 10 Cb 1.13 -0.00 -0.22 0.00 -1.52 0.00 0.00 31.29 30.69 2dk6 h VAL 10 CO 0.74 0.12 0.02 -1.81 0.02 0.00 0.00 177.57 176.65 2dk6 s ASP 11 N -5.48 -0.81 1.05 0.57 1.01 -1.26 -5.01 116.67 106.75 2dk6 s ASP 11 Ca -0.10 1.40 -0.22 0.00 0.71 0.00 0.00 52.55 54.34 2dk6 s ASP 11 Cb 0.24 1.33 -0.02 0.00 1.01 0.00 0.00 42.92 45.48 2dk6 s ASP 11 CO 0.80 -0.23 -0.67 -0.90 0.21 0.00 0.00 175.17 174.37 2dk6 n ASP 12 N 3.66 -2.67 -2.09 0.27 5.75 -1.26 -4.92 116.55 115.29 2dk6 n ASP 12 Ca -0.18 -0.09 -0.25 0.00 -0.01 0.00 0.00 54.79 54.26 2dk6 n ASP 12 Cb 0.57 -0.74 0.02 0.00 -1.03 0.00 0.00 41.12 39.95 2dk6 n ASP 12 CO 0.00 0.00 0.00 1.15 -0.11 0.00 0.00 177.20 178.24 2dk6 n MET 13 N -0.01 3.54 -3.79 0.11 0.00 -1.26 -4.89 117.12 110.83 2dk6 n MET 13 Ca -0.00 -4.15 -0.28 0.00 0.00 0.00 0.00 57.70 53.27 2dk6 n MET 13 Cb 0.66 -2.28 -0.12 0.00 0.00 0.00 0.00 33.22 31.49 2dk6 n MET 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2dk6 s ASP 14 N -3.48 4.09 0.10 3.17 1.01 -1.26 -5.07 116.67 115.24 2dk6 s ASP 14 Ca 0.52 -3.69 -0.19 0.00 0.71 0.00 0.00 52.55 49.89 2dk6 s ASP 14 Cb 0.41 -1.38 0.04 0.00 1.01 0.00 0.00 42.92 43.01 2dk6 s ASP 14 CO 0.01 -0.10 0.46 0.42 0.21 0.00 0.00 175.17 176.17 2dk6 s THR 15 N -1.14 0.05 -0.03 -1.27 -4.23 -1.26 -5.07 115.64 102.69 2dk6 s THR 15 Ca 0.27 -0.39 -0.25 0.00 -1.18 0.00 0.00 61.69 60.14 2dk6 s THR 15 Cb -0.02 -1.07 -0.19 0.00 1.34 0.00 0.00 72.50 72.55 2dk6 s THR 15 CO -0.17 -0.21 1.18 -1.28 -0.54 0.00 0.00 174.62 173.59 2dk6 h SER 16 N 2.47 -0.08 -3.10 3.99 0.87 -2.02 -3.40 113.55 112.27 2dk6 h SER 16 Ca -0.33 -0.43 -0.56 0.00 -1.23 0.00 0.00 61.79 59.24 2dk6 h SER 16 Cb 1.25 0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 63.15 2dk6 h SER 16 CO 0.44 0.41 0.92 -1.81 -0.53 0.00 0.00 176.83 176.26 2dk6 s ASP 17 N -5.58 6.40 -0.20 6.23 1.11 -1.26 -4.97 116.67 118.40 2dk6 s ASP 17 Ca -0.15 -0.03 -0.13 0.00 0.18 0.00 0.00 52.55 52.42 2dk6 s ASP 17 Cb 0.01 -2.54 0.06 0.00 1.07 0.00 0.00 42.92 41.53 2dk6 s ASP 17 CO 0.62 -1.48 0.51 -0.89 1.18 0.00 0.00 175.17 175.10 2dk6 s THR 18 N 4.89 -0.01 -0.06 -1.27 2.01 -1.26 -4.87 115.64 115.06 2dk6 s THR 18 Ca 0.40 0.05 -0.21 0.00 0.31 0.00 0.00 61.69 62.24 2dk6 s THR 18 Cb -0.08 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.65 2dk6 s THR 18 CO 0.23 0.02 0.61 -1.10 -0.69 0.00 0.00 174.62 173.69 2dk6 s GLN 19 N 1.24 4.38 -0.24 4.92 -0.21 -1.26 -5.06 119.66 123.43 2dk6 s GLN 19 Ca -0.08 0.72 -0.10 0.00 0.02 0.00 0.00 55.36 55.92 2dk6 s GLN 19 Cb -0.07 -3.41 -0.05 0.00 1.00 0.00 0.00 33.01 30.48 2dk6 s GLN 19 CO -0.12 0.18 0.14 -1.58 -2.12 0.00 0.00 175.29 171.79 2dk6 s TRP 20 N 0.47 3.26 0.31 0.91 0.52 -1.26 -2.81 118.94 120.34 2dk6 s TRP 20 Ca 0.32 0.11 0.09 0.00 0.02 0.00 0.00 56.10 56.65 2dk6 s TRP 20 Cb -0.17 -2.26 -0.05 0.00 -1.15 0.00 0.00 33.47 29.84 2dk6 s TRP 20 CO 0.16 -0.01 -0.00 0.20 0.02 0.00 0.00 176.95 177.31 2dk6 s GLY 21 N 1.16 1.89 0.01 0.98 0.00 0.18 -4.87 107.32 106.67 2dk6 s GLY 21 Ca 0.07 -1.83 0.01 0.00 0.00 0.00 0.00 44.72 42.97 2dk6 s GLY 21 CO 0.05 -1.83 0.03 -0.98 0.00 0.00 0.00 173.10 170.38 2dk6 s TRP 22 N -2.44 3.15 0.04 1.90 0.52 -1.26 -0.74 118.94 120.11 2dk6 s TRP 22 Ca 0.33 0.12 -0.02 0.00 0.02 0.00 0.00 56.10 56.55 2dk6 s TRP 22 Cb -0.03 -1.68 -0.03 0.00 -1.15 0.00 0.00 33.47 30.58 2dk6 s TRP 22 CO 0.19 0.50 0.00 -0.06 0.02 0.00 0.00 176.95 177.60 2dk6 s PHE 23 N -1.16 0.35 -0.04 -1.98 0.40 0.24 -2.53 117.98 113.27 2dk6 s PHE 23 Ca 0.22 -0.75 -0.00 0.00 -0.60 0.00 0.00 56.93 55.79 2dk6 s PHE 23 Cb -0.12 -0.26 0.03 0.00 0.51 0.00 0.00 43.02 43.18 2dk6 s PHE 23 CO 0.13 -0.31 0.01 1.52 0.70 0.00 0.00 175.22 177.26 2dk6 s TYR 24 N -2.77 0.40 0.50 0.36 1.13 -0.70 -1.39 117.35 114.89 2dk6 s TYR 24 Ca -0.04 -0.02 -0.22 0.00 -1.41 0.00 0.00 57.07 55.39 2dk6 s TYR 24 Cb -0.00 -0.55 -0.07 0.00 -1.10 0.00 0.00 41.96 40.23 2dk6 s TYR 24 CO -0.06 -0.20 1.10 -0.11 -2.51 0.00 0.00 175.55 173.77 2dk6 n LEU 25 N 4.62 3.72 -4.73 -3.49 7.94 0.18 -1.48 117.00 123.76 2dk6 n LEU 25 Ca -0.17 0.96 -0.24 0.00 -1.11 0.00 0.00 56.01 55.45 2dk6 n LEU 25 Cb 0.50 -1.43 -0.07 0.00 0.53 0.00 0.00 43.42 42.95 2dk6 n LEU 25 CO 0.16 -1.31 -0.18 0.00 -1.11 0.00 0.00 177.39 174.95 2dk6 s ALA 26 N -1.35 3.53 0.19 1.96 0.00 -1.18 -4.68 121.76 120.22 2dk6 s ALA 26 Ca 0.68 -1.98 -0.09 0.00 0.00 0.00 0.00 51.96 50.57 2dk6 s ALA 26 Cb -0.47 -0.53 0.11 0.00 0.00 0.00 0.00 23.12 22.22 2dk6 s ALA 26 CO 0.52 -0.07 1.72 1.49 0.00 0.00 0.00 175.76 179.43 2dk6 h GLU 27 N 1.50 1.08 -0.42 0.00 4.22 -1.95 -2.50 114.58 116.51 2dk6 h GLU 27 Ca -0.43 -0.24 0.07 0.00 0.08 0.00 0.00 59.36 58.83 2dk6 h GLU 27 Cb 1.25 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 2dk6 h GLU 27 CO 0.66 0.94 0.28 0.00 -2.18 0.00 0.00 179.01 178.72 2dk6 n GLY 29 N -1.53 3.39 3.74 0.00 0.00 -0.94 -5.10 105.19 104.74 2dk6 n GLY 29 Ca 0.06 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 2dk6 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk6 s LYS 30 N 0.00 4.73 0.37 1.61 1.02 -1.26 -4.56 119.74 121.64 2dk6 s LYS 30 Ca 0.00 1.50 -0.26 0.00 0.02 0.00 0.00 55.97 57.23 2dk6 s LYS 30 Cb 0.00 -3.34 -0.09 0.00 -0.52 0.00 0.00 37.83 33.88 2dk6 s LYS 30 CO 0.00 0.27 1.12 -1.58 -0.92 0.00 0.00 175.35 174.24 2dk6 s TRP 31 N -0.33 3.23 -0.12 3.18 0.52 -1.26 -3.13 118.94 121.03 2dk6 s TRP 31 Ca 0.46 1.61 0.03 0.00 0.02 0.00 0.00 56.10 58.22 2dk6 s TRP 31 Cb -0.25 -3.30 0.00 0.00 -1.15 0.00 0.00 33.47 28.78 2dk6 s TRP 31 CO 0.31 -0.97 -0.23 -1.01 0.02 0.00 0.00 176.95 175.07 2dk6 s HIS 32 N -1.43 2.62 0.52 -1.98 3.76 -0.55 -4.91 115.29 113.32 2dk6 s HIS 32 Ca 0.54 -1.17 -0.22 0.00 -0.15 0.00 0.00 55.06 54.06 2dk6 s HIS 32 Cb -0.29 -1.76 -0.06 0.00 1.11 0.00 0.00 32.58 31.58 2dk6 s HIS 32 CO 0.36 -0.50 1.27 1.41 -0.85 0.00 0.00 174.74 176.43 2dk6 s MET 33 N 0.56 3.37 0.74 1.40 1.75 -1.26 -1.72 119.30 124.13 2dk6 s MET 33 Ca -0.13 2.03 -0.14 0.00 -1.25 0.00 0.00 55.69 56.20 2dk6 s MET 33 Cb -0.17 -2.29 0.04 0.00 2.84 0.00 0.00 34.83 35.25 2dk6 s MET 33 CO 0.04 -0.94 1.14 -0.06 -0.65 0.00 0.00 175.02 174.55 2dk6 s PHE 34 N -1.41 2.29 0.05 4.11 0.40 -1.05 -4.89 117.98 117.47 2dk6 s PHE 34 Ca 0.69 1.60 0.01 0.00 -0.60 0.00 0.00 56.93 58.63 2dk6 s PHE 34 Cb -0.35 -3.27 -0.03 0.00 0.51 0.00 0.00 43.02 39.88 2dk6 s PHE 34 CO 0.42 -2.17 -0.06 -0.65 0.70 0.00 0.00 175.22 173.46 2dk6 s GLN 35 N -4.24 0.54 0.80 0.44 -1.52 -1.25 -4.56 119.66 109.86 2dk6 s GLN 35 Ca 0.68 -0.89 -0.11 0.00 -1.95 0.00 0.00 55.36 53.10 2dk6 s GLN 35 Cb -0.23 -0.11 0.07 0.00 -0.22 0.00 0.00 33.01 32.52 2dk6 s GLN 35 CO 0.47 -0.01 1.09 -1.25 -0.25 0.00 0.00 175.29 175.35 2dk6 s PRO 36 N -2.26 2.07 -0.93 2.91 0.04 -1.22 -3.43 135.00 132.18 2dk6 s PRO 36 Ca -0.05 1.11 -0.14 0.00 0.04 0.00 0.00 61.00 61.95 2dk6 s PRO 36 Cb -0.05 -1.88 -0.28 0.00 0.04 0.00 0.00 34.50 32.33 2dk6 s PRO 36 CO -0.02 -1.75 2.22 -0.40 0.04 0.00 0.00 177.00 177.09 2dk6 n ASP 37 N -3.59 -0.47 -3.92 6.66 5.75 0.21 -3.83 116.55 117.35 2dk6 n ASP 37 Ca 0.09 -0.85 -0.09 0.00 -0.01 0.00 0.00 54.79 53.93 2dk6 n ASP 37 Cb 0.53 -0.88 -0.08 0.00 -1.03 0.00 0.00 41.12 39.66 2dk6 n ASP 37 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 2dk6 s THR 38 N 4.62 0.15 0.31 2.12 -1.32 -1.26 -4.86 115.64 115.40 2dk6 s THR 38 Ca 1.19 -1.26 0.07 0.00 -1.21 0.00 0.00 61.69 60.48 2dk6 s THR 38 Cb -0.62 -1.22 0.30 0.00 -1.51 0.00 0.00 72.50 69.46 2dk6 s THR 38 CO 0.41 -0.69 1.75 0.78 -2.21 0.00 0.00 174.62 174.66 2dk6 h ASN 39 N 3.14 0.72 0.00 8.08 4.21 -1.97 3.02 115.58 132.79 2dk6 h ASN 39 Ca -0.33 0.12 0.00 0.00 1.21 0.00 0.00 56.30 57.29 2dk6 h ASN 39 Cb 1.18 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 2dk6 h ASN 39 CO 0.56 0.20 0.00 -0.24 -1.29 0.00 0.00 177.43 176.65 2dk6 n SER 40 N -4.83 0.00 -0.07 5.81 2.88 -1.26 -4.28 113.62 111.87 2dk6 n SER 40 Ca 0.25 0.71 -0.20 0.00 -1.33 0.00 0.00 58.87 58.30 2dk6 n SER 40 Cb 0.64 -0.21 -0.13 0.00 -0.75 0.00 0.00 64.21 63.76 2dk6 n SER 40 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2dk6 n GLN 41 N -1.47 0.69 -3.02 -1.46 -0.06 -1.12 -5.03 117.38 105.92 2dk6 n GLN 41 Ca 0.00 0.22 -0.13 0.00 -2.00 0.00 0.00 57.00 55.09 2dk6 n GLN 41 Cb 0.00 -1.61 0.06 0.00 -4.06 0.00 0.00 30.24 24.63 2dk6 n GLN 41 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2dk6 s SER 43 N -3.70 0.41 0.42 0.00 0.15 -1.24 -4.76 113.70 104.98 2dk6 s SER 43 Ca 0.18 -1.28 -0.24 0.00 0.70 0.00 0.00 55.95 55.31 2dk6 s SER 43 Cb -0.02 0.76 -0.08 0.00 -1.71 0.00 0.00 66.02 64.96 2dk6 s SER 43 CO 0.59 -1.49 1.13 0.68 1.20 0.00 0.00 173.24 175.35 2dk6 s VAL 44 N -2.73 3.30 0.64 4.45 -7.23 -1.23 0.64 120.40 118.23 2dk6 s VAL 44 Ca 0.22 1.01 -0.11 0.00 -1.81 0.00 0.00 61.98 61.29 2dk6 s VAL 44 Cb -0.03 -3.53 -0.03 0.00 0.56 0.00 0.00 36.38 33.35 2dk6 s VAL 44 CO 0.15 0.03 1.04 -0.44 -0.31 0.00 0.00 175.10 175.57 2dk6 s SER 45 N -1.35 6.06 0.39 4.85 0.01 -1.22 -3.97 113.70 118.48 2dk6 s SER 45 Ca 0.60 1.35 0.21 0.00 1.31 0.00 0.00 55.95 59.42 2dk6 s SER 45 Cb -0.27 -2.35 1.20 0.00 0.21 0.00 0.00 66.02 64.81 2dk6 s SER 45 CO 0.34 -0.97 1.69 0.77 0.41 0.00 0.00 173.24 175.48 2dk6 h SER 46 N -0.39 0.40 0.00 2.44 4.64 -1.88 -2.08 113.55 116.69 2dk6 h SER 46 Ca -0.44 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2dk6 h SER 46 Cb 1.20 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2dk6 h SER 46 CO 0.62 -0.07 0.00 1.21 -0.87 0.00 0.00 176.83 177.73 2dk6 n GLU 47 N -4.78 0.00 -0.23 4.77 4.07 -1.26 -0.14 120.64 123.08 2dk6 n GLU 47 Ca 0.31 0.64 -0.09 0.00 -0.06 0.00 0.00 57.16 57.96 2dk6 n GLU 47 Cb 1.09 -1.48 -0.08 0.00 -0.06 0.00 0.00 31.44 30.92 2dk6 n GLU 47 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 2dk6 h ASP 48 N 0.00 -1.56 -0.24 4.31 1.82 -1.75 0.21 116.42 119.20 2dk6 h ASP 48 Ca 0.00 0.23 0.04 0.00 -0.39 0.00 0.00 57.03 56.90 2dk6 h ASP 48 Cb 0.00 0.67 -0.07 0.00 0.68 0.00 0.00 39.33 40.61 2dk6 h ASP 48 CO 0.00 -0.23 -0.54 0.40 -1.61 0.00 0.00 179.24 177.26 2dk6 h ILE 49 N -0.13 0.00 -0.67 2.25 2.04 -1.47 -1.01 117.51 118.52 2dk6 h ILE 49 Ca 0.09 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.10 2dk6 h ILE 49 Cb 0.37 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.34 2dk6 h ILE 49 CO -0.61 0.00 -0.02 -0.08 0.00 0.00 0.00 178.15 177.44 2dk6 h GLU 50 N -0.50 0.09 -0.57 2.37 4.22 0.36 0.13 114.58 120.68 2dk6 h GLU 50 Ca 0.05 -0.01 0.11 0.00 0.08 0.00 0.00 59.36 59.59 2dk6 h GLU 50 Cb 0.64 -0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.78 2dk6 h GLU 50 CO -0.49 0.06 0.11 -0.22 -2.18 0.00 0.00 179.01 176.29 2dk6 h LYS 51 N 0.10 0.23 -0.25 1.92 3.64 0.62 -0.31 116.57 122.53 2dk6 h LYS 51 Ca 0.35 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.61 2dk6 h LYS 51 Cb 0.59 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 2dk6 h LYS 51 CO -0.60 0.16 -0.31 0.77 -2.27 0.00 0.00 179.45 177.20 2dk6 h SER 52 N 0.24 0.53 0.08 4.20 0.02 0.06 -2.76 113.55 115.91 2dk6 h SER 52 Ca 0.30 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2dk6 h SER 52 Cb 0.43 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2dk6 h SER 52 CO -0.39 0.81 -0.14 0.15 -1.14 0.00 0.00 176.83 176.12 2dk6 h PHE 53 N 0.44 0.13 0.52 3.45 3.57 0.75 0.52 116.94 126.33 2dk6 h PHE 53 Ca 0.05 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 2dk6 h PHE 53 Cb 0.76 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 39.47 2dk6 h PHE 53 CO 0.03 0.27 -0.25 0.87 -2.23 0.00 0.00 178.31 176.99 2dk6 h LYS 54 N 0.13 -0.68 -0.50 1.11 1.57 -0.87 0.96 116.57 118.29 2dk6 h LYS 54 Ca 0.03 0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2dk6 h LYS 54 Cb 0.32 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2dk6 h LYS 54 CO 0.02 -0.45 0.10 0.00 -0.57 0.00 0.00 179.45 178.55 2dk6 h THR 55 N -0.75 1.22 -2.69 -0.16 1.03 -1.58 -3.32 112.91 106.67 2dk6 h THR 55 Ca -0.07 -0.83 -0.61 0.00 -0.01 0.00 0.00 66.41 64.89 2dk6 h THR 55 Cb 0.54 0.73 -0.41 0.00 -1.07 0.00 0.00 68.15 67.94 2dk6 h THR 55 CO 0.12 0.30 -0.66 0.59 -0.01 0.00 0.00 175.52 175.86 2dk6 n ASN 56 N -4.27 2.61 0.18 0.00 4.13 0.17 -4.91 115.26 113.17 2dk6 n ASN 56 Ca 0.03 -3.14 0.03 0.00 1.68 0.00 0.00 54.58 53.18 2dk6 n ASN 56 Cb 0.24 -0.70 0.32 0.00 -1.54 0.00 0.00 39.78 38.09 2dk6 n ASN 56 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2dk6 h PRO 57 N 5.01 0.00 -0.44 3.52 0.13 -0.91 -3.12 132.00 136.20 2dk6 h PRO 57 Ca 0.17 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 65.01 2dk6 h PRO 57 Cb 0.75 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.68 2dk6 h PRO 57 CO 0.69 0.43 -0.42 0.00 -0.23 0.00 0.00 178.00 178.47 2dk6 n GLY 59 N -0.96 4.24 3.56 0.00 0.00 -1.18 -4.20 105.19 106.66 2dk6 n GLY 59 Ca 0.35 -1.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.02 2dk6 n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dk6 s SER 60 N 0.89 -0.63 -0.32 1.61 1.04 -1.26 -0.83 113.70 114.21 2dk6 s SER 60 Ca 0.00 0.85 -0.01 0.00 0.48 0.00 0.00 55.95 57.27 2dk6 s SER 60 Cb 0.00 0.74 0.06 0.00 0.10 0.00 0.00 66.02 66.92 2dk6 s SER 60 CO 0.00 -0.47 0.03 -0.51 0.98 0.00 0.00 173.24 173.27 2dk6 s ILE 61 N -0.74 2.95 -0.23 -1.02 2.07 0.62 -4.93 121.20 119.92 2dk6 s ILE 61 Ca -0.06 -1.55 -0.21 0.00 -1.41 0.00 0.00 60.65 57.42 2dk6 s ILE 61 Cb -0.01 -2.77 -0.02 0.00 0.13 0.00 0.00 42.46 39.78 2dk6 s ILE 61 CO 0.06 -0.22 0.63 -0.94 -1.91 0.00 0.00 174.94 172.57 2dk6 s SER 62 N 1.31 6.63 -0.07 4.50 1.04 -1.26 -2.22 113.70 123.64 2dk6 s SER 62 Ca -0.03 0.77 -0.04 0.00 0.48 0.00 0.00 55.95 57.13 2dk6 s SER 62 Cb -0.20 -2.34 0.03 0.00 0.10 0.00 0.00 66.02 63.60 2dk6 s SER 62 CO -0.02 -0.33 0.16 0.72 0.98 0.00 0.00 173.24 174.74 2dk6 s PHE 63 N 2.27 -0.18 -0.25 5.02 -0.12 -0.63 -5.03 117.98 119.06 2dk6 s PHE 63 Ca 0.27 0.48 -0.03 0.00 -0.05 0.00 0.00 56.93 57.60 2dk6 s PHE 63 Cb -0.16 -0.01 0.01 0.00 -0.63 0.00 0.00 43.02 42.24 2dk6 s PHE 63 CO 0.09 -0.13 -0.04 0.95 -0.05 0.00 0.00 175.22 176.04 2dk6 s THR 64 N 0.67 3.15 0.08 -4.49 -4.23 -1.26 -1.51 115.64 108.06 2dk6 s THR 64 Ca -0.05 -0.82 -0.20 0.00 -1.18 0.00 0.00 61.69 59.44 2dk6 s THR 64 Cb -0.07 -2.55 -0.07 0.00 1.34 0.00 0.00 72.50 71.16 2dk6 s THR 64 CO -0.03 0.26 0.61 0.42 -0.54 0.00 0.00 174.62 175.33 2dk6 s THR 65 N 1.39 4.68 0.61 3.99 -4.23 0.24 -4.91 115.64 117.41 2dk6 s THR 65 Ca 0.02 1.31 0.26 0.00 -1.18 0.00 0.00 61.69 62.10 2dk6 s THR 65 Cb -0.16 -3.94 0.38 0.00 1.34 0.00 0.00 72.50 70.12 2dk6 s THR 65 CO -0.03 0.54 1.30 -1.28 -0.54 0.00 0.00 174.62 174.60 2dk6 h SER 66 N 4.56 0.00 0.00 3.99 0.87 -1.99 0.24 113.55 121.22 2dk6 h SER 66 Ca -0.49 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.05 2dk6 h SER 66 Cb 1.21 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2dk6 h SER 66 CO 0.64 0.00 -0.28 0.50 -0.53 0.00 0.00 176.83 177.16 2dk6 h LYS 67 N 0.00 0.00 -3.96 2.24 3.64 -1.91 -3.50 116.57 113.09 2dk6 h LYS 67 Ca 0.48 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.65 2dk6 h LYS 67 Cb 2.91 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 34.65 2dk6 h LYS 67 CO -0.01 0.18 -0.16 -0.06 -2.27 0.00 0.00 179.45 177.13 2dk6 s PHE 68 N -1.92 0.85 0.08 1.91 0.08 0.84 -5.16 117.98 114.65 2dk6 s PHE 68 Ca -0.09 -1.14 0.02 0.00 0.12 0.00 0.00 56.93 55.83 2dk6 s PHE 68 Cb 0.01 0.02 -0.04 0.00 -0.57 0.00 0.00 43.02 42.44 2dk6 s PHE 68 CO 0.19 -1.12 0.15 -1.12 -0.10 0.00 0.00 175.22 173.22 2dk6 s SER 69 N -3.18 5.91 -0.15 1.36 0.01 -1.26 0.81 113.70 117.21 2dk6 s SER 69 Ca 0.28 0.11 -0.19 0.00 1.31 0.00 0.00 55.95 57.46 2dk6 s SER 69 Cb -0.00 -1.70 0.05 0.00 0.21 0.00 0.00 66.02 64.57 2dk6 s SER 69 CO 0.17 0.16 0.51 -0.31 0.41 0.00 0.00 173.24 174.18 2dk6 s TYR 70 N -1.48 -0.53 -0.30 2.43 2.02 -0.57 -3.81 117.35 115.12 2dk6 s TYR 70 Ca 0.32 1.20 -0.02 0.00 -0.37 0.00 0.00 57.07 58.20 2dk6 s TYR 70 Cb -0.12 0.21 0.10 0.00 -0.40 0.00 0.00 41.96 41.75 2dk6 s TYR 70 CO 0.25 -0.34 0.11 0.21 -1.57 0.00 0.00 175.55 174.21 2dk6 s LYS 71 N -0.16 0.56 -0.49 -0.62 2.20 -0.97 -1.61 119.74 118.65 2dk6 s LYS 71 Ca -0.03 -0.91 -0.25 0.00 -0.36 0.00 0.00 55.97 54.42 2dk6 s LYS 71 Cb -0.03 -1.76 0.03 0.00 -1.51 0.00 0.00 37.83 34.56 2dk6 s LYS 71 CO 0.02 -0.99 0.94 0.42 -0.36 0.00 0.00 175.35 175.38 2dk6 s ILE 72 N 1.76 4.43 -0.70 5.43 1.01 -0.94 -0.01 121.20 132.18 2dk6 s ILE 72 Ca 0.09 0.60 -0.20 0.00 0.00 0.00 0.00 60.65 61.15 2dk6 s ILE 72 Cb -0.17 -4.48 0.11 0.00 0.01 0.00 0.00 42.46 37.93 2dk6 s ILE 72 CO -0.28 -0.94 0.88 -1.81 0.00 0.00 0.00 174.94 172.78 2dk6 s ASP 73 N 2.47 6.32 0.17 3.58 1.11 -0.84 -0.27 116.67 129.21 2dk6 s ASP 73 Ca 0.35 -1.53 -0.14 0.00 0.18 0.00 0.00 52.55 51.41 2dk6 s ASP 73 Cb -0.11 -2.35 0.14 0.00 1.07 0.00 0.00 42.92 41.67 2dk6 s ASP 73 CO 0.24 -1.16 1.71 -0.26 1.18 0.00 0.00 175.17 176.88 2dk6 h PHE 74 N 9.13 0.09 -0.94 4.23 0.04 -1.38 0.13 116.94 128.24 2dk6 h PHE 74 Ca -0.17 0.03 0.20 0.00 2.80 0.00 0.00 57.97 60.84 2dk6 h PHE 74 Cb 1.07 0.03 -0.11 0.00 2.20 0.00 0.00 35.95 39.13 2dk6 h PHE 74 CO 0.96 -0.03 0.51 0.00 -0.60 0.00 0.00 178.31 179.15 2dk6 h ALA 75 N 1.35 1.55 0.00 2.45 0.00 -1.05 0.49 119.26 124.05 2dk6 h ALA 75 Ca 0.22 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2dk6 h ALA 75 Cb 0.29 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2dk6 h ALA 75 CO -0.31 -0.20 -0.28 0.93 0.00 0.00 0.00 179.25 179.39 2dk6 h GLU 76 N 0.58 0.00 -5.22 0.00 5.08 -1.46 -3.48 114.58 110.08 2dk6 h GLU 76 Ca 0.57 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.60 2dk6 h GLU 76 Cb 0.98 0.00 0.13 0.00 0.50 0.00 0.00 28.75 30.36 2dk6 h GLU 76 CO -0.44 0.00 -0.63 -1.33 -1.00 0.00 0.00 179.01 175.60 2dk6 n MET 77 N -2.41 -6.45 -3.56 2.33 2.81 0.17 -5.00 117.12 105.01 2dk6 n MET 77 Ca 0.04 0.74 -0.10 0.00 -1.81 0.00 0.00 57.70 56.57 2dk6 n MET 77 Cb 0.46 -5.46 -0.02 0.00 -0.71 0.00 0.00 33.22 27.49 2dk6 n MET 77 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 2dk6 s LYS 78 N -5.70 1.30 -0.13 0.03 -2.85 -1.15 -3.06 119.74 108.18 2dk6 s LYS 78 Ca 0.27 -0.57 -0.15 0.00 -1.00 0.00 0.00 55.97 54.53 2dk6 s LYS 78 Cb -0.12 0.54 -0.05 0.00 -2.06 0.00 0.00 37.83 36.15 2dk6 s LYS 78 CO 0.64 -0.58 0.34 -1.14 0.10 0.00 0.00 175.35 174.71 2dk6 s GLN 79 N -3.64 4.18 -0.77 1.78 0.74 -0.18 -1.99 119.66 119.79 2dk6 s GLN 79 Ca 0.05 0.21 -0.18 0.00 0.05 0.00 0.00 55.36 55.49 2dk6 s GLN 79 Cb -0.02 -3.38 0.14 0.00 1.10 0.00 0.00 33.01 30.84 2dk6 s GLN 79 CO -0.07 0.32 0.87 1.41 -0.55 0.00 0.00 175.29 177.27 2dk6 s MET 80 N 0.19 3.37 -0.33 1.67 -2.45 0.99 -3.56 119.30 119.19 2dk6 s MET 80 Ca 0.19 -1.73 -0.29 0.00 -1.25 0.00 0.00 55.69 52.61 2dk6 s MET 80 Cb -0.14 -4.52 0.00 0.00 1.25 0.00 0.00 34.83 31.42 2dk6 s MET 80 CO 0.07 -1.57 1.38 1.21 1.05 0.00 0.00 175.02 177.16 2dk6 s ASN 81 N 3.27 6.51 -0.25 1.11 3.84 -1.03 -2.30 114.94 126.10 2dk6 s ASN 81 Ca 0.21 1.13 0.02 0.00 0.21 0.00 0.00 52.86 54.43 2dk6 s ASN 81 Cb -0.14 -2.54 -0.18 0.00 -0.55 0.00 0.00 41.25 37.84 2dk6 s ASN 81 CO -0.03 -1.23 -0.18 0.18 -2.79 0.00 0.00 177.10 173.06 2dk6 n LEU 82 N 8.16 2.90 -0.34 3.21 4.77 -1.26 -1.65 117.00 132.80 2dk6 n LEU 82 Ca 0.16 -0.11 0.03 0.00 -0.03 0.00 0.00 56.01 56.06 2dk6 n LEU 82 Cb 0.47 -0.90 0.20 0.00 -2.33 0.00 0.00 43.42 40.85 2dk6 n LEU 82 CO 0.66 0.93 1.26 0.00 -1.33 0.00 0.00 177.39 178.91 2dk6 h THR 83 N 0.01 1.10 0.00 -5.08 1.03 -1.89 -3.15 112.91 104.92 2dk6 h THR 83 Ca -0.57 -0.39 -0.13 0.00 -0.01 0.00 0.00 66.41 65.32 2dk6 h THR 83 Cb 1.92 -0.13 -0.02 0.00 -1.07 0.00 0.00 68.15 68.84 2dk6 h THR 83 CO -0.07 0.21 -1.72 0.35 -0.01 0.00 0.00 175.52 174.27 2dk6 n THR 84 N -4.48 0.48 -0.85 0.00 -2.24 -1.26 -5.01 114.28 100.92 2dk6 n THR 84 Ca 0.14 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 2dk6 n THR 84 Cb 0.17 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 2dk6 n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dk6 n GLY 85 N 2.07 0.50 4.00 3.38 0.00 -0.66 -5.05 105.19 109.42 2dk6 n GLY 85 Ca -0.12 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 2dk6 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk6 s LYS 86 N -1.26 2.11 0.07 1.61 1.02 -1.17 -4.91 119.74 117.19 2dk6 s LYS 86 Ca 0.00 -1.14 0.05 0.00 0.02 0.00 0.00 55.97 54.91 2dk6 s LYS 86 Cb 0.00 -2.46 -0.03 0.00 -0.52 0.00 0.00 37.83 34.82 2dk6 s LYS 86 CO 0.00 -1.06 -0.15 -0.65 -0.92 0.00 0.00 175.35 172.57 2dk6 s GLN 87 N -4.90 0.87 -0.10 1.68 -0.21 -1.26 -2.46 119.66 113.28 2dk6 s GLN 87 Ca 0.62 -0.93 -0.19 0.00 0.02 0.00 0.00 55.36 54.88 2dk6 s GLN 87 Cb -0.07 -0.90 0.04 0.00 1.00 0.00 0.00 33.01 33.08 2dk6 s GLN 87 CO 0.41 0.21 0.47 -0.98 -2.12 0.00 0.00 175.29 173.28 2dk6 s ARG 88 N -1.62 0.71 0.47 2.91 1.70 -1.23 -5.04 118.95 116.85 2dk6 s ARG 88 Ca -0.01 0.30 -0.12 0.00 -0.47 0.00 0.00 55.73 55.44 2dk6 s ARG 88 Cb -0.10 0.33 -0.06 0.00 -0.57 0.00 0.00 34.95 34.56 2dk6 s ARG 88 CO 0.02 -0.16 0.86 -0.51 -1.08 0.00 0.00 175.30 174.43 2dk6 s LEU 89 N -0.58 3.68 0.40 -1.89 2.01 -1.26 -1.01 118.68 120.03 2dk6 s LEU 89 Ca -0.07 1.27 0.04 0.00 0.01 0.00 0.00 54.13 55.38 2dk6 s LEU 89 Cb -0.03 -4.20 -0.04 0.00 0.01 0.00 0.00 46.19 41.93 2dk6 s LEU 89 CO 0.04 -0.53 0.07 0.27 1.01 0.00 0.00 176.35 177.21 2dk6 s ILE 90 N -2.57 1.04 -0.12 -0.59 -4.36 -1.17 -0.65 121.20 112.77 2dk6 s ILE 90 Ca 0.53 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.63 2dk6 s ILE 90 Cb -0.10 -2.52 0.10 0.00 1.25 0.00 0.00 42.46 41.19 2dk6 s ILE 90 CO 0.35 0.00 0.85 -1.59 0.24 0.00 0.00 174.94 174.79 2dk6 s LYS 91 N -3.80 0.80 -0.35 0.37 -2.85 -0.49 -4.87 119.74 108.55 2dk6 s LYS 91 Ca 0.25 0.26 0.01 0.00 -1.00 0.00 0.00 55.97 55.50 2dk6 s LYS 91 Cb 0.05 0.38 0.10 0.00 -2.06 0.00 0.00 37.83 36.30 2dk6 s LYS 91 CO 0.13 -0.24 0.08 0.50 0.10 0.00 0.00 175.35 175.92 2dk6 s ARG 92 N -0.99 1.78 0.16 1.78 3.52 -1.26 -0.59 118.95 123.34 2dk6 s ARG 92 Ca -0.05 -1.77 0.05 0.00 -0.13 0.00 0.00 55.73 53.83 2dk6 s ARG 92 Cb -0.01 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 30.04 2dk6 s ARG 92 CO 0.05 -0.92 -0.11 0.00 -0.81 0.00 0.00 175.30 173.50 2dk6 s ALA 93 N 1.02 1.61 0.65 6.12 0.00 0.09 -4.90 121.76 126.35 2dk6 s ALA 93 Ca 0.07 -1.54 -0.15 0.00 0.00 0.00 0.00 51.96 50.34 2dk6 s ALA 93 Cb -0.20 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 2dk6 s ALA 93 CO -0.06 -0.05 1.11 -1.25 0.00 0.00 0.00 175.76 175.51 2dk6 s PRO 94 N -3.70 2.85 -0.52 0.00 0.04 -1.26 0.51 135.00 132.92 2dk6 s PRO 94 Ca 0.18 1.41 -0.35 0.00 0.04 0.00 0.00 61.00 62.29 2dk6 s PRO 94 Cb 0.02 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 32.46 2dk6 s PRO 94 CO 0.02 -1.21 2.31 1.19 0.04 0.00 0.00 177.00 179.35 2dk6 n PHE 95 N -2.32 1.30 -2.84 0.56 3.01 -1.12 -4.67 117.46 111.38 2dk6 n PHE 95 Ca 0.10 0.36 -0.44 0.00 1.01 0.00 0.00 57.45 58.48 2dk6 n PHE 95 Cb 0.52 -2.48 -0.00 0.00 -0.01 0.00 0.00 39.48 37.51 2dk6 n PHE 95 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2dk6 s SER 96 N 8.11 6.94 -0.30 4.37 0.01 -1.26 -4.84 113.70 126.73 2dk6 s SER 96 Ca 1.15 -2.69 -0.16 0.00 1.31 0.00 0.00 55.95 55.56 2dk6 s SER 96 Cb -0.95 -2.45 0.18 0.00 0.21 0.00 0.00 66.02 63.01 2dk6 s SER 96 CO 0.49 -0.92 1.10 -0.94 0.41 0.00 0.00 173.24 173.38 2dk6 s SER 97 N 3.35 -0.39 0.35 2.44 1.04 -1.26 -5.15 113.70 114.09 2dk6 s SER 97 Ca 0.45 0.45 0.00 0.00 0.48 0.00 0.00 55.95 57.33 2dk6 s SER 97 Cb -0.01 1.41 0.00 0.00 0.10 0.00 0.00 66.02 67.52 2dk6 s SER 97 CO 0.01 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.76 2dk6 n GLY 98 N 4.97 0.72 3.77 7.32 0.00 -1.26 -4.66 105.19 116.06 2dk6 n GLY 98 Ca -0.08 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.80 2dk6 n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dk6 s PRO 99 N 0.00 3.12 -0.56 1.61 0.04 -1.26 -4.84 135.00 133.11 2dk6 s PRO 99 Ca 0.00 1.51 0.04 0.00 0.04 0.00 0.00 61.00 62.59 2dk6 s PRO 99 Cb 0.00 -1.98 0.16 0.00 0.04 0.00 0.00 34.50 32.71 2dk6 s PRO 99 CO 0.00 -1.02 0.37 -1.54 0.04 0.00 0.00 177.00 174.85 2dk6 s SER 100 N -2.13 3.80 -0.29 6.66 1.04 -1.26 -5.05 113.70 116.48 2dk6 s SER 100 Ca 0.70 -3.28 -0.16 0.00 0.48 0.00 0.00 55.95 53.69 2dk6 s SER 100 Cb -0.22 -1.25 0.11 0.00 0.10 0.00 0.00 66.02 64.76 2dk6 s SER 100 CO 0.33 -0.17 0.81 -0.44 0.98 0.00 0.00 173.24 174.75 2dk6 s SER 101 N -0.56 -0.78 0.00 7.02 0.01 -1.26 -4.69 113.70 113.44 2dk6 s SER 101 Ca 0.24 1.23 0.32 0.00 1.31 0.00 0.00 55.95 59.04 2dk6 s SER 101 Cb -0.11 1.38 1.81 0.00 0.21 0.00 0.00 66.02 69.31 2dk6 s SER 101 CO -0.11 -0.19 2.17 0.61 0.41 0.00 0.00 173.24 176.13