#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk6 s SER 2 N 0.00 6.74 0.37 1.61 0.01 -1.26 -5.07 113.70 116.10 2dk6 s SER 2 Ca 0.00 0.88 0.04 0.00 1.31 0.00 0.00 55.95 58.18 2dk6 s SER 2 Cb 0.00 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 2dk6 s SER 2 CO 0.00 0.06 0.16 -0.55 0.41 0.00 0.00 173.24 173.32 2dk6 s SER 3 N 0.29 2.33 0.00 2.44 0.15 -1.26 -5.12 113.70 112.53 2dk6 s SER 3 Ca 0.26 -1.66 0.00 0.00 0.70 0.00 0.00 55.95 55.25 2dk6 s SER 3 Cb -0.16 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 2dk6 s SER 3 CO 0.12 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.23 2dk6 n GLY 4 N -0.79 0.02 3.59 9.45 0.00 -1.26 -5.17 105.19 111.04 2dk6 n GLY 4 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2dk6 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dk6 s SER 5 N -2.17 0.31 -0.42 1.61 0.15 -1.26 -5.10 113.70 106.83 2dk6 s SER 5 Ca 0.00 -1.18 -0.39 0.00 0.70 0.00 0.00 55.95 55.08 2dk6 s SER 5 Cb 0.00 0.66 -0.17 0.00 -1.71 0.00 0.00 66.02 64.81 2dk6 s SER 5 CO 0.00 -1.30 1.35 -1.20 1.20 0.00 0.00 173.24 173.29 2dk6 n SER 6 N -0.95 0.99 0.00 5.45 7.64 -1.26 -4.39 113.62 121.10 2dk6 n SER 6 Ca -0.02 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.83 2dk6 n SER 6 Cb 0.61 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 2dk6 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk6 n GLY 7 N 3.44 2.38 1.05 0.23 0.00 -1.26 -4.57 105.19 106.46 2dk6 n GLY 7 Ca 0.27 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2dk6 n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2dk6 n ASN 8 N -0.26 0.21 -3.66 1.61 4.13 -1.26 -4.87 115.26 111.15 2dk6 n ASN 8 Ca 0.00 0.03 -0.23 0.00 1.68 0.00 0.00 54.58 56.06 2dk6 n ASN 8 Cb 0.00 -0.06 0.06 0.00 -1.54 0.00 0.00 39.78 38.24 2dk6 n ASN 8 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2dk6 n GLU 9 N -3.08 -6.45 -0.12 3.52 4.71 -1.26 -4.87 120.64 113.09 2dk6 n GLU 9 Ca 0.00 0.73 0.03 0.00 -0.01 0.00 0.00 57.16 57.91 2dk6 n GLU 9 Cb 0.38 -5.64 0.33 0.00 -1.01 0.00 0.00 31.44 25.51 2dk6 n GLU 9 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 2dk6 h VAL 10 N -2.20 1.13 -1.35 2.62 2.07 -1.96 -2.32 116.25 114.24 2dk6 h VAL 10 Ca -0.59 -0.27 -0.70 0.00 0.82 0.00 0.00 66.70 65.96 2dk6 h VAL 10 Cb 1.36 0.27 -0.30 0.00 -1.52 0.00 0.00 31.29 31.10 2dk6 h VAL 10 CO 0.57 0.14 0.76 0.47 0.02 0.00 0.00 177.57 179.54 2dk6 n ASP 11 N -4.45 7.34 -1.96 0.57 9.92 -1.26 -4.46 116.55 122.25 2dk6 n ASP 11 Ca 0.06 -3.80 -0.05 0.00 -0.53 0.00 0.00 54.79 50.47 2dk6 n ASP 11 Cb 0.07 -0.95 0.06 0.00 -0.64 0.00 0.00 41.12 39.67 2dk6 n ASP 11 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2dk6 n ASP 12 N -0.75 2.47 -3.51 -2.24 2.03 -0.87 -5.06 116.55 108.61 2dk6 n ASP 12 Ca 0.58 -2.85 -0.15 0.00 0.52 0.00 0.00 54.79 52.89 2dk6 n ASP 12 Cb 0.53 -0.41 -0.05 0.00 -0.72 0.00 0.00 41.12 40.47 2dk6 n ASP 12 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2dk6 s MET 13 N -2.91 0.99 -0.21 -0.67 1.75 -1.26 -5.10 119.30 111.89 2dk6 s MET 13 Ca 0.37 0.07 -0.06 0.00 -1.25 0.00 0.00 55.69 54.83 2dk6 s MET 13 Cb 0.37 0.46 -0.03 0.00 2.84 0.00 0.00 34.83 38.48 2dk6 s MET 13 CO -0.05 -0.34 0.02 0.16 -0.65 0.00 0.00 175.02 174.16 2dk6 s ASP 14 N -1.53 4.95 0.06 1.11 1.47 -1.26 -5.09 116.67 116.38 2dk6 s ASP 14 Ca -0.06 -0.19 -0.19 0.00 1.18 0.00 0.00 52.55 53.29 2dk6 s ASP 14 Cb -0.00 -1.86 0.04 0.00 -0.34 0.00 0.00 42.92 40.76 2dk6 s ASP 14 CO 0.03 0.04 0.44 0.42 0.68 0.00 0.00 175.17 176.78 2dk6 s THR 15 N 1.16 0.05 -0.12 2.11 -4.23 -1.26 -5.08 115.64 108.28 2dk6 s THR 15 Ca 0.03 -0.42 -0.25 0.00 -1.18 0.00 0.00 61.69 59.87 2dk6 s THR 15 Cb -0.14 -0.99 -0.22 0.00 1.34 0.00 0.00 72.50 72.49 2dk6 s THR 15 CO 0.02 -0.23 0.76 0.77 -0.54 0.00 0.00 174.62 175.40 2dk6 h SER 16 N 2.85 -0.01 -1.59 3.99 4.64 -2.08 -3.43 113.55 117.92 2dk6 h SER 16 Ca -0.32 -0.79 -0.55 0.00 -0.47 0.00 0.00 61.79 59.67 2dk6 h SER 16 Cb 1.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2dk6 h SER 16 CO 0.43 0.84 1.56 -0.67 -0.87 0.00 0.00 176.83 178.12 2dk6 n ASP 17 N -4.68 2.55 -3.67 4.97 -0.08 -1.26 -4.90 116.55 109.49 2dk6 n ASP 17 Ca -0.09 -0.06 -0.10 0.00 -1.51 0.00 0.00 54.79 53.04 2dk6 n ASP 17 Cb 0.39 -1.49 -0.09 0.00 2.34 0.00 0.00 41.12 42.27 2dk6 n ASP 17 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2dk6 s THR 18 N 9.82 -0.01 -0.18 5.18 2.01 -1.26 -5.15 115.64 126.04 2dk6 s THR 18 Ca 1.03 0.03 -0.07 0.00 0.31 0.00 0.00 61.69 62.99 2dk6 s THR 18 Cb -0.40 -0.82 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 2dk6 s THR 18 CO 0.34 0.01 0.07 -1.10 -0.69 0.00 0.00 174.62 173.25 2dk6 s GLN 19 N 1.25 3.96 -0.23 4.92 -0.21 -1.26 -5.09 119.66 123.01 2dk6 s GLN 19 Ca -0.08 -0.33 -0.12 0.00 0.02 0.00 0.00 55.36 54.85 2dk6 s GLN 19 Cb -0.06 -3.22 -0.05 0.00 1.00 0.00 0.00 33.01 30.69 2dk6 s GLN 19 CO -0.13 0.30 0.22 -1.58 -2.12 0.00 0.00 175.29 171.98 2dk6 s TRP 20 N 0.31 3.33 0.22 0.91 0.52 -1.26 -2.87 118.94 120.10 2dk6 s TRP 20 Ca 0.04 0.33 0.07 0.00 0.02 0.00 0.00 56.10 56.55 2dk6 s TRP 20 Cb -0.12 -2.34 -0.04 0.00 -1.15 0.00 0.00 33.47 29.82 2dk6 s TRP 20 CO 0.00 0.04 0.13 0.20 0.02 0.00 0.00 176.95 177.35 2dk6 s GLY 21 N 1.06 1.55 0.27 0.98 0.00 0.38 -4.85 107.32 106.72 2dk6 s GLY 21 Ca 0.11 -1.40 0.09 0.00 0.00 0.00 0.00 44.72 43.51 2dk6 s GLY 21 CO 0.05 -1.43 0.09 -0.98 0.00 0.00 0.00 173.10 170.83 2dk6 s TRP 22 N -2.03 2.84 0.12 1.90 0.52 -1.26 0.62 118.94 121.66 2dk6 s TRP 22 Ca 0.32 -0.21 -0.19 0.00 0.02 0.00 0.00 56.10 56.04 2dk6 s TRP 22 Cb -0.08 -1.33 0.05 0.00 -1.15 0.00 0.00 33.47 30.96 2dk6 s TRP 22 CO 0.23 0.54 0.48 -0.06 0.02 0.00 0.00 176.95 178.17 2dk6 s PHE 23 N -2.27 -0.35 -0.09 -1.98 0.40 0.62 -3.27 117.98 111.03 2dk6 s PHE 23 Ca 0.33 0.12 -0.04 0.00 -0.60 0.00 0.00 56.93 56.74 2dk6 s PHE 23 Cb -0.06 0.37 0.05 0.00 0.51 0.00 0.00 43.02 43.88 2dk6 s PHE 23 CO 0.22 -0.74 0.20 1.52 0.70 0.00 0.00 175.22 177.12 2dk6 s TYR 24 N -3.57 -0.27 0.29 0.36 -0.85 -1.13 -0.64 117.35 111.55 2dk6 s TYR 24 Ca 0.01 0.70 -0.27 0.00 -0.52 0.00 0.00 57.07 56.99 2dk6 s TYR 24 Cb 0.01 -0.09 -0.14 0.00 0.38 0.00 0.00 41.96 42.11 2dk6 s TYR 24 CO -0.11 -0.26 0.90 -0.11 -1.52 0.00 0.00 175.55 174.45 2dk6 n LEU 25 N 4.80 1.22 -4.88 -3.49 7.94 0.14 -2.64 117.00 120.08 2dk6 n LEU 25 Ca -0.15 1.14 -0.25 0.00 -1.11 0.00 0.00 56.01 55.64 2dk6 n LEU 25 Cb 0.51 -1.23 -0.02 0.00 0.53 0.00 0.00 43.42 43.21 2dk6 n LEU 25 CO 0.10 -1.77 0.01 0.00 -1.11 0.00 0.00 177.39 174.62 2dk6 s ALA 26 N -1.10 4.25 -0.40 1.96 0.00 -0.32 -4.65 121.76 121.51 2dk6 s ALA 26 Ca 0.60 -1.50 0.26 0.00 0.00 0.00 0.00 51.96 51.32 2dk6 s ALA 26 Cb -0.72 -0.74 0.83 0.00 0.00 0.00 0.00 23.12 22.49 2dk6 s ALA 26 CO 0.59 -0.37 1.76 1.05 0.00 0.00 0.00 175.76 178.79 2dk6 h GLU 27 N 0.89 0.00 0.00 0.00 4.11 -1.94 -2.90 114.58 114.74 2dk6 h GLU 27 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.05 2dk6 h GLU 27 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2dk6 h GLU 27 CO 0.59 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.67 2dk6 n GLY 29 N 0.80 2.83 3.92 0.00 0.00 -1.09 -5.02 105.19 106.63 2dk6 n GLY 29 Ca 0.21 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 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 1.73 0.10 1.61 1.02 -1.26 -4.65 119.74 118.29 2dk6 s LYS 30 Ca 0.00 -0.18 -0.03 0.00 0.02 0.00 0.00 55.97 55.78 2dk6 s LYS 30 Cb 0.00 -2.01 -0.05 0.00 -0.52 0.00 0.00 37.83 35.25 2dk6 s LYS 30 CO 0.00 -1.66 0.30 -1.58 -0.92 0.00 0.00 175.35 171.49 2dk6 s TRP 31 N -3.52 3.50 -0.09 3.18 0.52 -1.26 -1.18 118.94 120.08 2dk6 s TRP 31 Ca 0.64 0.44 0.02 0.00 0.02 0.00 0.00 56.10 57.22 2dk6 s TRP 31 Cb -0.09 -1.91 0.01 0.00 -1.15 0.00 0.00 33.47 30.33 2dk6 s TRP 31 CO 0.48 0.51 -0.15 -1.01 0.02 0.00 0.00 176.95 176.80 2dk6 s HIS 32 N -1.57 1.87 0.36 -1.98 3.76 -1.08 -4.89 115.29 111.75 2dk6 s HIS 32 Ca 0.38 -0.80 -0.27 0.00 -0.15 0.00 0.00 55.06 54.21 2dk6 s HIS 32 Cb -0.13 -1.34 -0.12 0.00 1.11 0.00 0.00 32.58 32.11 2dk6 s HIS 32 CO 0.25 -0.40 1.29 -0.12 -0.85 0.00 0.00 174.74 174.91 2dk6 n MET 33 N 3.97 2.09 -1.74 1.40 1.56 -1.26 -2.84 117.12 120.30 2dk6 n MET 33 Ca -0.20 0.73 -0.42 0.00 -0.27 0.00 0.00 57.70 57.54 2dk6 n MET 33 Cb 0.52 -2.35 -0.01 0.00 2.15 0.00 0.00 33.22 33.53 2dk6 n MET 33 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 2dk6 n PHE 34 N 0.20 2.77 -3.71 1.12 3.72 -1.20 -4.92 117.46 115.44 2dk6 n PHE 34 Ca 0.05 0.35 -0.12 0.00 -0.05 0.00 0.00 57.45 57.68 2dk6 n PHE 34 Cb 0.37 -2.55 -0.07 0.00 -0.94 0.00 0.00 39.48 36.29 2dk6 n PHE 34 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2dk6 s GLN 35 N -1.04 0.89 -0.02 -1.08 -0.21 -1.26 -3.91 119.66 113.03 2dk6 s GLN 35 Ca 0.61 -0.50 -0.30 0.00 0.02 0.00 0.00 55.36 55.19 2dk6 s GLN 35 Cb -0.51 0.39 -0.05 0.00 1.00 0.00 0.00 33.01 33.83 2dk6 s GLN 35 CO 0.54 -0.30 1.47 -1.25 -2.12 0.00 0.00 175.29 173.62 2dk6 s PRO 36 N -2.75 4.25 0.00 2.91 0.04 -1.26 -4.77 135.00 133.41 2dk6 s PRO 36 Ca -0.04 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2dk6 s PRO 36 Cb -0.00 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.85 2dk6 s PRO 36 CO -0.04 -0.67 0.99 -3.47 0.04 0.00 0.00 177.00 173.85 2dk6 n ASP 37 N 5.91 0.00 -3.21 6.66 -0.08 -1.26 -4.79 116.55 119.78 2dk6 n ASP 37 Ca 0.14 0.99 -0.11 0.00 -1.51 0.00 0.00 54.79 54.30 2dk6 n ASP 37 Cb 0.43 -0.49 -0.01 0.00 2.34 0.00 0.00 41.12 43.39 2dk6 n ASP 37 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2dk6 s THR 38 N -2.96 0.00 0.13 5.18 -4.23 -1.26 -4.95 115.64 107.54 2dk6 s THR 38 Ca 0.00 -1.29 -0.26 0.00 -1.18 0.00 0.00 61.69 58.97 2dk6 s THR 38 Cb 0.00 -2.67 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 2dk6 s THR 38 CO 0.00 0.00 1.63 0.78 -0.54 0.00 0.00 174.62 176.49 2dk6 h ASN 39 N 2.07 -0.80 -2.79 3.99 4.21 -1.98 -2.66 115.58 117.62 2dk6 h ASN 39 Ca -0.29 0.11 -0.53 0.00 1.21 0.00 0.00 56.30 56.80 2dk6 h ASN 39 Cb 1.25 0.33 0.04 0.00 -1.12 0.00 0.00 38.32 38.82 2dk6 h ASN 39 CO 0.38 -0.33 0.91 -0.55 -1.29 0.00 0.00 177.43 176.56 2dk6 s SER 40 N -4.90 6.57 -1.55 5.81 0.15 -1.26 -2.78 113.70 115.74 2dk6 s SER 40 Ca -0.15 2.62 -0.18 0.00 0.70 0.00 0.00 55.95 58.94 2dk6 s SER 40 Cb 0.09 -2.59 0.18 0.00 -1.71 0.00 0.00 66.02 62.00 2dk6 s SER 40 CO 0.66 -0.85 0.46 0.00 1.20 0.00 0.00 173.24 174.71 2dk6 n GLN 41 N 4.21 -0.77 -1.41 5.44 1.13 -1.26 -4.12 117.38 120.60 2dk6 n GLN 41 Ca 0.14 0.11 -0.48 0.00 -1.94 0.00 0.00 57.00 54.84 2dk6 n GLN 41 Cb 0.38 -3.85 -0.03 0.00 0.11 0.00 0.00 30.24 26.86 2dk6 n GLN 41 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dk6 n SER 43 N 1.97 -2.35 -4.69 0.00 2.88 -1.26 -4.86 113.62 105.31 2dk6 n SER 43 Ca 0.18 -1.11 -0.41 0.00 -1.33 0.00 0.00 58.87 56.20 2dk6 n SER 43 Cb 0.25 -0.97 -0.04 0.00 -0.75 0.00 0.00 64.21 62.70 2dk6 n SER 43 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2dk6 s VAL 44 N -2.81 4.92 0.53 2.46 -7.23 -1.26 -4.63 120.40 112.38 2dk6 s VAL 44 Ca 0.68 1.70 -0.12 0.00 -1.81 0.00 0.00 61.98 62.43 2dk6 s VAL 44 Cb -0.07 -4.16 -0.06 0.00 0.56 0.00 0.00 36.38 32.65 2dk6 s VAL 44 CO 0.53 0.12 0.94 -0.44 -0.31 0.00 0.00 175.10 175.94 2dk6 s SER 45 N 1.01 6.42 0.31 4.85 0.01 -1.26 -4.53 113.70 120.51 2dk6 s SER 45 Ca 0.42 1.36 0.20 0.00 1.31 0.00 0.00 55.95 59.24 2dk6 s SER 45 Cb -0.18 -2.43 1.08 0.00 0.21 0.00 0.00 66.02 64.71 2dk6 s SER 45 CO 0.18 -0.66 1.20 -1.54 0.41 0.00 0.00 173.24 172.83 2dk6 n SER 46 N -2.04 0.22 0.41 2.44 3.41 -1.25 0.85 113.62 117.65 2dk6 n SER 46 Ca 0.05 1.17 -0.18 0.00 -0.26 0.00 0.00 58.87 59.64 2dk6 n SER 46 Cb 0.54 -0.57 -0.09 0.00 -0.26 0.00 0.00 64.21 63.83 2dk6 n SER 46 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2dk6 h GLU 47 N 0.00 -0.97 -0.15 4.33 4.81 -1.93 -2.16 114.58 118.51 2dk6 h GLU 47 Ca 0.66 0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.98 2dk6 h GLU 47 Cb 1.94 0.22 -0.03 0.00 0.63 0.00 0.00 28.75 31.50 2dk6 h GLU 47 CO -0.48 -0.64 -0.25 -0.44 -0.73 0.00 0.00 179.01 176.47 2dk6 h ASP 48 N -1.03 -0.81 -0.77 1.04 5.19 0.11 0.25 116.42 120.40 2dk6 h ASP 48 Ca -0.10 0.10 0.11 0.00 -0.62 0.00 0.00 57.03 56.52 2dk6 h ASP 48 Cb 0.78 0.33 -0.13 0.00 0.18 0.00 0.00 39.33 40.49 2dk6 h ASP 48 CO 0.17 -0.19 -0.44 0.40 -3.12 0.00 0.00 179.24 176.07 2dk6 h ILE 49 N -0.20 0.05 -0.69 0.35 5.03 -1.55 0.27 117.51 120.77 2dk6 h ILE 49 Ca 0.03 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 64.86 2dk6 h ILE 49 Cb 0.27 0.05 -0.07 0.00 -3.03 0.00 0.00 36.82 34.05 2dk6 h ILE 49 CO -0.24 0.00 0.33 -0.08 -0.68 0.00 0.00 178.15 177.48 2dk6 h GLU 50 N -0.12 0.54 -0.29 2.37 4.81 -0.75 0.63 114.58 121.78 2dk6 h GLU 50 Ca 0.23 -0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.51 2dk6 h GLU 50 Cb 0.55 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2dk6 h GLU 50 CO -0.82 0.36 0.20 0.87 -0.73 0.00 0.00 179.01 178.89 2dk6 h LYS 51 N 0.56 0.03 0.12 1.92 1.57 0.30 -2.01 116.57 119.06 2dk6 h LYS 51 Ca 0.34 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.12 2dk6 h LYS 51 Cb 0.38 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2dk6 h LYS 51 CO -0.28 0.02 -0.06 1.03 -0.57 0.00 0.00 179.45 179.59 2dk6 h SER 52 N 0.03 -0.14 -0.79 0.86 0.87 0.33 -3.28 113.55 111.44 2dk6 h SER 52 Ca 0.13 0.00 0.23 0.00 -1.23 0.00 0.00 61.79 60.93 2dk6 h SER 52 Cb 0.50 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 2dk6 h SER 52 CO -0.01 0.15 0.88 0.15 -0.53 0.00 0.00 176.83 177.48 2dk6 h PHE 53 N -0.66 0.00 -0.26 2.24 3.04 -1.23 0.95 116.94 121.02 2dk6 h PHE 53 Ca -0.02 0.00 0.06 0.00 3.98 0.00 0.00 57.97 61.99 2dk6 h PHE 53 Cb 0.12 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 38.57 2dk6 h PHE 53 CO 0.02 0.00 -0.13 0.87 -2.02 0.00 0.00 178.31 177.04 2dk6 h LYS 54 N 0.00 -0.10 0.17 1.11 1.79 -1.42 -0.43 116.57 117.68 2dk6 h LYS 54 Ca 0.38 0.01 -0.35 0.00 -2.18 0.00 0.00 60.65 58.51 2dk6 h LYS 54 Cb 2.14 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.81 2dk6 h LYS 54 CO -0.00 -0.07 -1.74 0.00 -1.08 0.00 0.00 179.45 176.56 2dk6 h THR 55 N -0.10 0.94 -3.04 -0.16 1.03 -1.00 -3.41 112.91 107.17 2dk6 h THR 55 Ca 0.14 -2.55 -0.62 0.00 -0.01 0.00 0.00 66.41 63.37 2dk6 h THR 55 Cb 0.31 2.73 -0.41 0.00 -1.07 0.00 0.00 68.15 69.71 2dk6 h THR 55 CO -0.33 0.85 -0.62 0.54 -0.01 0.00 0.00 175.52 175.95 2dk6 s ASN 56 N -7.20 4.40 0.53 0.00 4.22 -0.70 -4.92 114.94 111.28 2dk6 s ASN 56 Ca -0.15 -3.66 0.32 0.00 -2.14 0.00 0.00 52.86 47.23 2dk6 s ASN 56 Cb 0.06 -1.50 1.33 0.00 1.28 0.00 0.00 41.25 42.43 2dk6 s ASN 56 CO 0.85 -0.11 1.98 1.55 -2.04 0.00 0.00 177.10 179.32 2dk6 h PRO 57 N 5.57 0.00 -0.36 3.55 0.13 -1.32 -3.00 132.00 136.56 2dk6 h PRO 57 Ca 0.13 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 65.00 2dk6 h PRO 57 Cb 0.79 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.72 2dk6 h PRO 57 CO 0.67 0.05 -0.58 0.00 -0.23 0.00 0.00 178.00 177.91 2dk6 n GLY 59 N -0.94 2.74 3.57 0.00 0.00 -1.13 -4.21 105.19 105.22 2dk6 n GLY 59 Ca 0.31 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 0.67 -0.53 -0.25 1.61 1.04 -1.26 -1.15 113.70 113.83 2dk6 s SER 60 Ca 0.00 0.70 -0.02 0.00 0.48 0.00 0.00 55.95 57.11 2dk6 s SER 60 Cb 0.00 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.74 2dk6 s SER 60 CO 0.00 -0.41 -0.05 -0.51 0.98 0.00 0.00 173.24 173.25 2dk6 s ILE 61 N -0.79 2.93 -0.34 -1.02 2.07 -0.55 -4.94 121.20 118.56 2dk6 s ILE 61 Ca -0.04 -0.99 -0.13 0.00 -1.41 0.00 0.00 60.65 58.07 2dk6 s ILE 61 Cb -0.01 -2.49 -0.02 0.00 0.13 0.00 0.00 42.46 40.07 2dk6 s ILE 61 CO 0.04 0.20 0.24 -0.94 -1.91 0.00 0.00 174.94 172.57 2dk6 s SER 62 N 1.34 6.05 0.15 4.50 1.04 -1.26 -1.79 113.70 123.72 2dk6 s SER 62 Ca 0.00 -0.44 0.04 0.00 0.48 0.00 0.00 55.95 56.03 2dk6 s SER 62 Cb -0.17 -2.14 -0.04 0.00 0.10 0.00 0.00 66.02 63.77 2dk6 s SER 62 CO -0.04 -0.24 -0.08 0.72 0.98 0.00 0.00 173.24 174.57 2dk6 s PHE 63 N 1.72 1.23 0.14 5.02 -0.12 -0.83 -5.05 117.98 120.09 2dk6 s PHE 63 Ca 0.06 -0.81 0.06 0.00 -0.05 0.00 0.00 56.93 56.19 2dk6 s PHE 63 Cb -0.17 -0.65 -0.04 0.00 -0.63 0.00 0.00 43.02 41.53 2dk6 s PHE 63 CO 0.10 0.02 -0.14 0.95 -0.05 0.00 0.00 175.22 176.11 2dk6 s THR 64 N -3.40 1.38 0.17 -4.49 -4.23 -1.26 -1.96 115.64 101.85 2dk6 s THR 64 Ca 0.17 -1.82 0.03 0.00 -1.18 0.00 0.00 61.69 58.89 2dk6 s THR 64 Cb 0.03 -1.64 -0.01 0.00 1.34 0.00 0.00 72.50 72.22 2dk6 s THR 64 CO 0.01 -0.47 0.17 0.35 -0.54 0.00 0.00 174.62 174.13 2dk6 n THR 65 N 0.33 0.00 -1.00 3.99 -2.24 -0.57 -4.70 114.28 110.08 2dk6 n THR 65 Ca -0.14 -1.19 -0.27 0.00 -2.27 0.00 0.00 64.05 60.18 2dk6 n THR 65 Cb 0.58 0.62 -0.10 0.00 -2.10 0.00 0.00 70.33 69.32 2dk6 n THR 65 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2dk6 n SER 66 N -2.24 0.13 -4.06 3.42 7.64 -1.25 0.50 113.62 117.75 2dk6 n SER 66 Ca 0.03 0.09 -0.28 0.00 1.01 0.00 0.00 58.87 59.73 2dk6 n SER 66 Cb 0.31 -0.60 -0.08 0.00 -1.01 0.00 0.00 64.21 62.82 2dk6 n SER 66 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2dk6 n LYS 67 N 5.58 -0.92 -3.88 1.43 2.85 -1.26 -4.89 118.16 117.07 2dk6 n LYS 67 Ca 0.44 0.08 -0.09 0.00 -1.05 0.00 0.00 58.31 57.69 2dk6 n LYS 67 Cb 0.02 -3.19 -0.06 0.00 -0.65 0.00 0.00 35.03 31.15 2dk6 n LYS 67 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2dk6 s PHE 68 N -4.03 0.22 0.02 5.58 0.08 0.18 -5.05 117.98 114.99 2dk6 s PHE 68 Ca 0.09 -0.59 0.02 0.00 0.12 0.00 0.00 56.93 56.57 2dk6 s PHE 68 Cb -0.05 0.04 -0.02 0.00 -0.57 0.00 0.00 43.02 42.42 2dk6 s PHE 68 CO 0.86 -0.72 -0.06 -1.12 -0.10 0.00 0.00 175.22 174.08 2dk6 s SER 69 N -2.92 0.72 -0.17 1.36 0.01 -1.26 -1.51 113.70 109.93 2dk6 s SER 69 Ca 0.12 -0.37 -0.14 0.00 1.31 0.00 0.00 55.95 56.87 2dk6 s SER 69 Cb 0.03 0.00 0.05 0.00 0.21 0.00 0.00 66.02 66.31 2dk6 s SER 69 CO -0.04 -0.11 0.44 -0.31 0.41 0.00 0.00 173.24 173.64 2dk6 s TYR 70 N -0.90 -0.52 -0.25 2.43 2.02 -0.83 -3.02 117.35 116.27 2dk6 s TYR 70 Ca -0.06 1.23 -0.01 0.00 -0.37 0.00 0.00 57.07 57.86 2dk6 s TYR 70 Cb -0.07 0.20 0.07 0.00 -0.40 0.00 0.00 41.96 41.76 2dk6 s TYR 70 CO 0.00 -0.26 0.02 0.21 -1.57 0.00 0.00 175.55 173.95 2dk6 s LYS 71 N 0.52 1.06 -0.68 -0.62 2.20 0.27 -1.96 119.74 120.54 2dk6 s LYS 71 Ca -0.02 -0.90 -0.19 0.00 -0.36 0.00 0.00 55.97 54.50 2dk6 s LYS 71 Cb -0.04 -2.31 0.12 0.00 -1.51 0.00 0.00 37.83 34.08 2dk6 s LYS 71 CO -0.03 -0.75 0.80 0.42 -0.36 0.00 0.00 175.35 175.44 2dk6 s ILE 72 N 1.57 4.84 -0.41 5.43 1.01 -0.74 0.11 121.20 133.01 2dk6 s ILE 72 Ca 0.01 -1.18 -0.28 0.00 0.00 0.00 0.00 60.65 59.20 2dk6 s ILE 72 Cb -0.18 -4.55 0.02 0.00 0.01 0.00 0.00 42.46 37.76 2dk6 s ILE 72 CO -0.12 -1.21 1.08 -1.81 0.00 0.00 0.00 174.94 172.87 2dk6 s ASP 73 N 3.48 6.74 -0.01 3.58 1.01 -0.51 -1.48 116.67 129.48 2dk6 s ASP 73 Ca 0.17 0.67 -0.25 0.00 0.71 0.00 0.00 52.55 53.85 2dk6 s ASP 73 Cb -0.19 -2.53 -0.19 0.00 1.01 0.00 0.00 42.92 41.02 2dk6 s ASP 73 CO 0.03 -1.06 1.26 -0.26 0.21 0.00 0.00 175.17 175.35 2dk6 h PHE 74 N 8.71 0.12 -0.95 4.23 0.04 -1.40 -0.43 116.94 127.25 2dk6 h PHE 74 Ca -0.22 -0.04 0.22 0.00 2.80 0.00 0.00 57.97 60.73 2dk6 h PHE 74 Cb 1.06 -0.02 -0.08 0.00 2.20 0.00 0.00 35.95 39.11 2dk6 h PHE 74 CO 0.90 0.59 0.62 0.00 -0.60 0.00 0.00 178.31 179.83 2dk6 h ALA 75 N 0.51 2.18 -0.02 2.45 0.00 -1.51 0.59 119.26 123.46 2dk6 h ALA 75 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2dk6 h ALA 75 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2dk6 h ALA 75 CO 0.01 -0.50 -0.25 0.39 0.00 0.00 0.00 179.25 178.89 2dk6 n GLU 76 N -4.55 1.33 -3.95 0.00 -0.58 -1.19 -4.97 120.64 106.73 2dk6 n GLU 76 Ca 0.21 -0.97 -0.30 0.00 -0.42 0.00 0.00 57.16 55.69 2dk6 n GLU 76 Cb 0.74 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 30.12 2dk6 n GLU 76 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2dk6 n MET 77 N 0.01 -2.24 -3.57 3.49 2.81 0.21 -4.96 117.12 112.86 2dk6 n MET 77 Ca 0.13 0.34 -0.17 0.00 -1.81 0.00 0.00 57.70 56.19 2dk6 n MET 77 Cb 0.43 -4.12 -0.07 0.00 -0.71 0.00 0.00 33.22 28.76 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 -6.62 0.97 -0.53 0.03 -2.85 -0.72 -3.42 119.74 106.60 2dk6 s LYS 78 Ca 0.16 0.28 -0.19 0.00 -1.00 0.00 0.00 55.97 55.22 2dk6 s LYS 78 Cb -0.07 0.46 0.08 0.00 -2.06 0.00 0.00 37.83 36.23 2dk6 s LYS 78 CO 0.90 -0.28 0.62 -1.14 0.10 0.00 0.00 175.35 175.56 2dk6 s GLN 79 N -1.02 3.08 -0.37 1.78 0.74 0.13 -1.43 119.66 122.57 2dk6 s GLN 79 Ca -0.10 -1.09 -0.29 0.00 0.05 0.00 0.00 55.36 53.93 2dk6 s GLN 79 Cb -0.01 -4.16 0.02 0.00 1.10 0.00 0.00 33.01 29.95 2dk6 s GLN 79 CO 0.08 -1.30 1.20 1.41 -0.55 0.00 0.00 175.29 176.13 2dk6 s MET 80 N 2.52 3.85 0.14 1.67 -2.45 0.30 -2.31 119.30 123.03 2dk6 s MET 80 Ca 0.12 0.95 -0.23 0.00 -1.25 0.00 0.00 55.69 55.29 2dk6 s MET 80 Cb -0.22 -3.87 -0.08 0.00 1.25 0.00 0.00 34.83 31.92 2dk6 s MET 80 CO 0.09 -1.20 0.70 1.21 1.05 0.00 0.00 175.02 176.88 2dk6 s ASN 81 N 2.53 7.25 -0.08 1.11 2.47 -0.01 -0.56 114.94 127.65 2dk6 s ASN 81 Ca 0.51 1.50 -0.03 0.00 0.42 0.00 0.00 52.86 55.26 2dk6 s ASN 81 Cb -0.12 -2.44 -0.03 0.00 -1.45 0.00 0.00 41.25 37.20 2dk6 s ASN 81 CO 0.25 0.21 -0.09 0.18 -3.72 0.00 0.00 177.10 173.93 2dk6 n LEU 82 N 1.53 0.93 -0.33 3.21 7.99 -1.20 -3.24 117.00 125.90 2dk6 n LEU 82 Ca -0.07 0.07 0.24 0.00 -0.01 0.00 0.00 56.01 56.24 2dk6 n LEU 82 Cb 0.50 -0.23 0.45 0.00 -0.11 0.00 0.00 43.42 44.03 2dk6 n LEU 82 CO 0.44 0.23 0.93 1.07 -1.51 0.00 0.00 177.39 178.55 2dk6 n THR 83 N -3.24 -0.42 -0.01 -5.08 5.66 -1.17 -2.06 114.28 107.98 2dk6 n THR 83 Ca -0.15 2.09 0.00 0.00 -3.05 0.00 0.00 64.05 62.95 2dk6 n THR 83 Cb 0.61 -3.23 -0.03 0.00 -1.55 0.00 0.00 70.33 66.13 2dk6 n THR 83 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2dk6 n THR 84 N -5.35 0.10 -0.46 1.09 -2.24 -1.26 -5.01 114.28 101.15 2dk6 n THR 84 Ca 0.31 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 2dk6 n THR 84 Cb 1.04 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 2.50 0.72 3.94 3.38 0.00 -0.87 -5.08 105.19 109.77 2dk6 n GLY 85 Ca -0.03 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.93 2.27 0.17 1.61 -0.14 -1.23 -4.85 119.74 116.65 2dk6 s LYS 86 Ca 0.00 -0.42 0.10 0.00 -1.36 0.00 0.00 55.97 54.29 2dk6 s LYS 86 Cb 0.00 -2.26 -0.04 0.00 -1.68 0.00 0.00 37.83 33.85 2dk6 s LYS 86 CO 0.00 -1.10 -0.21 1.14 -0.76 0.00 0.00 175.35 174.42 2dk6 s GLN 87 N -5.11 1.37 0.15 1.68 0.00 -1.26 -0.83 119.66 115.66 2dk6 s GLN 87 Ca 0.60 -1.44 -0.17 0.00 -0.00 0.00 0.00 55.36 54.34 2dk6 s GLN 87 Cb -0.10 -1.57 0.04 0.00 0.00 0.00 0.00 33.01 31.37 2dk6 s GLN 87 CO 0.43 0.33 0.46 1.03 0.00 0.00 0.00 175.29 177.54 2dk6 s ARG 88 N -2.66 1.17 0.17 9.60 0.52 -0.98 -4.96 118.95 121.81 2dk6 s ARG 88 Ca 0.17 -0.71 0.03 0.00 -0.52 0.00 0.00 55.73 54.71 2dk6 s ARG 88 Cb -0.07 0.50 -0.04 0.00 0.52 0.00 0.00 34.95 35.86 2dk6 s ARG 88 CO 0.08 -0.48 0.26 -0.51 0.02 0.00 0.00 175.30 174.67 2dk6 s LEU 89 N -2.81 4.20 0.14 2.53 2.01 -1.26 0.22 118.68 123.70 2dk6 s LEU 89 Ca 0.04 0.08 0.05 0.00 0.01 0.00 0.00 54.13 54.31 2dk6 s LEU 89 Cb 0.01 -2.77 -0.04 0.00 0.01 0.00 0.00 46.19 43.39 2dk6 s LEU 89 CO -0.10 0.04 -0.11 0.27 1.01 0.00 0.00 176.35 177.46 2dk6 s ILE 90 N -1.78 1.17 0.02 -0.59 -4.36 -1.22 -0.69 121.20 113.75 2dk6 s ILE 90 Ca 0.34 -1.96 -0.13 0.00 -0.26 0.00 0.00 60.65 58.64 2dk6 s ILE 90 Cb -0.10 -1.74 0.02 0.00 1.25 0.00 0.00 42.46 41.88 2dk6 s ILE 90 CO 0.27 -0.67 0.28 -1.59 0.24 0.00 0.00 174.94 173.46 2dk6 s LYS 91 N -3.47 0.72 -0.28 0.37 -2.85 0.18 -4.77 119.74 109.64 2dk6 s LYS 91 Ca 0.14 -0.41 0.03 0.00 -1.00 0.00 0.00 55.97 54.73 2dk6 s LYS 91 Cb 0.01 0.31 0.07 0.00 -2.06 0.00 0.00 37.83 36.16 2dk6 s LYS 91 CO 0.01 -0.21 -0.05 0.50 0.10 0.00 0.00 175.35 175.70 2dk6 s ARG 92 N -2.05 1.87 0.08 1.78 3.52 -1.26 -0.28 118.95 122.61 2dk6 s ARG 92 Ca -0.09 -1.46 0.04 0.00 -0.13 0.00 0.00 55.73 54.09 2dk6 s ARG 92 Cb -0.03 -2.92 -0.03 0.00 -1.56 0.00 0.00 34.95 30.41 2dk6 s ARG 92 CO -0.00 -0.70 -0.10 0.00 -0.81 0.00 0.00 175.30 173.68 2dk6 s ALA 93 N 1.09 0.98 0.45 6.12 0.00 0.20 -4.90 121.76 125.70 2dk6 s ALA 93 Ca -0.02 -1.03 -0.23 0.00 0.00 0.00 0.00 51.96 50.68 2dk6 s ALA 93 Cb -0.19 0.00 -0.08 0.00 0.00 0.00 0.00 23.12 22.85 2dk6 s ALA 93 CO -0.07 0.01 1.17 -1.25 0.00 0.00 0.00 175.76 175.63 2dk6 s PRO 94 N -2.22 3.81 0.14 0.00 0.04 -1.26 0.15 135.00 135.64 2dk6 s PRO 94 Ca -0.00 1.80 -0.31 0.00 0.04 0.00 0.00 61.00 62.52 2dk6 s PRO 94 Cb -0.06 -2.46 -0.10 0.00 0.04 0.00 0.00 34.50 31.92 2dk6 s PRO 94 CO 0.01 -0.52 1.67 -0.06 0.04 0.00 0.00 177.00 178.14 2dk6 s PHE 95 N -1.52 2.67 -1.13 0.56 0.08 -1.14 -4.68 117.98 112.82 2dk6 s PHE 95 Ca 0.62 0.36 -0.19 0.00 0.12 0.00 0.00 56.93 57.84 2dk6 s PHE 95 Cb -0.29 -4.03 0.09 0.00 -0.57 0.00 0.00 43.02 38.22 2dk6 s PHE 95 CO 0.36 -4.00 1.50 0.45 -0.10 0.00 0.00 175.22 173.42 2dk6 s SER 96 N 1.82 6.74 0.42 1.36 0.15 -1.26 -4.96 113.70 117.97 2dk6 s SER 96 Ca 0.74 -2.16 0.07 0.00 0.70 0.00 0.00 55.95 55.30 2dk6 s SER 96 Cb -0.44 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.31 2dk6 s SER 96 CO 0.33 -1.19 0.21 -0.94 1.20 0.00 0.00 173.24 172.85 2dk6 s SER 97 N 4.13 4.51 1.03 5.45 1.04 -1.26 -5.12 113.70 123.47 2dk6 s SER 97 Ca 0.46 -1.07 -0.12 0.00 0.48 0.00 0.00 55.95 55.71 2dk6 s SER 97 Cb 0.00 -0.40 0.21 0.00 0.10 0.00 0.00 66.02 65.93 2dk6 s SER 97 CO -0.02 -0.60 1.08 -0.83 0.98 0.00 0.00 173.24 173.85 2dk6 s GLY 98 N -3.96 1.61 0.08 7.32 0.00 -1.26 -4.89 107.32 106.22 2dk6 s GLY 98 Ca 0.41 0.15 0.17 0.00 0.00 0.00 0.00 44.72 45.45 2dk6 s GLY 98 CO 0.23 0.72 1.53 -1.55 0.00 0.00 0.00 173.10 174.03 2dk6 n PRO 99 N -4.51 0.06 -4.09 2.90 -0.04 -1.26 -4.80 135.00 123.25 2dk6 n PRO 99 Ca 0.07 0.31 -0.11 0.00 -0.04 0.00 0.00 63.50 63.73 2dk6 n PRO 99 Cb 0.54 -1.61 -0.07 0.00 -0.04 0.00 0.00 33.50 32.31 2dk6 n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dk6 s SER 100 N -3.36 0.05 -0.15 3.54 0.15 -1.26 -5.09 113.70 107.57 2dk6 s SER 100 Ca 0.06 -1.15 -0.06 0.00 0.70 0.00 0.00 55.95 55.50 2dk6 s SER 100 Cb 0.09 0.50 -0.07 0.00 -1.71 0.00 0.00 66.02 64.83 2dk6 s SER 100 CO 0.30 -1.01 -0.19 -0.24 1.20 0.00 0.00 173.24 173.29 2dk6 n SER 101 N -0.37 1.45 0.00 5.45 2.88 -1.26 -5.13 113.62 116.63 2dk6 n SER 101 Ca 0.00 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2dk6 n SER 101 Cb 0.64 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 2dk6 n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42