#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk6 h SER 2 N 0.00 -1.60 -6.80 1.61 0.02 -2.13 -3.44 113.55 101.20 2dk6 h SER 2 Ca 0.00 0.27 -0.56 0.00 -0.84 0.00 0.00 61.79 60.66 2dk6 h SER 2 Cb 0.00 0.74 -0.22 0.00 0.14 0.00 0.00 62.40 63.06 2dk6 h SER 2 CO 0.00 -0.32 -0.86 -1.54 -1.14 0.00 0.00 176.83 172.97 2dk6 n SER 3 N -5.39 -2.49 -4.53 3.07 3.41 -1.26 -4.88 113.62 101.55 2dk6 n SER 3 Ca 0.03 -1.06 -0.42 0.00 -0.26 0.00 0.00 58.87 57.15 2dk6 n SER 3 Cb 0.34 -2.56 -0.07 0.00 -0.26 0.00 0.00 64.21 61.66 2dk6 n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dk6 s GLY 4 N -3.48 1.74 -0.65 5.00 0.00 -1.26 -5.01 107.32 103.65 2dk6 s GLY 4 Ca 0.62 -1.10 -0.16 0.00 0.00 0.00 0.00 44.72 44.08 2dk6 s GLY 4 CO 0.94 1.48 0.65 -0.56 0.00 0.00 0.00 173.10 175.61 2dk6 s SER 5 N 1.92 6.36 0.39 1.64 0.01 -1.26 -5.04 113.70 117.72 2dk6 s SER 5 Ca 0.22 -1.96 0.08 0.00 1.31 0.00 0.00 55.95 55.60 2dk6 s SER 5 Cb -0.14 -2.24 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 2dk6 s SER 5 CO 0.17 -0.85 0.30 -0.94 0.41 0.00 0.00 173.24 172.33 2dk6 s SER 6 N 3.23 4.92 0.00 2.44 1.04 -1.26 -5.05 113.70 119.02 2dk6 s SER 6 Ca 0.10 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.76 2dk6 s SER 6 Cb -0.22 -0.63 0.00 0.00 0.10 0.00 0.00 66.02 65.26 2dk6 s SER 6 CO -0.00 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.29 2dk6 n GLY 7 N -1.41 -0.07 2.74 7.32 0.00 -1.26 -5.14 105.19 107.37 2dk6 n GLY 7 Ca 0.01 0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 2.62 0.23 1.61 -0.87 -1.26 -5.12 114.94 112.15 2dk6 s ASN 8 Ca 0.00 -0.66 -0.30 0.00 -1.57 0.00 0.00 52.86 50.33 2dk6 s ASN 8 Cb 0.00 -0.56 -0.10 0.00 -0.02 0.00 0.00 41.25 40.57 2dk6 s ASN 8 CO 0.00 -0.28 1.43 -0.70 -2.57 0.00 0.00 177.10 174.98 2dk6 s GLU 9 N 1.89 4.28 -0.19 -0.60 2.56 -1.26 -5.01 118.70 120.37 2dk6 s GLU 9 Ca 0.00 2.26 -0.01 0.00 0.00 0.00 0.00 54.97 57.23 2dk6 s GLU 9 Cb -0.16 -3.13 0.00 0.00 2.00 0.00 0.00 34.13 32.85 2dk6 s GLU 9 CO -0.07 -0.41 -0.13 0.14 -0.56 0.00 0.00 175.26 174.22 2dk6 s VAL 10 N 0.12 2.66 -0.28 3.70 -7.23 -1.26 -5.09 120.40 113.03 2dk6 s VAL 10 Ca 0.60 -0.74 -0.23 0.00 -1.81 0.00 0.00 61.98 59.80 2dk6 s VAL 10 Cb -0.41 -2.16 0.11 0.00 0.56 0.00 0.00 36.38 34.48 2dk6 s VAL 10 CO 0.41 0.49 0.91 1.51 -0.31 0.00 0.00 175.10 178.12 2dk6 s ASP 11 N 1.23 -0.58 0.29 4.85 1.47 -1.26 -5.18 116.67 117.49 2dk6 s ASP 11 Ca 0.03 1.07 -0.19 0.00 1.18 0.00 0.00 52.55 54.63 2dk6 s ASP 11 Cb -0.14 1.12 0.05 0.00 -0.34 0.00 0.00 42.92 43.62 2dk6 s ASP 11 CO -0.06 -0.18 0.85 -1.81 0.68 0.00 0.00 175.17 174.65 2dk6 s ASP 12 N 0.58 -0.08 -0.05 2.11 1.01 -1.26 -5.08 116.67 113.90 2dk6 s ASP 12 Ca -0.01 -0.83 -0.00 0.00 0.71 0.00 0.00 52.55 52.41 2dk6 s ASP 12 Cb -0.05 0.71 -0.03 0.00 1.01 0.00 0.00 42.92 44.56 2dk6 s ASP 12 CO -0.07 -1.37 -0.05 0.80 0.21 0.00 0.00 175.17 174.69 2dk6 n MET 13 N -0.54 0.11 -3.76 8.23 1.56 -1.26 -5.06 117.12 116.40 2dk6 n MET 13 Ca -0.06 0.03 -0.13 0.00 -0.27 0.00 0.00 57.70 57.28 2dk6 n MET 13 Cb 0.60 -0.99 -0.13 0.00 2.15 0.00 0.00 33.22 34.85 2dk6 n MET 13 CO 0.00 0.00 0.00 0.16 -0.73 0.00 0.00 175.97 175.40 2dk6 s ASP 14 N -4.70 -0.22 0.04 6.12 1.47 -1.26 -5.16 116.67 112.96 2dk6 s ASP 14 Ca -0.06 0.45 0.05 0.00 1.18 0.00 0.00 52.55 54.16 2dk6 s ASP 14 Cb 0.02 0.39 -0.02 0.00 -0.34 0.00 0.00 42.92 42.96 2dk6 s ASP 14 CO 0.10 -0.12 -0.14 0.42 0.68 0.00 0.00 175.17 176.11 2dk6 s THR 15 N 0.72 1.11 0.03 2.11 -4.23 -1.26 -5.06 115.64 109.05 2dk6 s THR 15 Ca -0.05 -1.02 -0.26 0.00 -1.18 0.00 0.00 61.69 59.18 2dk6 s THR 15 Cb -0.06 -1.01 -0.17 0.00 1.34 0.00 0.00 72.50 72.60 2dk6 s THR 15 CO -0.04 -0.01 1.38 0.28 -0.54 0.00 0.00 174.62 175.69 2dk6 h SER 16 N 4.89 -0.37 -2.51 3.99 0.02 -2.08 -3.39 113.55 114.10 2dk6 h SER 16 Ca -0.38 -0.13 -0.54 0.00 -0.84 0.00 0.00 61.79 59.90 2dk6 h SER 16 Cb 1.18 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.77 2dk6 h SER 16 CO 0.44 -0.07 1.24 -1.81 -1.14 0.00 0.00 176.83 175.48 2dk6 s ASP 17 N -4.99 5.77 -0.19 3.07 1.01 -1.26 -4.94 116.67 115.14 2dk6 s ASP 17 Ca -0.15 0.62 -0.05 0.00 0.71 0.00 0.00 52.55 53.69 2dk6 s ASP 17 Cb 0.03 -2.53 0.07 0.00 1.01 0.00 0.00 42.92 41.50 2dk6 s ASP 17 CO 0.58 -1.93 0.12 -0.89 0.21 0.00 0.00 175.17 173.27 2dk6 s THR 18 N 7.32 -0.14 -0.05 -1.27 2.01 -1.26 -5.13 115.64 117.12 2dk6 s THR 18 Ca 0.66 -0.23 -0.24 0.00 0.31 0.00 0.00 61.69 62.19 2dk6 s THR 18 Cb -0.15 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 2dk6 s THR 18 CO 0.26 -0.32 0.71 -1.10 -0.69 0.00 0.00 174.62 173.48 2dk6 s GLN 19 N 2.18 4.44 -0.25 4.92 -0.21 -1.26 -5.04 119.66 124.44 2dk6 s GLN 19 Ca 0.04 0.91 -0.17 0.00 0.02 0.00 0.00 55.36 56.16 2dk6 s GLN 19 Cb -0.16 -3.44 -0.03 0.00 1.00 0.00 0.00 33.01 30.38 2dk6 s GLN 19 CO -0.13 0.08 0.48 -1.58 -2.12 0.00 0.00 175.29 172.02 2dk6 s TRP 20 N 0.72 3.28 0.39 0.91 0.52 -1.26 -2.75 118.94 120.75 2dk6 s TRP 20 Ca 0.38 0.61 0.08 0.00 0.02 0.00 0.00 56.10 57.19 2dk6 s TRP 20 Cb -0.18 -2.67 -0.03 0.00 -1.15 0.00 0.00 33.47 29.44 2dk6 s TRP 20 CO 0.19 -0.23 0.31 0.20 0.02 0.00 0.00 176.95 177.44 2dk6 s GLY 21 N 1.48 2.07 -0.10 0.98 0.00 0.90 -4.88 107.32 107.77 2dk6 s GLY 21 Ca 0.20 -1.86 0.04 0.00 0.00 0.00 0.00 44.72 43.09 2dk6 s GLY 21 CO 0.09 -1.71 -0.23 -0.98 0.00 0.00 0.00 173.10 170.28 2dk6 s TRP 22 N -2.45 2.48 0.08 1.90 0.52 -1.26 -0.91 118.94 119.29 2dk6 s TRP 22 Ca 0.45 -1.04 0.08 0.00 0.02 0.00 0.00 56.10 55.61 2dk6 s TRP 22 Cb -0.03 -1.67 -0.03 0.00 -1.15 0.00 0.00 33.47 30.59 2dk6 s TRP 22 CO 0.26 -0.43 -0.23 -0.06 0.02 0.00 0.00 176.95 176.52 2dk6 s PHE 23 N 0.43 1.95 -0.06 -1.98 0.40 -0.41 -1.64 117.98 116.67 2dk6 s PHE 23 Ca -0.17 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 55.79 2dk6 s PHE 23 Cb -0.17 -1.11 0.01 0.00 0.51 0.00 0.00 43.02 42.25 2dk6 s PHE 23 CO 0.07 0.18 -0.12 1.52 0.70 0.00 0.00 175.22 177.57 2dk6 s TYR 24 N -0.97 1.43 -0.05 0.36 1.13 -0.99 -0.95 117.35 117.31 2dk6 s TYR 24 Ca 0.09 -0.50 -0.30 0.00 -1.41 0.00 0.00 57.07 54.95 2dk6 s TYR 24 Cb -0.10 -1.04 -0.04 0.00 -1.10 0.00 0.00 41.96 39.69 2dk6 s TYR 24 CO 0.03 -0.25 1.34 -1.17 -2.51 0.00 0.00 175.55 173.00 2dk6 s LEU 25 N 0.56 4.28 0.59 -3.49 0.20 0.13 -1.21 118.68 119.73 2dk6 s LEU 25 Ca -0.12 1.96 -0.14 0.00 0.69 0.00 0.00 54.13 56.52 2dk6 s LEU 25 Cb -0.15 -3.55 -0.05 0.00 -0.43 0.00 0.00 46.19 42.01 2dk6 s LEU 25 CO 0.03 -0.71 1.02 0.00 -0.29 0.00 0.00 176.35 176.40 2dk6 s ALA 26 N 2.73 2.95 0.39 5.97 0.00 0.22 -3.93 121.76 130.10 2dk6 s ALA 26 Ca 0.61 0.14 0.13 0.00 0.00 0.00 0.00 51.96 52.83 2dk6 s ALA 26 Cb -0.28 -3.14 0.96 0.00 0.00 0.00 0.00 23.12 20.66 2dk6 s ALA 26 CO 0.23 -0.62 1.88 1.05 0.00 0.00 0.00 175.76 178.30 2dk6 h GLU 27 N 0.24 0.51 -0.22 0.00 4.11 -1.90 0.13 114.58 117.45 2dk6 h GLU 27 Ca -0.46 -0.03 -0.07 0.00 0.07 0.00 0.00 59.36 58.87 2dk6 h GLU 27 Cb 1.20 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2dk6 h GLU 27 CO 0.60 0.34 -0.17 0.00 0.07 0.00 0.00 179.01 179.85 2dk6 n GLY 29 N -0.63 1.66 2.88 0.00 0.00 0.45 -5.13 105.19 104.42 2dk6 n GLY 29 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.06 1.17 -0.45 1.61 -0.14 -1.24 -4.87 119.74 115.75 2dk6 s LYS 30 Ca 0.00 -0.15 -0.29 0.00 -1.36 0.00 0.00 55.97 54.17 2dk6 s LYS 30 Cb 0.00 -1.25 0.02 0.00 -1.68 0.00 0.00 37.83 34.92 2dk6 s LYS 30 CO 0.00 -0.20 1.26 -1.58 -0.76 0.00 0.00 175.35 174.07 2dk6 s TRP 31 N 1.49 2.63 -0.17 3.18 0.52 -1.26 -0.61 118.94 124.72 2dk6 s TRP 31 Ca -0.01 0.70 -0.05 0.00 0.02 0.00 0.00 56.10 56.77 2dk6 s TRP 31 Cb -0.13 -4.38 -0.03 0.00 -1.15 0.00 0.00 33.47 27.78 2dk6 s TRP 31 CO -0.04 -1.59 -0.01 -1.01 0.02 0.00 0.00 176.95 174.31 2dk6 s HIS 32 N 4.89 3.06 0.76 -1.98 3.76 -0.35 -4.82 115.29 120.62 2dk6 s HIS 32 Ca 0.54 -0.27 -0.15 0.00 -0.15 0.00 0.00 55.06 55.03 2dk6 s HIS 32 Cb -0.10 -2.00 0.03 0.00 1.11 0.00 0.00 32.58 31.62 2dk6 s HIS 32 CO 0.32 -0.04 1.04 -0.12 -0.85 0.00 0.00 174.74 175.09 2dk6 n MET 33 N 3.66 0.39 -2.43 1.40 1.56 -1.26 -2.35 117.12 118.09 2dk6 n MET 33 Ca -0.17 0.20 -0.43 0.00 -0.27 0.00 0.00 57.70 57.03 2dk6 n MET 33 Cb 0.52 -2.30 -0.02 0.00 2.15 0.00 0.00 33.22 33.57 2dk6 n MET 33 CO 0.00 0.00 0.00 -0.06 -0.73 0.00 0.00 175.97 175.18 2dk6 s PHE 34 N -1.93 2.88 0.04 1.12 0.08 -0.65 -4.87 117.98 114.65 2dk6 s PHE 34 Ca 0.73 1.03 0.04 0.00 0.12 0.00 0.00 56.93 58.85 2dk6 s PHE 34 Cb -0.32 -3.50 -0.02 0.00 -0.57 0.00 0.00 43.02 38.61 2dk6 s PHE 34 CO 0.51 -1.66 -0.13 -0.65 -0.10 0.00 0.00 175.22 173.19 2dk6 s GLN 35 N 3.37 0.82 -0.18 0.44 -1.52 -1.26 -3.70 119.66 117.63 2dk6 s GLN 35 Ca 0.55 -0.77 -0.29 0.00 -1.95 0.00 0.00 55.36 52.90 2dk6 s GLN 35 Cb -0.22 -0.80 -0.03 0.00 -0.22 0.00 0.00 33.01 31.74 2dk6 s GLN 35 CO 0.15 0.19 1.58 -1.25 -0.25 0.00 0.00 175.29 175.72 2dk6 s PRO 36 N -1.27 3.92 0.67 2.91 0.04 -1.26 -4.77 135.00 135.25 2dk6 s PRO 36 Ca -0.01 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 62.69 2dk6 s PRO 36 Cb -0.08 -4.00 -0.00 0.00 0.04 0.00 0.00 34.50 30.46 2dk6 s PRO 36 CO 0.01 -1.14 1.05 0.34 0.04 0.00 0.00 177.00 177.31 2dk6 s ASP 37 N 3.80 5.58 1.03 6.66 -1.08 -1.26 -4.86 116.67 126.54 2dk6 s ASP 37 Ca 0.70 1.59 -0.19 0.00 -0.52 0.00 0.00 52.55 54.13 2dk6 s ASP 37 Cb -0.26 -2.49 -0.03 0.00 -1.46 0.00 0.00 42.92 38.67 2dk6 s ASP 37 CO 0.28 -1.31 -0.42 1.07 0.52 0.00 0.00 175.17 175.31 2dk6 n THR 38 N -2.99 0.00 -0.13 1.71 5.66 -1.26 -3.93 114.28 113.34 2dk6 n THR 38 Ca 0.07 -0.25 -0.04 0.00 -3.05 0.00 0.00 64.05 60.78 2dk6 n THR 38 Cb 0.54 -0.35 0.02 0.00 -1.55 0.00 0.00 70.33 68.99 2dk6 n THR 38 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 2dk6 h ASN 39 N -1.48 -0.38 -0.82 1.09 2.35 -1.96 0.94 115.58 115.32 2dk6 h ASN 39 Ca -0.46 0.13 0.07 0.00 -0.55 0.00 0.00 56.30 55.49 2dk6 h ASN 39 Cb 1.34 0.26 -0.10 0.00 0.05 0.00 0.00 38.32 39.87 2dk6 h ASN 39 CO 0.30 -0.14 -0.50 -1.28 -1.65 0.00 0.00 177.43 174.17 2dk6 h SER 40 N 0.01 -1.82 -0.79 5.81 0.87 -2.04 -0.92 113.55 114.66 2dk6 h SER 40 Ca 0.21 0.27 -0.54 0.00 -1.23 0.00 0.00 61.79 60.51 2dk6 h SER 40 Cb 0.31 0.80 -0.32 0.00 -0.44 0.00 0.00 62.40 62.76 2dk6 h SER 40 CO -0.43 -0.20 0.03 1.67 -0.53 0.00 0.00 176.83 177.37 2dk6 n GLN 41 N -4.90 2.89 -1.42 2.24 7.27 -0.99 -4.36 117.38 118.12 2dk6 n GLN 41 Ca 0.01 -3.61 -0.58 0.00 0.07 0.00 0.00 57.00 52.89 2dk6 n GLN 41 Cb 0.22 -2.20 -0.10 0.00 2.41 0.00 0.00 30.24 30.58 2dk6 n GLN 41 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2dk6 s SER 43 N 3.58 4.79 0.05 0.00 1.04 -1.25 -4.77 113.70 117.13 2dk6 s SER 43 Ca 0.98 -1.12 -0.22 0.00 0.48 0.00 0.00 55.95 56.08 2dk6 s SER 43 Cb -1.34 0.41 -0.06 0.00 0.10 0.00 0.00 66.02 65.13 2dk6 s SER 43 CO 0.69 -1.21 0.65 0.68 0.98 0.00 0.00 173.24 175.03 2dk6 s VAL 44 N -2.75 4.75 0.54 5.02 -7.23 -1.26 -4.42 120.40 115.05 2dk6 s VAL 44 Ca 0.44 1.39 -0.07 0.00 -1.81 0.00 0.00 61.98 61.92 2dk6 s VAL 44 Cb -0.03 -3.99 -0.04 0.00 0.56 0.00 0.00 36.38 32.88 2dk6 s VAL 44 CO 0.27 0.45 0.88 -0.44 -0.31 0.00 0.00 175.10 175.96 2dk6 s SER 45 N -0.51 6.24 0.57 4.85 0.01 -1.26 -4.54 113.70 119.06 2dk6 s SER 45 Ca 0.33 1.11 0.38 0.00 1.31 0.00 0.00 55.95 59.08 2dk6 s SER 45 Cb -0.20 -2.32 1.47 0.00 0.21 0.00 0.00 66.02 65.18 2dk6 s SER 45 CO 0.20 -0.70 1.62 0.77 0.41 0.00 0.00 173.24 175.55 2dk6 h SER 46 N 0.01 0.00 0.00 2.44 4.64 -1.92 -1.60 113.55 117.11 2dk6 h SER 46 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2dk6 h SER 46 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2dk6 h SER 46 CO 0.62 0.00 0.00 1.21 -0.87 0.00 0.00 176.83 177.79 2dk6 n GLU 47 N -3.83 0.00 -0.34 4.77 2.13 -1.26 -1.69 120.64 120.42 2dk6 n GLU 47 Ca 0.30 0.48 -0.06 0.00 0.66 0.00 0.00 57.16 58.54 2dk6 n GLU 47 Cb 1.52 -1.39 -0.04 0.00 0.27 0.00 0.00 31.44 31.79 2dk6 n GLU 47 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2dk6 n ASP 48 N -1.95 -0.77 0.07 4.31 -0.08 -0.61 -0.61 116.55 116.91 2dk6 n ASP 48 Ca 0.00 1.49 -0.12 0.00 -1.51 0.00 0.00 54.79 54.64 2dk6 n ASP 48 Cb 0.00 -0.24 -0.08 0.00 2.34 0.00 0.00 41.12 43.14 2dk6 n ASP 48 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2dk6 h ILE 49 N 0.00 0.00 -0.89 5.18 2.04 -1.60 -0.80 117.51 121.44 2dk6 h ILE 49 Ca 0.19 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.29 2dk6 h ILE 49 Cb 0.40 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.34 2dk6 h ILE 49 CO -0.81 0.00 0.30 -0.08 0.00 0.00 0.00 178.15 177.57 2dk6 h GLU 50 N -0.56 0.25 -0.31 2.37 4.81 -0.10 0.24 114.58 121.27 2dk6 h GLU 50 Ca -0.00 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2dk6 h GLU 50 Cb 0.57 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 2dk6 h GLU 50 CO -0.23 0.17 0.17 -0.22 -0.73 0.00 0.00 179.01 178.17 2dk6 h LYS 51 N 0.26 0.35 -0.22 1.92 3.64 0.09 0.28 116.57 122.89 2dk6 h LYS 51 Ca 0.57 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.87 2dk6 h LYS 51 Cb 1.16 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 2dk6 h LYS 51 CO -0.62 0.23 -0.16 0.77 -2.27 0.00 0.00 179.45 177.40 2dk6 h SER 52 N 0.36 0.35 0.34 4.20 0.02 0.74 -2.66 113.55 116.90 2dk6 h SER 52 Ca 0.12 -0.09 -0.20 0.00 -0.84 0.00 0.00 61.79 60.78 2dk6 h SER 52 Cb 0.01 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 2dk6 h SER 52 CO -0.07 0.54 -0.84 0.15 -1.14 0.00 0.00 176.83 175.47 2dk6 h PHE 53 N 0.34 0.53 0.58 3.45 3.04 -0.25 -3.12 116.94 121.50 2dk6 h PHE 53 Ca 0.06 -0.26 -0.03 0.00 3.98 0.00 0.00 57.97 61.72 2dk6 h PHE 53 Cb 0.48 -0.07 0.01 0.00 2.56 0.00 0.00 35.95 38.93 2dk6 h PHE 53 CO 0.01 1.05 -0.28 0.87 -2.02 0.00 0.00 178.31 177.95 2dk6 h LYS 54 N 0.23 -0.75 -0.83 1.11 1.57 -0.14 -1.43 116.57 116.33 2dk6 h LYS 54 Ca -0.05 0.05 0.15 0.00 -1.87 0.00 0.00 60.65 58.93 2dk6 h LYS 54 Cb 1.45 0.17 -0.06 0.00 0.08 0.00 0.00 32.23 33.87 2dk6 h LYS 54 CO 0.14 -0.49 0.54 0.00 -0.57 0.00 0.00 179.45 179.07 2dk6 h THR 55 N -0.81 0.80 -1.82 -0.16 1.03 -1.59 -3.38 112.91 106.99 2dk6 h THR 55 Ca -0.08 -0.18 -0.18 0.00 -0.01 0.00 0.00 66.41 65.96 2dk6 h THR 55 Cb 0.61 0.22 -0.29 0.00 -1.07 0.00 0.00 68.15 67.62 2dk6 h THR 55 CO 0.13 0.10 -0.51 0.21 -0.01 0.00 0.00 175.52 175.44 2dk6 s ASN 56 N -5.85 0.40 0.45 0.00 2.47 -1.02 -5.01 114.94 106.38 2dk6 s ASN 56 Ca -0.09 -0.10 0.30 0.00 0.42 0.00 0.00 52.86 53.39 2dk6 s ASN 56 Cb 0.22 1.07 1.26 0.00 -1.45 0.00 0.00 41.25 42.35 2dk6 s ASN 56 CO 0.78 -0.33 1.90 1.55 -3.72 0.00 0.00 177.10 177.28 2dk6 h PRO 57 N 8.18 0.00 -0.83 0.43 0.13 -1.46 -3.01 132.00 135.44 2dk6 h PRO 57 Ca -0.14 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.41 2dk6 h PRO 57 Cb 1.13 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.86 2dk6 h PRO 57 CO 0.27 0.00 -0.45 0.00 -0.23 0.00 0.00 178.00 177.59 2dk6 n GLY 59 N -0.75 5.60 3.44 0.00 0.00 -1.14 -4.40 105.19 107.95 2dk6 n GLY 59 Ca 0.48 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.49 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 0.96 -0.54 -0.45 1.61 1.04 -1.26 -0.41 113.70 114.64 2dk6 s SER 60 Ca 0.00 0.91 -0.08 0.00 0.48 0.00 0.00 55.95 57.26 2dk6 s SER 60 Cb 0.00 0.92 0.11 0.00 0.10 0.00 0.00 66.02 67.15 2dk6 s SER 60 CO 0.00 -0.30 0.30 -0.51 0.98 0.00 0.00 173.24 173.71 2dk6 s ILE 61 N -0.20 4.01 -0.28 -1.02 2.07 -0.75 -4.94 121.20 120.09 2dk6 s ILE 61 Ca -0.04 -1.79 -0.24 0.00 -1.41 0.00 0.00 60.65 57.17 2dk6 s ILE 61 Cb -0.03 -3.63 -0.00 0.00 0.13 0.00 0.00 42.46 38.92 2dk6 s ILE 61 CO 0.03 -0.71 0.82 -0.94 -1.91 0.00 0.00 174.94 172.23 2dk6 s SER 62 N 2.41 6.76 -0.09 4.50 1.04 -1.26 -2.58 113.70 124.48 2dk6 s SER 62 Ca 0.06 0.86 -0.06 0.00 0.48 0.00 0.00 55.95 57.29 2dk6 s SER 62 Cb -0.25 -2.43 0.03 0.00 0.10 0.00 0.00 66.02 63.48 2dk6 s SER 62 CO -0.01 -0.58 0.22 0.72 0.98 0.00 0.00 173.24 174.56 2dk6 s PHE 63 N 2.94 -0.26 -0.13 5.02 -0.12 -0.58 -5.04 117.98 119.81 2dk6 s PHE 63 Ca 0.34 0.65 0.01 0.00 -0.05 0.00 0.00 56.93 57.88 2dk6 s PHE 63 Cb -0.15 0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.28 2dk6 s PHE 63 CO 0.10 -0.17 -0.16 0.95 -0.05 0.00 0.00 175.22 175.89 2dk6 s THR 64 N 0.76 2.73 0.33 -4.49 -4.23 -1.26 -1.08 115.64 108.40 2dk6 s THR 64 Ca -0.05 -0.77 0.04 0.00 -1.18 0.00 0.00 61.69 59.72 2dk6 s THR 64 Cb -0.07 -2.13 0.06 0.00 1.34 0.00 0.00 72.50 71.70 2dk6 s THR 64 CO -0.04 0.53 0.46 0.35 -0.54 0.00 0.00 174.62 175.38 2dk6 n THR 65 N 3.67 0.00 -1.73 3.99 -2.24 0.33 -4.92 114.28 113.39 2dk6 n THR 65 Ca -0.19 -0.99 -0.64 0.00 -2.27 0.00 0.00 64.05 59.96 2dk6 n THR 65 Cb 0.52 -0.84 -0.09 0.00 -2.10 0.00 0.00 70.33 67.82 2dk6 n THR 65 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2dk6 n SER 66 N -2.72 1.59 -2.41 3.42 2.88 -1.26 0.03 113.62 115.15 2dk6 n SER 66 Ca 0.09 1.14 -0.09 0.00 -1.33 0.00 0.00 58.87 58.68 2dk6 n SER 66 Cb 0.32 -0.97 -0.02 0.00 -0.75 0.00 0.00 64.21 62.80 2dk6 n SER 66 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2dk6 n LYS 67 N 4.55 -1.94 -4.02 -1.46 2.85 -1.26 -4.80 118.16 112.07 2dk6 n LYS 67 Ca 0.30 0.03 -0.08 0.00 -1.05 0.00 0.00 58.31 57.51 2dk6 n LYS 67 Cb 0.00 -3.20 -0.09 0.00 -0.65 0.00 0.00 35.03 31.09 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 -1.74 0.48 0.03 5.58 0.40 0.10 -5.03 117.98 117.80 2dk6 s PHE 68 Ca 0.17 -0.94 0.02 0.00 -0.60 0.00 0.00 56.93 55.59 2dk6 s PHE 68 Cb -0.10 -0.28 -0.02 0.00 0.51 0.00 0.00 43.02 43.13 2dk6 s PHE 68 CO 0.21 -0.50 -0.08 -1.12 0.70 0.00 0.00 175.22 174.44 2dk6 s SER 69 N -2.94 0.87 -0.20 1.36 0.01 -1.26 -0.51 113.70 111.02 2dk6 s SER 69 Ca 0.11 -0.44 -0.13 0.00 1.31 0.00 0.00 55.95 56.81 2dk6 s SER 69 Cb 0.06 0.00 0.06 0.00 0.21 0.00 0.00 66.02 66.36 2dk6 s SER 69 CO -0.07 -0.12 0.51 -0.31 0.41 0.00 0.00 173.24 173.66 2dk6 s TYR 70 N -1.04 -0.73 -0.27 2.43 2.02 -0.24 -2.54 117.35 116.98 2dk6 s TYR 70 Ca -0.06 1.55 -0.00 0.00 -0.37 0.00 0.00 57.07 58.18 2dk6 s TYR 70 Cb -0.08 0.36 0.08 0.00 -0.40 0.00 0.00 41.96 41.92 2dk6 s TYR 70 CO 0.00 -0.39 0.03 0.21 -1.57 0.00 0.00 175.55 173.84 2dk6 s LYS 71 N 1.29 1.06 -0.69 -0.62 2.20 0.02 -1.53 119.74 121.47 2dk6 s LYS 71 Ca -0.08 -1.00 -0.19 0.00 -0.36 0.00 0.00 55.97 54.33 2dk6 s LYS 71 Cb -0.07 -2.33 0.11 0.00 -1.51 0.00 0.00 37.83 34.03 2dk6 s LYS 71 CO -0.13 -0.79 0.86 0.42 -0.36 0.00 0.00 175.35 175.35 2dk6 s ILE 72 N 1.52 4.73 -0.30 5.43 1.01 -1.06 0.80 121.20 133.32 2dk6 s ILE 72 Ca 0.03 -1.05 -0.29 0.00 0.00 0.00 0.00 60.65 59.34 2dk6 s ILE 72 Cb -0.18 -4.60 0.01 0.00 0.01 0.00 0.00 42.46 37.70 2dk6 s ILE 72 CO -0.14 -1.28 1.15 -1.81 0.00 0.00 0.00 174.94 172.85 2dk6 s ASP 73 N 3.54 6.87 -0.07 3.58 1.11 -0.56 -1.81 116.67 129.33 2dk6 s ASP 73 Ca 0.19 1.14 -0.27 0.00 0.18 0.00 0.00 52.55 53.79 2dk6 s ASP 73 Cb -0.17 -2.54 -0.23 0.00 1.07 0.00 0.00 42.92 41.04 2dk6 s ASP 73 CO 0.03 -0.92 1.04 -0.26 1.18 0.00 0.00 175.17 176.24 2dk6 h PHE 74 N 8.39 0.02 -0.53 4.23 0.04 -0.98 -1.46 116.94 126.64 2dk6 h PHE 74 Ca -0.22 -0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.64 2dk6 h PHE 74 Cb 1.07 -0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.11 2dk6 h PHE 74 CO 0.84 0.73 -0.27 0.00 -0.60 0.00 0.00 178.31 179.02 2dk6 h ALA 75 N 0.28 0.06 0.00 2.45 0.00 -1.29 0.79 119.26 121.55 2dk6 h ALA 75 Ca -0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2dk6 h ALA 75 Cb 0.74 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2dk6 h ALA 75 CO 0.00 -0.61 0.00 0.39 0.00 0.00 0.00 179.25 179.03 2dk6 n GLU 76 N -5.43 0.31 -3.71 0.00 -0.58 -1.25 -4.91 120.64 105.07 2dk6 n GLU 76 Ca 0.04 0.07 -0.24 0.00 -0.42 0.00 0.00 57.16 56.61 2dk6 n GLU 76 Cb 0.34 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.74 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 -1.30 -3.60 -3.47 3.49 2.81 0.28 -4.98 117.12 110.34 2dk6 n MET 77 Ca 0.11 0.56 -0.14 0.00 -1.81 0.00 0.00 57.70 56.42 2dk6 n MET 77 Cb 0.19 -4.86 -0.04 0.00 -0.71 0.00 0.00 33.22 27.81 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 -5.98 1.11 -0.33 0.03 -2.85 -0.59 -3.26 119.74 107.88 2dk6 s LYS 78 Ca 0.14 -0.15 -0.14 0.00 -1.00 0.00 0.00 55.97 54.82 2dk6 s LYS 78 Cb -0.04 0.52 -0.02 0.00 -2.06 0.00 0.00 37.83 36.23 2dk6 s LYS 78 CO 0.83 -0.43 0.32 -1.14 0.10 0.00 0.00 175.35 175.03 2dk6 s GLN 79 N -2.58 3.64 -0.41 1.78 0.74 0.40 -1.49 119.66 121.74 2dk6 s GLN 79 Ca -0.03 -0.41 -0.21 0.00 0.05 0.00 0.00 55.36 54.77 2dk6 s GLN 79 Cb -0.01 -3.77 0.02 0.00 1.10 0.00 0.00 33.01 30.35 2dk6 s GLN 79 CO -0.03 -0.44 0.65 1.41 -0.55 0.00 0.00 175.29 176.32 2dk6 s MET 80 N 1.93 3.44 0.20 1.67 -2.45 0.24 -0.86 119.30 123.48 2dk6 s MET 80 Ca 0.10 -0.19 -0.27 0.00 -1.25 0.00 0.00 55.69 54.09 2dk6 s MET 80 Cb -0.17 -3.89 -0.08 0.00 1.25 0.00 0.00 34.83 31.94 2dk6 s MET 80 CO 0.11 -0.91 0.84 1.21 1.05 0.00 0.00 175.02 177.32 2dk6 s ASN 81 N 1.93 7.47 -0.05 1.11 2.47 -0.74 -0.80 114.94 126.34 2dk6 s ASN 81 Ca 0.24 1.76 -0.00 0.00 0.42 0.00 0.00 52.86 55.27 2dk6 s ASN 81 Cb -0.14 -2.54 -0.03 0.00 -1.45 0.00 0.00 41.25 37.09 2dk6 s ASN 81 CO 0.18 0.18 -0.05 0.18 -3.72 0.00 0.00 177.10 173.86 2dk6 n LEU 82 N 1.48 2.58 -0.32 3.21 7.99 -1.18 -3.35 117.00 127.41 2dk6 n LEU 82 Ca -0.04 -0.01 0.20 0.00 -0.01 0.00 0.00 56.01 56.15 2dk6 n LEU 82 Cb 0.48 -0.18 0.41 0.00 -0.11 0.00 0.00 43.42 44.01 2dk6 n LEU 82 CO 0.47 0.51 1.01 0.00 -1.51 0.00 0.00 177.39 177.88 2dk6 h THR 83 N -0.03 0.22 0.00 -5.08 1.03 -1.86 -2.92 112.91 104.26 2dk6 h THR 83 Ca -0.12 -0.06 -0.01 0.00 -0.01 0.00 0.00 66.41 66.20 2dk6 h THR 83 Cb 1.18 0.01 -0.00 0.00 -1.07 0.00 0.00 68.15 68.27 2dk6 h THR 83 CO -0.03 0.03 -1.07 0.35 -0.01 0.00 0.00 175.52 174.79 2dk6 n THR 84 N -5.20 0.04 -0.19 0.00 -2.24 -1.26 -4.96 114.28 100.46 2dk6 n THR 84 Ca 0.28 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 2dk6 n THR 84 Cb 0.90 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 2.70 0.89 3.81 3.38 0.00 -1.11 -5.08 105.19 109.78 2dk6 n GLY 85 Ca -0.01 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.63 1.26 -0.09 1.61 -0.14 -1.24 -4.84 119.74 115.67 2dk6 s LYS 86 Ca 0.00 0.23 0.03 0.00 -1.36 0.00 0.00 55.97 54.87 2dk6 s LYS 86 Cb 0.00 -1.86 0.01 0.00 -1.68 0.00 0.00 37.83 34.30 2dk6 s LYS 86 CO 0.00 -2.10 -0.19 -0.65 -0.76 0.00 0.00 175.35 171.65 2dk6 s GLN 87 N -5.36 2.49 0.12 1.68 1.11 -1.26 -1.78 119.66 116.66 2dk6 s GLN 87 Ca 0.64 -0.69 0.04 0.00 0.01 0.00 0.00 55.36 55.36 2dk6 s GLN 87 Cb -0.14 -1.93 -0.04 0.00 -1.01 0.00 0.00 33.01 29.89 2dk6 s GLN 87 CO 0.52 0.12 -0.10 1.03 0.01 0.00 0.00 175.29 176.87 2dk6 s ARG 88 N 0.48 0.96 0.27 2.91 0.52 -0.03 -4.89 118.95 119.17 2dk6 s ARG 88 Ca -0.17 -1.34 0.07 0.00 -0.52 0.00 0.00 55.73 53.77 2dk6 s ARG 88 Cb -0.17 -0.53 -0.03 0.00 0.52 0.00 0.00 34.95 34.74 2dk6 s ARG 88 CO 0.07 0.06 0.23 -0.51 0.02 0.00 0.00 175.30 175.17 2dk6 s LEU 89 N -2.92 3.80 0.31 2.53 2.01 -1.25 0.15 118.68 123.30 2dk6 s LEU 89 Ca 0.12 -0.29 0.03 0.00 0.01 0.00 0.00 54.13 54.00 2dk6 s LEU 89 Cb 0.01 -2.35 -0.04 0.00 0.01 0.00 0.00 46.19 43.82 2dk6 s LEU 89 CO -0.01 -0.12 0.12 0.27 1.01 0.00 0.00 176.35 177.63 2dk6 s ILE 90 N -2.17 0.57 -0.09 -0.59 -4.36 -1.20 0.21 121.20 113.57 2dk6 s ILE 90 Ca 0.35 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.44 2dk6 s ILE 90 Cb -0.07 -2.57 0.11 0.00 1.25 0.00 0.00 42.46 41.18 2dk6 s ILE 90 CO 0.26 0.00 0.92 -1.59 0.24 0.00 0.00 174.94 174.76 2dk6 s LYS 91 N -3.88 0.74 -0.32 0.37 -2.85 -0.12 -4.71 119.74 108.97 2dk6 s LYS 91 Ca 0.35 -0.01 -0.03 0.00 -1.00 0.00 0.00 55.97 55.27 2dk6 s LYS 91 Cb 0.06 0.34 0.05 0.00 -2.06 0.00 0.00 37.83 36.23 2dk6 s LYS 91 CO 0.16 -0.27 0.04 0.50 0.10 0.00 0.00 175.35 175.88 2dk6 s ARG 92 N -1.90 2.46 0.01 1.78 3.52 -1.26 -1.28 118.95 122.28 2dk6 s ARG 92 Ca -0.00 -1.28 -0.01 0.00 -0.13 0.00 0.00 55.73 54.31 2dk6 s ARG 92 Cb -0.01 -3.29 -0.01 0.00 -1.56 0.00 0.00 34.95 30.08 2dk6 s ARG 92 CO -0.02 -0.66 -0.00 0.00 -0.81 0.00 0.00 175.30 173.81 2dk6 s ALA 93 N 1.29 0.05 0.68 6.12 0.00 -0.09 -4.94 121.76 124.87 2dk6 s ALA 93 Ca -0.03 -0.46 -0.14 0.00 0.00 0.00 0.00 51.96 51.33 2dk6 s ALA 93 Cb -0.20 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.06 2dk6 s ALA 93 CO -0.00 -0.15 1.11 -1.25 0.00 0.00 0.00 175.76 175.47 2dk6 s PRO 94 N -1.28 2.68 1.00 0.00 0.04 -1.26 -0.07 135.00 136.11 2dk6 s PRO 94 Ca -0.14 1.34 -0.19 0.00 0.04 0.00 0.00 61.00 62.06 2dk6 s PRO 94 Cb -0.09 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 2dk6 s PRO 94 CO -0.01 -1.34 -0.72 1.19 0.04 0.00 0.00 177.00 176.17 2dk6 n PHE 95 N -2.66 -3.51 -2.51 0.56 3.01 -1.11 -4.69 117.46 106.54 2dk6 n PHE 95 Ca 0.10 0.17 -0.43 0.00 1.01 0.00 0.00 57.45 58.30 2dk6 n PHE 95 Cb 0.52 -1.49 0.00 0.00 -0.01 0.00 0.00 39.48 38.51 2dk6 n PHE 95 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2dk6 n SER 96 N 2.35 4.84 -3.23 4.37 7.64 -1.26 -4.97 113.62 123.37 2dk6 n SER 96 Ca -0.00 -2.92 -0.33 0.00 1.01 0.00 0.00 58.87 56.62 2dk6 n SER 96 Cb 0.60 -1.71 -0.01 0.00 -1.01 0.00 0.00 64.21 62.08 2dk6 n SER 96 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dk6 n SER 97 N 7.69 -1.56 0.00 6.43 2.88 -1.26 -4.81 113.62 122.98 2dk6 n SER 97 Ca 0.48 0.71 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 2dk6 n SER 97 Cb 0.45 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 2dk6 n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk6 n GLY 98 N 1.62 -0.38 0.00 0.46 0.00 -1.26 -4.89 105.19 100.73 2dk6 n GLY 98 Ca 0.11 -1.67 0.07 0.00 0.00 0.00 0.00 46.02 44.53 2dk6 n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dk6 n PRO 99 N -0.96 0.17 -1.89 1.61 -0.04 -1.26 -3.29 135.00 129.34 2dk6 n PRO 99 Ca 0.00 0.17 -0.40 0.00 -0.04 0.00 0.00 63.50 63.23 2dk6 n PRO 99 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2dk6 n PRO 99 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dk6 n SER 100 N -1.33 3.67 -4.29 3.54 3.41 -1.26 -4.41 113.62 112.96 2dk6 n SER 100 Ca 0.06 -2.79 -0.31 0.00 -0.26 0.00 0.00 58.87 55.57 2dk6 n SER 100 Cb 0.13 -1.57 -0.10 0.00 -0.26 0.00 0.00 64.21 62.41 2dk6 n SER 100 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dk6 n SER 101 N 8.73 0.79 0.00 4.04 2.88 -1.26 -5.03 113.62 123.77 2dk6 n SER 101 Ca 0.49 -1.25 0.00 0.00 -1.33 0.00 0.00 58.87 56.78 2dk6 n SER 101 Cb 0.43 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.33 2dk6 n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42