#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dzl n SER 2 N 0.00 -5.90 -3.90 1.61 2.88 -1.26 -5.06 113.62 101.99 2dzl n SER 2 Ca 0.00 1.09 -0.08 0.00 -1.33 0.00 0.00 58.87 58.55 2dzl n SER 2 Cb 0.00 -3.72 -0.03 0.00 -0.75 0.00 0.00 64.21 59.70 2dzl n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dzl s SER 3 N -6.46 -0.19 0.02 -3.46 0.01 -1.26 -5.11 113.70 97.24 2dzl s SER 3 Ca 0.00 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.54 2dzl s SER 3 Cb 0.00 0.66 0.00 0.00 0.21 0.00 0.00 66.02 66.89 2dzl s SER 3 CO 0.00 -1.23 0.00 0.61 0.41 0.00 0.00 173.24 173.03 2dzl n GLY 4 N -0.42 -0.14 2.87 3.44 0.00 -1.26 -5.11 105.19 104.57 2dzl n GLY 4 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 2dzl n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dzl n SER 5 N -2.56 -7.85 -4.39 1.61 7.64 -1.26 -5.04 113.62 101.78 2dzl n SER 5 Ca 0.00 0.61 -0.28 0.00 1.01 0.00 0.00 58.87 60.21 2dzl n SER 5 Cb 0.00 -5.19 -0.13 0.00 -1.01 0.00 0.00 64.21 57.89 2dzl n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dzl s SER 6 N -2.43 3.28 0.00 6.43 0.01 -1.26 -5.04 113.70 114.69 2dzl s SER 6 Ca 0.23 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.70 2dzl s SER 6 Cb -0.06 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.95 2dzl s SER 6 CO 0.77 0.15 0.00 0.61 0.41 0.00 0.00 173.24 175.18 2dzl n GLY 7 N 0.70 1.46 0.37 3.44 0.00 -1.26 -4.79 105.19 105.11 2dzl n GLY 7 Ca -0.16 -1.29 -0.05 0.00 0.00 0.00 0.00 46.02 44.52 2dzl n GLY 7 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2dzl h MET 8 N 0.00 -0.12 -0.79 1.61 1.85 -2.03 -3.38 114.93 112.07 2dzl h MET 8 Ca 0.00 0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 59.02 2dzl h MET 8 Cb 0.00 0.03 -0.17 0.00 0.43 0.00 0.00 31.60 31.89 2dzl h MET 8 CO 0.00 -0.08 -0.38 0.45 -0.40 0.00 0.00 176.91 176.50 2dzl s SER 9 N -5.24 -1.17 -0.12 1.39 0.15 -1.26 -4.99 113.70 102.46 2dzl s SER 9 Ca -0.14 -1.13 0.07 0.00 0.70 0.00 0.00 55.95 55.45 2dzl s SER 9 Cb 0.16 1.52 -0.12 0.00 -1.71 0.00 0.00 66.02 65.87 2dzl s SER 9 CO 0.69 -0.07 -0.02 1.33 1.20 0.00 0.00 173.24 176.37 2dzl n VAL 10 N 3.30 0.76 -2.35 4.45 0.24 -1.26 -4.96 118.33 118.51 2dzl n VAL 10 Ca 0.14 -0.41 -0.35 0.00 -2.04 0.00 0.00 64.34 61.68 2dzl n VAL 10 Cb 0.58 -0.80 -0.01 0.00 -1.47 0.00 0.00 33.84 32.14 2dzl n VAL 10 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2dzl s ASN 11 N -4.67 5.99 -0.04 -1.34 3.84 -1.26 -4.99 114.94 112.47 2dzl s ASN 11 Ca -0.10 2.12 -0.17 0.00 0.21 0.00 0.00 52.86 54.92 2dzl s ASN 11 Cb 0.04 -2.58 -0.11 0.00 -0.55 0.00 0.00 41.25 38.05 2dzl s ASN 11 CO 0.40 -1.03 0.71 -0.03 -2.79 0.00 0.00 177.10 174.36 2dzl h MET 12 N 1.44 -0.40 -0.65 0.43 4.05 -2.00 -2.99 114.93 114.81 2dzl h MET 12 Ca -0.50 0.03 0.09 0.00 -0.28 0.00 0.00 59.70 59.04 2dzl h MET 12 Cb 1.25 0.09 -0.11 0.00 -0.80 0.00 0.00 31.60 32.03 2dzl h MET 12 CO 0.58 -0.13 -0.47 -0.44 0.23 0.00 0.00 176.91 176.68 2dzl h ASP 13 N -1.03 -1.63 -0.63 1.39 3.32 -1.99 0.37 116.42 116.21 2dzl h ASP 13 Ca -0.04 0.26 0.08 0.00 0.02 0.00 0.00 57.03 57.35 2dzl h ASP 13 Cb 0.45 0.74 -0.10 0.00 0.22 0.00 0.00 39.33 40.63 2dzl h ASP 13 CO 0.07 -0.33 -0.50 -0.08 -1.72 0.00 0.00 179.24 176.68 2dzl h GLU 14 N -0.20 -0.21 -0.18 3.56 4.81 -1.98 0.29 114.58 120.67 2dzl h GLU 14 Ca 0.18 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2dzl h GLU 14 Cb 0.55 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 2dzl h GLU 14 CO -0.74 -0.14 -0.26 1.25 -0.73 0.00 0.00 179.01 178.38 2dzl h LEU 15 N -0.22 -0.88 -0.72 1.64 5.85 -0.82 0.22 115.31 120.37 2dzl h LEU 15 Ca 0.15 0.11 0.11 0.00 0.84 0.00 0.00 57.88 59.10 2dzl h LEU 15 Cb 0.55 0.36 -0.13 0.00 0.37 0.00 0.00 40.66 41.81 2dzl h LEU 15 CO -0.73 -0.19 -0.39 -0.09 -0.34 0.00 0.00 178.44 176.70 2dzl h ARG 16 N -0.20 -0.12 -0.26 1.25 2.43 -0.18 0.72 114.38 118.01 2dzl h ARG 16 Ca 0.03 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2dzl h ARG 16 Cb 0.28 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 2dzl h ARG 16 CO -0.27 -0.08 -0.27 0.45 -1.51 0.00 0.00 179.97 178.28 2dzl h HIS 17 N -0.13 -0.84 -0.37 2.20 3.86 0.72 0.27 115.15 120.86 2dzl h HIS 17 Ca 0.25 0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.55 2dzl h HIS 17 Cb 0.56 0.40 -0.08 0.00 1.06 0.00 0.00 27.41 29.35 2dzl h HIS 17 CO -0.74 -0.22 -0.55 0.37 0.86 0.00 0.00 177.93 177.65 2dzl h GLN 18 N -0.14 -0.40 -0.71 2.45 -0.00 0.27 0.30 115.11 116.89 2dzl h GLN 18 Ca 0.04 0.03 0.07 0.00 -0.00 0.00 0.00 58.65 58.79 2dzl h GLN 18 Cb 0.26 0.09 -0.09 0.00 0.00 0.00 0.00 27.48 27.74 2dzl h GLN 18 CO -0.33 -0.26 -0.50 0.28 0.00 0.00 0.00 178.83 178.02 2dzl h VAL 19 N -0.41 0.00 -0.53 2.39 2.07 -0.04 0.91 116.25 120.63 2dzl h VAL 19 Ca 0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.67 2dzl h VAL 19 Cb 0.59 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.26 2dzl h VAL 19 CO -0.57 0.00 -0.40 0.24 0.02 0.00 0.00 177.57 176.86 2dzl h MET 20 N -0.10 -0.22 -0.51 1.57 2.86 0.53 0.27 114.93 119.33 2dzl h MET 20 Ca 0.11 0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.82 2dzl h MET 20 Cb 0.40 0.05 -0.08 0.00 0.06 0.00 0.00 31.60 32.03 2dzl h MET 20 CO -0.72 -0.15 -0.51 0.82 1.06 0.00 0.00 176.91 177.41 2dzl h ILE 21 N -0.23 0.00 -0.28 -1.22 2.04 0.12 0.58 117.51 118.52 2dzl h ILE 21 Ca 0.18 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.11 2dzl h ILE 21 Cb 0.56 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.57 2dzl h ILE 21 CO -0.65 0.00 -0.25 -1.13 0.00 0.00 0.00 178.15 176.12 2dzl h ASN 22 N -0.26 -0.81 -0.00 1.72 -0.73 0.06 0.12 115.58 115.68 2dzl h ASN 22 Ca 0.09 0.15 0.00 0.00 1.87 0.00 0.00 56.30 58.40 2dzl h ASN 22 Cb 0.49 0.39 -0.00 0.00 0.27 0.00 0.00 38.32 39.46 2dzl h ASN 22 CO -0.62 -0.28 -0.01 1.56 -0.37 0.00 0.00 177.43 177.71 2dzl h GLN 23 N -0.24 -0.01 -0.87 6.67 4.20 0.17 0.63 115.11 125.65 2dzl h GLN 23 Ca 0.15 0.00 0.18 0.00 0.06 0.00 0.00 58.65 59.04 2dzl h GLN 23 Cb 0.47 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 28.09 2dzl h GLN 23 CO -0.41 -0.01 -0.19 0.35 -0.67 0.00 0.00 178.83 177.90 2dzl h PHE 24 N -0.01 -0.42 -0.90 2.96 3.04 0.30 1.79 116.94 123.71 2dzl h PHE 24 Ca 0.00 0.08 0.06 0.00 3.98 0.00 0.00 57.97 62.08 2dzl h PHE 24 Cb 0.01 0.32 -0.06 0.00 2.56 0.00 0.00 35.95 38.78 2dzl h PHE 24 CO -0.43 -0.37 0.58 0.28 -2.02 0.00 0.00 178.31 176.35 2dzl h VAL 25 N 0.01 1.09 -0.12 1.41 2.07 -0.06 0.29 116.25 120.94 2dzl h VAL 25 Ca 0.43 -0.36 -0.14 0.00 0.82 0.00 0.00 66.70 67.45 2dzl h VAL 25 Cb 0.68 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2dzl h VAL 25 CO -0.89 0.19 -0.49 -0.07 0.02 0.00 0.00 177.57 176.33 2dzl h LEU 26 N 1.05 0.64 -0.24 2.57 3.38 0.76 1.15 115.31 124.62 2dzl h LEU 26 Ca 0.38 -0.63 0.04 0.00 0.09 0.00 0.00 57.88 57.76 2dzl h LEU 26 Cb 0.15 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2dzl h LEU 26 CO -0.13 1.16 -0.02 0.00 0.09 0.00 0.00 178.44 179.54 2dzl h ALA 27 N 0.49 0.19 -2.38 1.53 0.00 0.30 -3.36 119.26 116.03 2dzl h ALA 27 Ca -0.03 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2dzl h ALA 27 Cb 1.13 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2dzl h ALA 27 CO 0.10 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.92 2dzl n ALA 28 N -2.39 0.00 0.00 0.00 0.00 0.94 -5.06 120.51 113.99 2dzl n ALA 28 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2dzl n ALA 28 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 2dzl n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dzl n GLY 29 N 2.35 0.70 0.00 0.00 0.00 0.40 -5.04 105.19 103.60 2dzl n GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2dzl n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dzl s ALA 31 N -2.00 3.60 0.09 0.00 0.00 -1.26 -4.89 121.76 117.30 2dzl s ALA 31 Ca 0.00 1.35 -0.34 0.00 0.00 0.00 0.00 51.96 52.98 2dzl s ALA 31 Cb 0.00 -3.55 -0.16 0.00 0.00 0.00 0.00 23.12 19.41 2dzl s ALA 31 CO 0.00 -0.77 1.53 0.00 0.00 0.00 0.00 175.76 176.52 2dzl h ALA 32 N 4.44 -1.10 -0.85 0.00 0.00 -1.96 -1.87 119.26 117.92 2dzl h ALA 32 Ca -0.47 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 54.45 2dzl h ALA 32 Cb 1.22 0.77 -0.16 0.00 0.00 0.00 0.00 17.79 19.62 2dzl h ALA 32 CO 0.74 -1.15 -0.18 -0.44 0.00 0.00 0.00 179.25 178.22 2dzl h ASP 33 N -0.90 -0.73 -0.94 0.00 3.32 -1.97 0.81 116.42 116.02 2dzl h ASP 33 Ca -0.05 0.25 0.09 0.00 0.02 0.00 0.00 57.03 57.34 2dzl h ASP 33 Cb 0.81 0.51 -0.11 0.00 0.22 0.00 0.00 39.33 40.75 2dzl h ASP 33 CO -0.12 -0.28 -0.55 1.67 -1.72 0.00 0.00 179.24 178.24 2dzl n GLN 34 N -5.53 -0.41 -0.40 3.56 -0.06 -0.72 0.23 117.38 114.05 2dzl n GLN 34 Ca 0.13 1.41 -0.06 0.00 -2.00 0.00 0.00 57.00 56.49 2dzl n GLN 34 Cb 0.46 -2.08 -0.03 0.00 -4.06 0.00 0.00 30.24 24.53 2dzl n GLN 34 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2dzl n ALA 35 N -3.30 -0.37 -0.28 1.69 0.00 0.27 -0.06 120.51 118.46 2dzl n ALA 35 Ca 0.02 0.91 -0.11 0.00 0.00 0.00 0.00 53.44 54.27 2dzl n ALA 35 Cb 0.25 -0.29 -0.09 0.00 0.00 0.00 0.00 19.45 19.31 2dzl n ALA 35 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2dzl h LYS 36 N 0.00 -0.12 0.06 0.00 3.64 -0.19 1.49 116.57 121.45 2dzl h LYS 36 Ca 0.25 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2dzl h LYS 36 Cb 0.50 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2dzl h LYS 36 CO -0.95 -0.08 -0.06 1.96 -2.27 0.00 0.00 179.45 178.05 2dzl h GLN 37 N -0.12 -0.12 -0.71 1.90 4.20 -0.04 0.23 115.11 120.45 2dzl h GLN 37 Ca 0.11 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.90 2dzl h GLN 37 Cb 0.42 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.14 2dzl h GLN 37 CO -0.72 -0.08 -0.42 -0.07 -0.67 0.00 0.00 178.83 176.86 2dzl h LEU 38 N -0.13 -1.56 -0.23 1.46 4.07 0.03 1.23 115.31 120.18 2dzl h LEU 38 Ca -0.01 0.24 0.02 0.00 0.08 0.00 0.00 57.88 58.21 2dzl h LEU 38 Cb 0.11 0.69 -0.04 0.00 1.08 0.00 0.00 40.66 42.50 2dzl h LEU 38 CO -0.01 -0.17 -0.22 -0.07 -1.08 0.00 0.00 178.44 176.90 2dzl h LEU 39 N -0.01 -0.75 -0.48 1.67 3.38 0.22 0.58 115.31 119.92 2dzl h LEU 39 Ca 0.11 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.27 2dzl h LEU 39 Cb 0.30 0.32 -0.10 0.00 0.09 0.00 0.00 40.66 41.27 2dzl h LEU 39 CO -0.67 -0.13 -0.39 -0.61 0.09 0.00 0.00 178.44 176.73 2dzl h GLN 40 N -0.10 -0.25 -0.12 1.13 4.15 0.10 1.93 115.11 121.95 2dzl h GLN 40 Ca 0.04 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.51 2dzl h GLN 40 Cb 0.21 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.95 2dzl h GLN 40 CO -0.27 -0.16 0.35 0.00 -1.93 0.00 0.00 178.83 176.82 2dzl h ALA 41 N 0.67 1.57 -0.54 3.38 0.00 0.28 1.44 119.26 126.05 2dzl h ALA 41 Ca 0.18 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.84 2dzl h ALA 41 Cb 0.56 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.22 2dzl h ALA 41 CO -0.61 -0.42 0.15 0.00 0.00 0.00 0.00 179.25 178.37 2dzl n ALA 42 N -2.04 4.47 -1.75 0.00 0.00 0.52 -4.89 120.51 116.82 2dzl n ALA 42 Ca 0.01 -2.86 -0.14 0.00 0.00 0.00 0.00 53.44 50.44 2dzl n ALA 42 Cb 0.44 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 2dzl n ALA 42 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2dzl n HIS 43 N -0.92 -0.65 -2.04 0.00 -0.00 0.49 0.20 115.22 112.30 2dzl n HIS 43 Ca 0.39 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 58.02 2dzl n HIS 43 Cb 1.22 -2.81 -0.01 0.00 -0.00 0.00 0.00 29.99 28.39 2dzl n HIS 43 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 176.34 177.25 2dzl n TRP 44 N -2.46 -0.38 -2.99 4.41 7.02 0.53 -4.90 117.44 118.67 2dzl n TRP 44 Ca -0.15 0.00 -0.44 0.00 -1.02 0.00 0.00 57.50 55.89 2dzl n TRP 44 Cb 0.52 -2.25 -0.01 0.00 -2.42 0.00 0.00 31.31 27.15 2dzl n TRP 44 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 2dzl s GLN 45 N -4.21 4.00 0.10 -0.99 -1.52 0.53 -4.89 119.66 112.68 2dzl s GLN 45 Ca 0.00 -2.49 -0.20 0.00 -1.95 0.00 0.00 55.36 50.72 2dzl s GLN 45 Cb 0.00 -4.98 -0.05 0.00 -0.22 0.00 0.00 33.01 27.77 2dzl s GLN 45 CO 0.00 -1.71 1.19 0.34 -0.25 0.00 0.00 175.29 174.86 2dzl n PHE 46 N 5.50 -0.29 -0.02 0.91 -0.00 -1.26 0.19 117.46 122.49 2dzl n PHE 46 Ca 0.33 0.82 -0.01 0.00 -0.00 0.00 0.00 57.45 58.59 2dzl n PHE 46 Cb 0.44 -0.53 -0.01 0.00 -0.00 0.00 0.00 39.48 39.38 2dzl n PHE 46 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 2dzl h GLU 47 N 0.00 -0.01 0.12 -4.13 5.08 -1.97 1.52 114.58 115.20 2dzl h GLU 47 Ca 0.10 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2dzl h GLU 47 Cb 0.27 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 2dzl h GLU 47 CO -0.62 -0.01 -0.39 1.15 -1.00 0.00 0.00 179.01 178.15 2dzl h THR 48 N -0.01 0.20 -0.56 1.13 2.02 -1.56 1.21 112.91 115.34 2dzl h THR 48 Ca 0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.25 2dzl h THR 48 Cb 0.03 0.20 -0.09 0.00 -1.74 0.00 0.00 68.15 66.55 2dzl h THR 48 CO -0.05 0.00 -0.56 0.00 0.37 0.00 0.00 175.52 175.28 2dzl h ALA 49 N -0.09 -0.71 0.68 6.16 0.00 0.27 1.33 119.26 126.89 2dzl h ALA 49 Ca 0.02 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2dzl h ALA 49 Cb 0.65 1.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 2dzl h ALA 49 CO -0.23 -1.02 -0.42 1.25 0.00 0.00 0.00 179.25 178.84 2dzl h LEU 50 N -0.28 -1.06 -0.98 0.00 5.85 0.25 0.61 115.31 119.70 2dzl h LEU 50 Ca 0.09 0.06 0.34 0.00 0.84 0.00 0.00 57.88 59.21 2dzl h LEU 50 Cb 0.53 0.31 -0.17 0.00 0.37 0.00 0.00 40.66 41.70 2dzl h LEU 50 CO -0.68 -0.64 0.33 0.28 -0.34 0.00 0.00 178.44 177.39 2dzl h SER 51 N -1.03 0.02 0.05 1.25 0.02 0.22 0.42 113.55 114.52 2dzl h SER 51 Ca -0.09 0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2dzl h SER 51 Cb 0.82 0.33 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2dzl h SER 51 CO 0.09 -0.35 -0.03 0.74 -1.14 0.00 0.00 176.83 176.15 2dzl h THR 52 N 0.06 0.00 -0.88 -2.27 2.02 0.23 0.16 112.91 112.23 2dzl h THR 52 Ca 0.72 -0.06 0.35 0.00 0.77 0.00 0.00 66.41 68.18 2dzl h THR 52 Cb 1.71 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 67.96 2dzl h THR 52 CO -0.79 0.00 0.39 0.33 0.37 0.00 0.00 175.52 175.82 2dzl n PHE 53 N -2.37 0.95 0.09 3.16 7.35 0.21 0.13 117.46 126.98 2dzl n PHE 53 Ca -0.01 1.05 -0.07 0.00 -0.76 0.00 0.00 57.45 57.66 2dzl n PHE 53 Cb 0.03 -1.40 -0.04 0.00 0.35 0.00 0.00 39.48 38.42 2dzl n PHE 53 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2dzl h PHE 54 N 0.00 -0.31 0.00 -5.13 -1.00 -0.25 -3.15 116.94 107.10 2dzl h PHE 54 Ca 0.71 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 61.48 2dzl h PHE 54 Cb 1.83 0.10 0.00 0.00 3.61 0.00 0.00 35.95 41.49 2dzl h PHE 54 CO -0.09 -0.11 0.27 1.96 -1.61 0.00 0.00 178.31 178.73 2dzl h GLN 55 N -1.06 0.00 0.44 1.51 1.08 0.23 -1.32 115.11 115.99 2dzl h GLN 55 Ca -0.03 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 2dzl h GLN 55 Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 2dzl h GLN 55 CO 0.06 0.00 -0.21 0.93 -0.95 0.00 0.00 178.83 178.66 2dzl h GLU 56 N 0.00 -0.57 -2.73 1.46 4.39 0.11 -3.28 114.58 113.96 2dzl h GLU 56 Ca 0.00 0.04 -0.62 0.00 0.34 0.00 0.00 59.36 59.12 2dzl h GLU 56 Cb 0.54 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.29 2dzl h GLU 56 CO 0.00 -0.28 2.82 0.25 -1.16 0.00 0.00 179.01 180.65 2dzl n THR 57 N -5.19 4.35 -3.64 1.13 -2.24 -0.50 -4.76 114.28 103.43 2dzl n THR 57 Ca -0.09 -2.90 -0.09 0.00 -2.27 0.00 0.00 64.05 58.70 2dzl n THR 57 Cb 0.28 -2.36 -0.07 0.00 -2.10 0.00 0.00 70.33 66.08 2dzl n THR 57 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2dzl s ASN 58 N 1.62 -0.46 0.46 3.42 2.47 -1.24 -5.01 114.94 116.20 2dzl s ASN 58 Ca 0.65 0.88 -0.10 0.00 0.42 0.00 0.00 52.86 54.71 2dzl s ASN 58 Cb 0.21 0.90 -0.06 0.00 -1.45 0.00 0.00 41.25 40.85 2dzl s ASN 58 CO -0.07 -0.15 0.82 0.27 -3.72 0.00 0.00 177.10 174.25 2dzl s ILE 59 N 0.25 4.78 1.07 -5.21 -4.36 -1.26 -4.95 121.20 111.53 2dzl s ILE 59 Ca 0.03 0.60 -0.17 0.00 -0.26 0.00 0.00 60.65 60.85 2dzl s ILE 59 Cb -0.05 -3.78 0.23 0.00 1.25 0.00 0.00 42.46 40.11 2dzl s ILE 59 CO -0.06 -0.69 1.21 -2.16 0.24 0.00 0.00 174.94 173.48 2dzl s PRO 60 N -4.24 -0.16 -0.64 0.37 0.04 -1.26 -5.02 135.00 124.08 2dzl s PRO 60 Ca 0.51 -0.20 0.01 0.00 0.04 0.00 0.00 61.00 61.37 2dzl s PRO 60 Cb -0.10 -1.73 0.16 0.00 0.04 0.00 0.00 34.50 32.86 2dzl s PRO 60 CO 0.37 -2.98 0.43 -0.80 0.04 0.00 0.00 177.00 174.06 2dzl s ASN 61 N -4.37 4.90 0.12 6.66 0.01 -1.26 -4.68 114.94 116.32 2dzl s ASN 61 Ca 0.72 -3.24 0.00 0.00 -0.71 0.00 0.00 52.86 49.62 2dzl s ASN 61 Cb -0.07 -1.74 0.00 0.00 0.41 0.00 0.00 41.25 39.85 2dzl s ASN 61 CO 0.54 -0.23 0.00 -1.20 -1.51 0.00 0.00 177.10 174.70 2dzl n SER 62 N 2.87 -1.10 -1.51 -1.22 7.64 -1.26 -5.15 113.62 113.89 2dzl n SER 62 Ca 0.11 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.35 2dzl n SER 62 Cb 0.35 1.27 0.00 0.00 -1.01 0.00 0.00 64.21 64.82 2dzl n SER 62 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2dzl n HIS 63 N -2.74 -3.49 -1.63 1.43 -0.00 -1.26 -4.84 115.22 102.70 2dzl n HIS 63 Ca 0.00 2.01 -0.45 0.00 -0.00 0.00 0.00 57.72 59.28 2dzl n HIS 63 Cb 0.00 -3.15 -0.02 0.00 -0.00 0.00 0.00 29.99 26.82 2dzl n HIS 63 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2dzl n HIS 64 N 0.96 1.70 -2.79 1.57 -0.00 -1.26 -4.94 115.22 110.45 2dzl n HIS 64 Ca 0.00 0.60 0.02 0.00 0.46 0.00 0.00 57.72 58.80 2dzl n HIS 64 Cb 0.00 -2.34 0.01 0.00 -0.12 0.00 0.00 29.99 27.53 2dzl n HIS 64 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2dzl s HIS 65 N -0.62 -0.45 -2.27 1.57 5.04 -1.26 -5.30 115.29 111.99 2dzl s HIS 65 Ca 0.63 0.06 0.30 0.00 -1.54 0.00 0.00 55.06 54.51 2dzl s HIS 65 Cb -0.69 0.08 1.45 0.00 0.04 0.00 0.00 32.58 33.46 2dzl s HIS 65 CO 0.56 -0.31 1.97 1.58 -2.34 0.00 0.00 174.74 176.21