#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dzl s SER 2 N 0.00 -0.49 0.53 1.61 0.15 -1.26 -5.17 113.70 109.08 2dzl s SER 2 Ca 0.00 0.14 -0.03 0.00 0.70 0.00 0.00 55.95 56.76 2dzl s SER 2 Cb 0.00 1.34 0.01 0.00 -1.71 0.00 0.00 66.02 65.66 2dzl s SER 2 CO 0.00 -0.09 0.80 -0.44 1.20 0.00 0.00 173.24 174.71 2dzl s SER 3 N 2.95 5.62 0.03 5.45 0.01 -1.26 -5.09 113.70 121.41 2dzl s SER 3 Ca 0.16 0.44 -0.27 0.00 1.31 0.00 0.00 55.95 57.59 2dzl s SER 3 Cb -0.05 -1.51 0.09 0.00 0.21 0.00 0.00 66.02 64.76 2dzl s SER 3 CO -0.19 -0.95 1.23 -0.83 0.41 0.00 0.00 173.24 172.92 2dzl s GLY 4 N -4.29 -0.10 -0.32 3.44 0.00 -1.26 -5.09 107.32 99.70 2dzl s GLY 4 Ca 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 44.72 45.17 2dzl s GLY 4 CO 0.41 4.41 0.27 1.44 0.00 0.00 0.00 173.10 179.63 2dzl n SER 5 N -1.05 -7.23 -3.65 1.64 7.64 -1.26 -5.07 113.62 104.64 2dzl n SER 5 Ca 0.01 0.85 -0.02 0.00 1.01 0.00 0.00 58.87 60.73 2dzl n SER 5 Cb 0.59 -4.82 -0.06 0.00 -1.01 0.00 0.00 64.21 58.91 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 -1.93 -0.42 0.00 6.43 0.01 -1.26 -5.11 113.70 111.43 2dzl s SER 6 Ca 0.11 0.67 0.00 0.00 1.31 0.00 0.00 55.95 58.04 2dzl s SER 6 Cb -0.03 1.14 0.00 0.00 0.21 0.00 0.00 66.02 67.34 2dzl s SER 6 CO 0.68 -0.11 0.09 0.61 0.41 0.00 0.00 173.24 174.92 2dzl n GLY 7 N 3.50 -1.94 3.59 3.44 0.00 -1.26 -4.36 105.19 108.16 2dzl n GLY 7 Ca -0.18 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2dzl n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dzl s MET 8 N -0.17 3.10 0.38 1.61 -2.45 -1.26 -4.38 119.30 116.12 2dzl s MET 8 Ca 0.00 1.54 0.00 0.00 -1.25 0.00 0.00 55.69 55.98 2dzl s MET 8 Cb 0.00 -4.30 0.00 0.00 1.25 0.00 0.00 34.83 31.78 2dzl s MET 8 CO 0.00 -2.14 0.00 0.45 1.05 0.00 0.00 175.02 174.38 2dzl n SER 9 N 11.45 -3.29 -4.33 1.11 2.88 -1.26 -5.13 113.62 115.05 2dzl n SER 9 Ca 0.26 0.73 -0.43 0.00 -1.33 0.00 0.00 58.87 58.10 2dzl n SER 9 Cb 0.47 3.15 -0.01 0.00 -0.75 0.00 0.00 64.21 67.08 2dzl n SER 9 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2dzl n VAL 10 N -3.28 0.92 -3.61 2.46 3.14 -1.26 -4.96 118.33 111.75 2dzl n VAL 10 Ca 0.00 -0.50 -0.04 0.00 -2.96 0.00 0.00 64.34 60.84 2dzl n VAL 10 Cb 0.00 -0.05 -0.01 0.00 -1.06 0.00 0.00 33.84 32.71 2dzl n VAL 10 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2dzl s ASN 11 N -1.00 -0.17 -0.63 6.55 2.20 -1.26 -5.06 114.94 115.58 2dzl s ASN 11 Ca 0.60 -0.11 -0.07 0.00 -0.94 0.00 0.00 52.86 52.35 2dzl s ASN 11 Cb -0.67 0.26 0.01 0.00 -2.00 0.00 0.00 41.25 38.85 2dzl s ASN 11 CO 0.61 -0.45 0.66 0.23 -2.94 0.00 0.00 177.10 175.21 2dzl n MET 12 N -0.30 -1.72 0.05 3.55 2.81 -1.26 -4.90 117.12 115.36 2dzl n MET 12 Ca -0.05 1.67 -0.07 0.00 -1.81 0.00 0.00 57.70 57.44 2dzl n MET 12 Cb 0.61 -5.41 -0.04 0.00 -0.71 0.00 0.00 33.22 27.66 2dzl n MET 12 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 2dzl h ASP 13 N 1.00 -0.20 0.39 7.83 5.19 -2.00 -2.96 116.42 125.68 2dzl h ASP 13 Ca -0.06 -0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.17 2dzl h ASP 13 Cb 1.04 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.59 2dzl h ASP 13 CO 0.27 0.34 -0.26 -0.33 -3.12 0.00 0.00 179.24 176.14 2dzl h GLU 14 N -1.01 -0.60 -0.70 3.56 5.08 -2.00 -2.76 114.58 116.15 2dzl h GLU 14 Ca -0.02 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2dzl h GLU 14 Cb 0.36 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.66 2dzl h GLU 14 CO 0.04 -0.40 -0.46 -0.07 -1.00 0.00 0.00 179.01 177.12 2dzl h LEU 15 N -0.63 -1.66 -0.98 1.33 4.07 -1.96 0.93 115.31 116.41 2dzl h LEU 15 Ca -0.04 0.25 0.10 0.00 0.08 0.00 0.00 57.88 58.27 2dzl h LEU 15 Cb 0.52 0.72 -0.13 0.00 1.08 0.00 0.00 40.66 42.86 2dzl h LEU 15 CO 0.03 -0.21 -0.56 -0.09 -1.08 0.00 0.00 178.44 176.54 2dzl h ARG 16 N -0.06 -0.01 -0.11 1.13 1.12 -1.38 0.12 114.38 115.20 2dzl h ARG 16 Ca 0.11 0.00 0.01 0.00 -1.11 0.00 0.00 59.98 58.99 2dzl h ARG 16 Cb 0.35 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.29 2dzl h ARG 16 CO -0.69 -0.01 -0.11 1.25 -3.11 0.00 0.00 179.97 177.31 2dzl h HIS 17 N -0.01 -0.33 -0.93 2.20 2.76 -0.57 0.61 115.15 118.89 2dzl h HIS 17 Ca 0.19 0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.50 2dzl h HIS 17 Cb 0.45 0.16 -0.14 0.00 1.55 0.00 0.00 27.41 29.43 2dzl h HIS 17 CO -0.99 -0.08 -0.47 0.37 -1.30 0.00 0.00 177.93 175.45 2dzl h GLN 18 N -0.05 -0.04 -0.22 5.26 4.15 -0.10 0.33 115.11 124.45 2dzl h GLN 18 Ca 0.02 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.50 2dzl h GLN 18 Cb 0.10 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.73 2dzl h GLN 18 CO -0.13 -0.03 -0.34 0.28 -1.93 0.00 0.00 178.83 176.69 2dzl h VAL 19 N -0.04 0.24 -0.11 2.39 2.07 0.41 -1.12 116.25 120.09 2dzl h VAL 19 Ca 0.25 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.79 2dzl h VAL 19 Cb 0.53 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2dzl h VAL 19 CO -0.92 0.00 -0.19 0.24 0.02 0.00 0.00 177.57 176.72 2dzl h MET 20 N -0.36 -0.15 -0.57 1.57 2.86 0.39 0.27 114.93 118.93 2dzl h MET 20 Ca 0.12 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.82 2dzl h MET 20 Cb 0.56 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.18 2dzl h MET 20 CO -0.42 -0.10 -0.34 0.82 1.06 0.00 0.00 176.91 177.92 2dzl h ILE 21 N -0.16 0.00 -0.98 -1.22 2.04 -0.64 0.29 117.51 116.83 2dzl h ILE 21 Ca 0.02 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.97 2dzl h ILE 21 Cb 0.22 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.18 2dzl h ILE 21 CO -0.19 0.00 -0.57 -3.20 0.00 0.00 0.00 178.15 174.19 2dzl n ASN 22 N -4.30 -1.03 -0.04 1.72 2.85 -0.45 -0.48 115.26 113.53 2dzl n ASN 22 Ca 0.01 1.75 -0.15 0.00 -0.11 0.00 0.00 54.58 56.09 2dzl n ASN 22 Cb 0.15 -0.23 -0.09 0.00 1.24 0.00 0.00 39.78 40.84 2dzl n ASN 22 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 2dzl h GLN 23 N 0.00 -0.51 -1.15 1.20 4.20 0.14 0.25 115.11 119.24 2dzl h GLN 23 Ca 0.17 0.04 0.34 0.00 0.06 0.00 0.00 58.65 59.25 2dzl h GLN 23 Cb 0.41 0.12 -0.11 0.00 0.30 0.00 0.00 27.48 28.20 2dzl h GLN 23 CO -0.93 -0.34 0.73 0.35 -0.67 0.00 0.00 178.83 177.97 2dzl h PHE 24 N -0.53 0.62 -0.33 2.96 3.04 0.21 1.74 116.94 124.65 2dzl h PHE 24 Ca 0.05 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.88 2dzl h PHE 24 Cb 0.66 -0.17 -0.00 0.00 2.56 0.00 0.00 35.95 39.00 2dzl h PHE 24 CO -0.61 -0.07 -0.37 0.28 -2.02 0.00 0.00 178.31 175.53 2dzl h VAL 25 N 0.26 1.29 -0.09 1.41 2.07 0.21 -2.07 116.25 119.32 2dzl h VAL 25 Ca 0.70 -1.54 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 2dzl h VAL 25 Cb 1.96 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 2dzl h VAL 25 CO -0.37 0.50 -0.19 -0.07 0.02 0.00 0.00 177.57 177.46 2dzl h LEU 26 N 0.60 0.32 -0.37 2.57 3.38 0.34 1.16 115.31 123.31 2dzl h LEU 26 Ca 0.05 -0.57 0.08 0.00 0.09 0.00 0.00 57.88 57.52 2dzl h LEU 26 Cb 0.95 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.52 2dzl h LEU 26 CO 0.09 0.83 -0.32 0.00 0.09 0.00 0.00 178.44 179.13 2dzl h ALA 27 N 0.50 -0.19 -1.91 1.53 0.00 0.21 -3.33 119.26 116.06 2dzl h ALA 27 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2dzl h ALA 27 Cb 0.78 0.68 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2dzl h ALA 27 CO 0.04 -0.73 0.00 0.00 0.00 0.00 0.00 179.25 178.56 2dzl n ALA 28 N -2.98 0.00 0.00 0.00 0.00 -0.78 -5.06 120.51 111.69 2dzl n ALA 28 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2dzl n ALA 28 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 2.26 0.81 2.86 0.00 0.00 0.40 -5.05 105.19 106.47 2dzl n GLY 29 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2dzl n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dzl n ALA 31 N -1.90 -1.79 0.02 0.00 0.00 -1.26 -4.81 120.51 110.77 2dzl n ALA 31 Ca -0.15 -0.50 -0.19 0.00 0.00 0.00 0.00 53.44 52.60 2dzl n ALA 31 Cb 0.49 -1.93 -0.14 0.00 0.00 0.00 0.00 19.45 17.87 2dzl n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dzl h ALA 32 N -1.31 -0.03 -0.98 0.00 0.00 -1.97 -3.29 119.26 111.67 2dzl h ALA 32 Ca -0.44 -0.73 0.31 0.00 0.00 0.00 0.00 54.91 54.05 2dzl h ALA 32 Cb 1.29 0.15 -0.15 0.00 0.00 0.00 0.00 17.79 19.08 2dzl h ALA 32 CO 0.38 0.38 0.49 0.22 0.00 0.00 0.00 179.25 180.72 2dzl h ASP 33 N -0.50 0.38 0.05 0.00 1.82 -2.01 0.51 116.42 116.67 2dzl h ASP 33 Ca -0.14 0.20 0.01 0.00 -0.39 0.00 0.00 57.03 56.70 2dzl h ASP 33 Cb 1.53 0.18 -0.01 0.00 0.68 0.00 0.00 39.33 41.70 2dzl h ASP 33 CO 0.10 -0.16 -0.08 1.56 -1.61 0.00 0.00 179.24 179.05 2dzl h GLN 34 N 0.28 -0.16 -0.36 0.28 1.08 -1.94 -2.69 115.11 111.59 2dzl h GLN 34 Ca 0.70 0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.94 2dzl h GLN 34 Cb 1.58 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 29.00 2dzl h GLN 34 CO -0.63 -0.11 -0.23 0.00 -0.95 0.00 0.00 178.83 176.92 2dzl h ALA 35 N 0.77 -0.24 -0.12 3.87 0.00 -0.05 1.37 119.26 124.86 2dzl h ALA 35 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2dzl h ALA 35 Cb 0.18 1.12 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2dzl h ALA 35 CO -0.05 -0.39 0.00 1.17 0.00 0.00 0.00 179.25 179.98 2dzl n LYS 36 N -3.85 0.00 -0.04 0.00 4.81 -1.11 0.15 118.16 118.13 2dzl n LYS 36 Ca 0.01 0.93 -0.03 0.00 -0.87 0.00 0.00 58.31 58.34 2dzl n LYS 36 Cb 0.10 -1.48 -0.02 0.00 0.02 0.00 0.00 35.03 33.65 2dzl n LYS 36 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2dzl h GLN 37 N 0.00 -0.08 -0.31 1.64 4.20 -0.99 1.02 115.11 120.59 2dzl h GLN 37 Ca 0.00 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.74 2dzl h GLN 37 Cb 0.00 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 2dzl h GLN 37 CO 0.00 -0.05 -0.19 -0.07 -0.67 0.00 0.00 178.83 177.85 2dzl h LEU 38 N -0.08 -0.70 -0.14 1.46 4.07 0.23 1.49 115.31 121.64 2dzl h LEU 38 Ca 0.02 0.11 0.02 0.00 0.08 0.00 0.00 57.88 58.10 2dzl h LEU 38 Cb 0.13 0.31 -0.03 0.00 1.08 0.00 0.00 40.66 42.15 2dzl h LEU 38 CO -0.14 -0.08 -0.18 -0.07 -1.08 0.00 0.00 178.44 176.89 2dzl h LEU 39 N -0.01 -0.60 -0.46 1.67 3.38 0.19 0.82 115.31 120.31 2dzl h LEU 39 Ca 0.05 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.14 2dzl h LEU 39 Cb 0.14 0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 2dzl h LEU 39 CO -0.30 -0.13 -0.37 -0.61 0.09 0.00 0.00 178.44 177.12 2dzl h GLN 40 N -0.12 -0.13 -0.48 1.13 4.15 0.21 2.15 115.11 122.02 2dzl h GLN 40 Ca 0.02 0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.59 2dzl h GLN 40 Cb 0.19 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 2dzl h GLN 40 CO -0.20 -0.08 0.56 0.00 -1.93 0.00 0.00 178.83 177.18 2dzl h ALA 41 N -0.26 2.20 -0.98 3.38 0.00 0.26 1.59 119.26 125.45 2dzl h ALA 41 Ca 0.08 -0.02 -0.54 0.00 0.00 0.00 0.00 54.91 54.43 2dzl h ALA 41 Cb 0.33 0.04 -0.30 0.00 0.00 0.00 0.00 17.79 17.85 2dzl h ALA 41 CO -0.50 -0.81 0.67 0.00 0.00 0.00 0.00 179.25 178.61 2dzl n ALA 42 N -2.29 5.70 -1.58 0.00 0.00 0.58 -4.85 120.51 118.07 2dzl n ALA 42 Ca 0.09 -3.02 -0.11 0.00 0.00 0.00 0.00 53.44 50.41 2dzl n ALA 42 Cb 0.75 -1.48 -0.04 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.11 -0.73 -2.83 0.00 -0.00 0.54 0.22 115.22 111.31 2dzl n HIS 43 Ca 0.60 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 58.19 2dzl n HIS 43 Cb 1.47 -2.32 0.03 0.00 -0.00 0.00 0.00 29.99 29.17 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 -2.07 -1.26 -2.84 4.41 7.02 0.59 -4.91 117.44 118.39 2dzl n TRP 44 Ca -0.11 0.38 -0.43 0.00 -1.02 0.00 0.00 57.50 56.32 2dzl n TRP 44 Cb 0.41 -3.01 0.00 0.00 -2.42 0.00 0.00 31.31 26.29 2dzl n TRP 44 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 2dzl n GLN 45 N -2.68 3.82 -0.30 -0.99 6.02 0.58 -4.88 117.38 118.96 2dzl n GLN 45 Ca -0.04 -4.07 -0.07 0.00 -0.01 0.00 0.00 57.00 52.81 2dzl n GLN 45 Cb 0.55 -2.75 -0.06 0.00 1.02 0.00 0.00 30.24 29.00 2dzl n GLN 45 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2dzl n PHE 46 N 3.23 -0.27 -0.03 1.08 -0.00 -1.26 0.17 117.46 120.38 2dzl n PHE 46 Ca 0.32 0.89 -0.02 0.00 -0.00 0.00 0.00 57.45 58.63 2dzl n PHE 46 Cb 0.37 -0.58 -0.02 0.00 -0.00 0.00 0.00 39.48 39.25 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 -0.06 0.48 -4.13 4.39 -1.97 1.51 114.58 114.79 2dzl h GLU 47 Ca 0.13 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 2dzl h GLU 47 Cb 0.31 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2dzl h GLU 47 CO -0.67 -0.04 -0.41 1.15 -1.16 0.00 0.00 179.01 177.88 2dzl h THR 48 N -0.07 0.00 -0.93 1.13 2.02 -1.29 0.58 112.91 114.35 2dzl h THR 48 Ca 0.01 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.33 2dzl h THR 48 Cb 0.10 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 66.36 2dzl h THR 48 CO -0.11 0.00 -0.40 0.00 0.37 0.00 0.00 175.52 175.37 2dzl h ALA 49 N -1.14 0.05 -0.00 6.16 0.00 0.20 0.77 119.26 125.30 2dzl h ALA 49 Ca -0.06 0.24 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2dzl h ALA 49 Cb 0.73 1.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.53 2dzl h ALA 49 CO -0.01 -0.67 -0.08 1.25 0.00 0.00 0.00 179.25 179.74 2dzl h LEU 50 N -0.03 -0.23 -0.38 0.00 5.85 0.25 0.10 115.31 120.87 2dzl h LEU 50 Ca 0.31 0.04 0.08 0.00 0.84 0.00 0.00 57.88 59.14 2dzl h LEU 50 Cb 0.57 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.61 2dzl h LEU 50 CO -0.94 -0.12 -0.30 -1.28 -0.34 0.00 0.00 178.44 175.47 2dzl h SER 51 N -0.14 -0.98 0.19 1.25 0.87 0.52 0.56 113.55 115.82 2dzl h SER 51 Ca 0.03 0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 2dzl h SER 51 Cb 0.18 0.47 -0.00 0.00 -0.44 0.00 0.00 62.40 62.61 2dzl h SER 51 CO -0.08 -0.30 -0.12 0.74 -0.53 0.00 0.00 176.83 176.53 2dzl h THR 52 N -0.24 0.00 -1.06 2.23 2.02 0.65 0.22 112.91 116.73 2dzl h THR 52 Ca 0.17 0.00 0.40 0.00 0.77 0.00 0.00 66.41 67.75 2dzl h THR 52 Cb 0.52 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 66.79 2dzl h THR 52 CO -0.51 0.00 0.64 0.33 0.37 0.00 0.00 175.52 176.35 2dzl n PHE 53 N -2.99 0.81 -0.03 3.16 -0.00 0.32 0.16 117.46 118.90 2dzl n PHE 53 Ca -0.04 0.82 -0.15 0.00 -0.00 0.00 0.00 57.45 58.09 2dzl n PHE 53 Cb 0.13 -1.24 -0.10 0.00 -0.00 0.00 0.00 39.48 38.26 2dzl n PHE 53 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.76 177.50 2dzl h PHE 54 N 0.00 0.29 -0.14 -5.13 0.04 -0.41 -3.08 116.94 108.49 2dzl h PHE 54 Ca 0.77 -0.13 0.04 0.00 2.80 0.00 0.00 57.97 61.44 2dzl h PHE 54 Cb 2.27 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 40.37 2dzl h PHE 54 CO -0.01 0.88 0.48 1.96 -0.60 0.00 0.00 178.31 181.02 2dzl h GLN 55 N -0.39 0.00 0.54 1.51 4.20 0.50 -1.54 115.11 119.93 2dzl h GLN 55 Ca -0.02 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2dzl h GLN 55 Cb 0.92 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.70 2dzl h GLN 55 CO 0.05 0.00 -0.33 0.93 -0.67 0.00 0.00 178.83 178.81 2dzl h GLU 56 N 0.00 -0.78 -6.96 1.46 5.08 -1.21 -3.45 114.58 108.72 2dzl h GLU 56 Ca 0.07 0.05 -0.59 0.00 -1.00 0.00 0.00 59.36 57.89 2dzl h GLU 56 Cb 1.03 0.18 -0.34 0.00 0.50 0.00 0.00 28.75 30.12 2dzl h GLU 56 CO -0.00 -0.52 -0.87 -2.37 -1.00 0.00 0.00 179.01 174.25 2dzl n THR 57 N -4.41 -0.16 -1.54 1.13 5.66 -0.58 -4.63 114.28 109.74 2dzl n THR 57 Ca -0.10 -0.08 -0.34 0.00 -3.05 0.00 0.00 64.05 60.48 2dzl n THR 57 Cb 0.34 -0.55 -0.07 0.00 -1.55 0.00 0.00 70.33 68.49 2dzl n THR 57 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2dzl n ASN 58 N -2.34 1.58 -4.86 1.09 5.15 -1.26 -4.90 115.26 109.72 2dzl n ASN 58 Ca 0.04 -0.45 -0.31 0.00 -0.60 0.00 0.00 54.58 53.25 2dzl n ASN 58 Cb 0.46 -1.38 -0.02 0.00 -0.53 0.00 0.00 39.78 38.31 2dzl n ASN 58 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2dzl s ILE 59 N 11.20 4.65 0.76 -1.44 -0.00 -1.26 -5.05 121.20 130.06 2dzl s ILE 59 Ca 1.09 0.95 -0.11 0.00 -0.00 0.00 0.00 60.65 62.58 2dzl s ILE 59 Cb -0.47 -3.78 0.05 0.00 -0.00 0.00 0.00 42.46 38.26 2dzl s ILE 59 CO 0.31 -0.83 1.08 -2.16 -0.00 0.00 0.00 174.94 173.35 2dzl s PRO 60 N -4.45 2.37 -0.82 0.37 0.04 -1.26 -4.99 135.00 126.25 2dzl s PRO 60 Ca 0.56 0.75 -0.15 0.00 0.04 0.00 0.00 61.00 62.19 2dzl s PRO 60 Cb -0.10 -1.94 0.19 0.00 0.04 0.00 0.00 34.50 32.69 2dzl s PRO 60 CO 0.40 -1.45 0.83 1.21 0.04 0.00 0.00 177.00 178.03 2dzl s ASN 61 N -3.87 6.69 0.37 6.66 2.47 -1.26 -4.48 114.94 121.51 2dzl s ASN 61 Ca 0.60 -2.47 0.00 0.00 0.42 0.00 0.00 52.86 51.41 2dzl s ASN 61 Cb -0.14 -2.25 0.00 0.00 -1.45 0.00 0.00 41.25 37.41 2dzl s ASN 61 CO 0.54 -0.71 0.00 -0.24 -3.72 0.00 0.00 177.10 172.98 2dzl n SER 62 N 4.65 -3.13 -0.02 -4.21 2.88 -1.26 -5.00 113.62 107.53 2dzl n SER 62 Ca 0.14 0.70 -0.00 0.00 -1.33 0.00 0.00 58.87 58.37 2dzl n SER 62 Cb 0.47 3.02 -0.00 0.00 -0.75 0.00 0.00 64.21 66.94 2dzl n SER 62 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2dzl h HIS 63 N 0.00 -0.03 -5.76 0.66 -0.00 -2.02 -3.49 115.15 104.52 2dzl h HIS 63 Ca 0.00 -0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.22 2dzl h HIS 63 Cb 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 27.41 27.43 2dzl h HIS 63 CO 0.00 -0.02 -0.74 1.58 -0.00 0.00 0.00 177.93 178.75 2dzl n HIS 64 N -3.73 -3.17 -4.03 5.26 -0.00 -1.26 -5.03 115.22 103.27 2dzl n HIS 64 Ca -0.00 1.29 -0.12 0.00 -0.00 0.00 0.00 57.72 58.88 2dzl n HIS 64 Cb 0.01 -3.27 -0.12 0.00 -0.00 0.00 0.00 29.99 26.61 2dzl n HIS 64 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2dzl s HIS 65 N -2.25 0.42 -2.56 1.57 2.46 -1.26 -5.22 115.29 108.45 2dzl s HIS 65 Ca 0.28 -0.34 0.28 0.00 0.47 0.00 0.00 55.06 55.75 2dzl s HIS 65 Cb -0.06 -0.26 0.95 0.00 -0.13 0.00 0.00 32.58 33.08 2dzl s HIS 65 CO 0.81 -0.08 1.69 -2.39 -2.47 0.00 0.00 174.74 172.30