#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 4.39 -0.13 1.61 0.01 -1.26 -5.07 113.70 113.24 2dzl s SER 2 Ca 0.00 -0.36 -0.04 0.00 1.31 0.00 0.00 55.95 56.86 2dzl s SER 2 Cb 0.00 -1.75 0.06 0.00 0.21 0.00 0.00 66.02 64.54 2dzl s SER 2 CO 0.00 -0.00 0.14 -0.44 0.41 0.00 0.00 173.24 173.35 2dzl s SER 3 N 1.39 1.42 -0.14 2.44 0.01 -1.26 -5.13 113.70 112.44 2dzl s SER 3 Ca 0.05 -0.12 0.00 0.00 1.31 0.00 0.00 55.95 57.19 2dzl s SER 3 Cb -0.14 0.09 0.02 0.00 0.21 0.00 0.00 66.02 66.20 2dzl s SER 3 CO -0.02 -0.30 -0.13 -0.83 0.41 0.00 0.00 173.24 172.38 2dzl s GLY 4 N 2.24 1.06 0.11 3.44 0.00 -1.26 -4.98 107.32 107.93 2dzl s GLY 4 Ca 0.04 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 43.93 2dzl s GLY 4 CO -0.08 0.60 0.00 1.44 0.00 0.00 0.00 173.10 175.06 2dzl n SER 5 N 4.81 0.82 -1.59 1.64 7.64 -1.26 -5.15 113.62 120.54 2dzl n SER 5 Ca -0.16 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dzl n SER 5 Cb 0.50 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 2dzl n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dzl n SER 6 N -3.42 -8.36 -3.38 6.43 2.88 -1.26 -4.85 113.62 101.66 2dzl n SER 6 Ca 0.00 1.15 -0.34 0.00 -1.33 0.00 0.00 58.87 58.35 2dzl n SER 6 Cb 0.06 -4.16 -0.02 0.00 -0.75 0.00 0.00 64.21 59.34 2dzl n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dzl n GLY 7 N 0.34 5.60 2.79 0.46 0.00 -1.26 -4.87 105.19 108.26 2dzl n GLY 7 Ca 0.00 -2.71 -0.13 0.00 0.00 0.00 0.00 46.02 43.19 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 -3.50 0.79 -0.30 1.61 1.75 -1.26 -5.10 119.30 113.30 2dzl s MET 8 Ca 0.42 -0.98 -0.19 0.00 -1.25 0.00 0.00 55.69 53.69 2dzl s MET 8 Cb 0.20 -0.55 0.19 0.00 2.84 0.00 0.00 34.83 37.51 2dzl s MET 8 CO -0.08 -1.25 1.26 -1.54 -0.65 0.00 0.00 175.02 172.76 2dzl s SER 9 N 1.20 -0.11 -0.11 1.11 1.04 -1.26 -5.12 113.70 110.44 2dzl s SER 9 Ca 0.21 0.14 -0.29 0.00 0.48 0.00 0.00 55.95 56.49 2dzl s SER 9 Cb -0.08 1.12 -0.06 0.00 0.10 0.00 0.00 66.02 67.10 2dzl s SER 9 CO -0.06 -0.02 1.93 0.54 0.98 0.00 0.00 173.24 176.61 2dzl s VAL 10 N 2.19 3.23 0.31 5.02 0.11 -1.26 -4.48 120.40 125.53 2dzl s VAL 10 Ca -0.01 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 2dzl s VAL 10 Cb -0.02 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.61 2dzl s VAL 10 CO -0.15 -0.08 0.00 -3.20 -3.33 0.00 0.00 175.10 168.33 2dzl n ASN 11 N 9.01 -2.76 -4.40 3.54 5.15 -1.26 -5.01 115.26 119.53 2dzl n ASN 11 Ca 0.22 0.60 -0.43 0.00 -0.60 0.00 0.00 54.58 54.37 2dzl n ASN 11 Cb 0.43 2.73 0.00 0.00 -0.53 0.00 0.00 39.78 42.41 2dzl n ASN 11 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2dzl n MET 12 N -3.13 3.31 -0.09 1.20 2.81 -1.26 -4.66 117.12 115.30 2dzl n MET 12 Ca 0.00 -3.56 -0.12 0.00 -1.81 0.00 0.00 57.70 52.21 2dzl n MET 12 Cb 0.00 -3.19 -0.05 0.00 -0.71 0.00 0.00 33.22 29.27 2dzl n MET 12 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2dzl n ASP 13 N 6.39 1.85 0.18 7.83 -0.08 -1.26 -3.89 116.55 127.57 2dzl n ASP 13 Ca 0.42 0.51 -0.13 0.00 -1.51 0.00 0.00 54.79 54.08 2dzl n ASP 13 Cb 0.43 -0.87 -0.08 0.00 2.34 0.00 0.00 41.12 42.94 2dzl n ASP 13 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2dzl h GLU 14 N -1.00 -0.46 -0.94 -0.67 5.08 -2.01 -3.00 114.58 111.58 2dzl h GLU 14 Ca -0.15 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.34 2dzl h GLU 14 Cb 0.88 0.10 -0.13 0.00 0.50 0.00 0.00 28.75 30.11 2dzl h GLU 14 CO -0.09 -0.15 -0.54 -0.07 -1.00 0.00 0.00 179.01 177.17 2dzl h LEU 15 N -0.80 -1.96 -0.69 1.33 4.07 -1.91 0.23 115.31 115.58 2dzl h LEU 15 Ca -0.05 0.32 0.09 0.00 0.08 0.00 0.00 57.88 58.31 2dzl h LEU 15 Cb 0.52 0.89 -0.11 0.00 1.08 0.00 0.00 40.66 43.04 2dzl h LEU 15 CO 0.08 -0.26 -0.50 -0.09 -1.08 0.00 0.00 178.44 176.59 2dzl h ARG 16 N -0.03 -0.18 -0.14 1.13 1.12 -1.67 0.37 114.38 114.97 2dzl h ARG 16 Ca 0.20 0.01 0.02 0.00 -1.11 0.00 0.00 59.98 59.10 2dzl h ARG 16 Cb 0.47 0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 30.43 2dzl h ARG 16 CO -0.92 -0.12 -0.34 1.25 -3.11 0.00 0.00 179.97 176.72 2dzl h HIS 17 N -0.19 -1.03 -0.63 2.20 2.76 -0.48 0.70 115.15 118.48 2dzl h HIS 17 Ca 0.16 0.04 0.10 0.00 -2.20 0.00 0.00 60.37 58.47 2dzl h HIS 17 Cb 0.54 0.47 -0.11 0.00 1.55 0.00 0.00 27.41 29.85 2dzl h HIS 17 CO -0.81 -0.33 -0.41 0.37 -1.30 0.00 0.00 177.93 175.44 2dzl h GLN 18 N -0.33 -0.18 -0.34 5.26 -0.00 0.07 0.20 115.11 119.79 2dzl h GLN 18 Ca 0.03 0.01 0.07 0.00 -0.00 0.00 0.00 58.65 58.76 2dzl h GLN 18 Cb 0.41 0.04 -0.07 0.00 0.00 0.00 0.00 27.48 27.86 2dzl h GLN 18 CO -0.31 -0.12 -0.15 0.28 0.00 0.00 0.00 178.83 178.53 2dzl h VAL 19 N -0.19 0.52 0.01 2.39 2.07 0.56 -1.21 116.25 120.39 2dzl h VAL 19 Ca 0.20 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.73 2dzl h VAL 19 Cb 0.56 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2dzl h VAL 19 CO -0.72 0.00 -0.20 0.24 0.02 0.00 0.00 177.57 176.92 2dzl h MET 20 N -0.10 -0.24 -0.99 1.57 2.86 0.32 0.42 114.93 118.78 2dzl h MET 20 Ca 0.17 0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.96 2dzl h MET 20 Cb 0.36 0.05 -0.15 0.00 0.06 0.00 0.00 31.60 31.93 2dzl h MET 20 CO -0.40 -0.16 -0.46 0.82 1.06 0.00 0.00 176.91 177.77 2dzl h ILE 21 N -0.25 0.00 -0.15 -1.22 2.04 -0.55 0.60 117.51 117.98 2dzl h ILE 21 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 2dzl h ILE 21 Cb 0.27 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.29 2dzl h ILE 21 CO -0.13 0.00 -0.29 -1.13 0.00 0.00 0.00 178.15 176.60 2dzl h ASN 22 N -0.01 -0.92 -0.00 1.72 -0.73 -0.68 0.11 115.58 115.08 2dzl h ASN 22 Ca 0.28 0.14 0.01 0.00 1.87 0.00 0.00 56.30 58.60 2dzl h ASN 22 Cb 0.53 0.40 -0.01 0.00 0.27 0.00 0.00 38.32 39.51 2dzl h ASN 22 CO -0.97 -0.34 -0.14 1.56 -0.37 0.00 0.00 177.43 177.18 2dzl h GLN 23 N -0.36 -0.17 -0.88 6.67 7.50 0.46 0.36 115.11 128.69 2dzl h GLN 23 Ca 0.10 0.01 0.18 0.00 0.50 0.00 0.00 58.65 59.44 2dzl h GLN 23 Cb 0.52 0.04 -0.17 0.00 0.05 0.00 0.00 27.48 27.92 2dzl h GLN 23 CO -0.35 -0.11 -0.23 0.35 -1.50 0.00 0.00 178.83 177.00 2dzl h PHE 24 N -0.17 -0.48 -0.82 2.96 3.04 -0.17 1.81 116.94 123.10 2dzl h PHE 24 Ca 0.00 0.08 0.05 0.00 3.98 0.00 0.00 57.97 62.09 2dzl h PHE 24 Cb 0.19 0.35 -0.05 0.00 2.56 0.00 0.00 35.95 39.00 2dzl h PHE 24 CO -0.41 -0.38 0.54 0.28 -2.02 0.00 0.00 178.31 176.32 2dzl h VAL 25 N -0.00 1.08 0.10 1.41 2.07 -0.09 -0.33 116.25 120.48 2dzl h VAL 25 Ca 0.42 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 2dzl h VAL 25 Cb 0.64 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2dzl h VAL 25 CO -0.91 0.17 -0.05 -0.07 0.02 0.00 0.00 177.57 176.74 2dzl h LEU 26 N 0.94 -0.11 -0.64 2.57 3.38 0.62 1.02 115.31 123.09 2dzl h LEU 26 Ca 0.34 -0.47 0.08 0.00 0.09 0.00 0.00 57.88 57.92 2dzl h LEU 26 Cb 0.16 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.83 2dzl h LEU 26 CO -0.12 0.49 -0.52 0.00 0.09 0.00 0.00 178.44 178.39 2dzl h ALA 27 N -0.09 -0.52 -0.20 1.53 0.00 0.25 -3.21 119.26 117.02 2dzl h ALA 27 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2dzl h ALA 27 Cb 0.58 1.13 0.00 0.00 0.00 0.00 0.00 17.79 19.50 2dzl h ALA 27 CO 0.02 -0.93 0.00 0.00 0.00 0.00 0.00 179.25 178.34 2dzl n ALA 28 N -3.17 -0.05 0.00 0.00 0.00 -0.17 -5.03 120.51 112.08 2dzl n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 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 1.69 1.08 1.07 0.00 0.00 0.35 -5.07 105.19 104.31 2dzl n GLY 29 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.67 -2.98 -0.07 0.00 0.00 -1.26 -4.83 120.51 108.70 2dzl n ALA 31 Ca -0.05 -0.94 -0.08 0.00 0.00 0.00 0.00 53.44 52.37 2dzl n ALA 31 Cb 0.18 -1.79 -0.05 0.00 0.00 0.00 0.00 19.45 17.79 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 -1.98 0.04 -0.93 0.00 0.00 -1.96 -3.34 119.26 111.10 2dzl h ALA 32 Ca -0.50 -0.43 0.25 0.00 0.00 0.00 0.00 54.91 54.22 2dzl h ALA 32 Cb 1.32 0.26 -0.13 0.00 0.00 0.00 0.00 17.79 19.23 2dzl h ALA 32 CO 0.39 0.25 0.43 -0.44 0.00 0.00 0.00 179.25 179.89 2dzl h ASP 33 N -1.00 0.37 -0.49 0.00 3.32 -1.98 0.11 116.42 116.74 2dzl h ASP 33 Ca -0.06 0.17 0.09 0.00 0.02 0.00 0.00 57.03 57.25 2dzl h ASP 33 Cb 0.55 0.14 -0.10 0.00 0.22 0.00 0.00 39.33 40.14 2dzl h ASP 33 CO -0.03 -0.04 -0.37 1.56 -1.72 0.00 0.00 179.24 178.64 2dzl h GLN 34 N 0.38 -0.23 -0.97 3.56 1.08 -1.95 -0.83 115.11 116.15 2dzl h GLN 34 Ca 0.61 0.02 0.10 0.00 -1.45 0.00 0.00 58.65 57.92 2dzl h GLN 34 Cb 1.21 0.05 -0.12 0.00 -0.05 0.00 0.00 27.48 28.57 2dzl h GLN 34 CO -0.56 -0.15 -0.56 0.00 -0.95 0.00 0.00 178.83 176.62 2dzl h ALA 35 N 0.74 -0.44 -0.05 3.87 0.00 -0.89 0.28 119.26 122.76 2dzl h ALA 35 Ca 0.19 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2dzl h ALA 35 Cb 0.56 1.31 0.00 0.00 0.00 0.00 0.00 17.79 19.66 2dzl h ALA 35 CO -0.62 -0.92 0.00 1.17 0.00 0.00 0.00 179.25 178.88 2dzl n LYS 36 N -5.29 0.00 -0.02 0.00 4.81 -0.34 0.19 118.16 117.50 2dzl n LYS 36 Ca 0.03 0.95 -0.02 0.00 -0.87 0.00 0.00 58.31 58.40 2dzl n LYS 36 Cb 0.29 -1.49 -0.01 0.00 0.02 0.00 0.00 35.03 33.83 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 -0.04 -0.61 1.64 4.20 -0.86 1.46 115.11 120.89 2dzl h GLN 37 Ca 0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 2dzl h GLN 37 Cb 0.00 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.71 2dzl h GLN 37 CO 0.00 -0.03 -0.38 -0.07 -0.67 0.00 0.00 178.83 177.68 2dzl h LEU 38 N -0.04 -1.40 -0.04 1.46 4.07 -0.06 1.47 115.31 120.77 2dzl h LEU 38 Ca 0.01 0.21 0.01 0.00 0.08 0.00 0.00 57.88 58.19 2dzl h LEU 38 Cb 0.07 0.62 -0.02 0.00 1.08 0.00 0.00 40.66 42.40 2dzl h LEU 38 CO -0.08 -0.16 -0.20 -0.07 -1.08 0.00 0.00 178.44 176.85 2dzl h LEU 39 N -0.03 -0.63 -0.39 1.67 3.38 0.27 1.04 115.31 120.62 2dzl h LEU 39 Ca 0.10 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.18 2dzl h LEU 39 Cb 0.28 0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 2dzl h LEU 39 CO -0.59 -0.18 -0.34 -0.61 0.09 0.00 0.00 178.44 176.81 2dzl h GLN 40 N -0.22 -0.13 -0.24 1.13 4.15 0.31 2.12 115.11 122.23 2dzl h GLN 40 Ca 0.01 0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.51 2dzl h GLN 40 Cb 0.25 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 2dzl h GLN 40 CO -0.15 -0.09 0.41 0.00 -1.93 0.00 0.00 178.83 177.07 2dzl h ALA 41 N -0.37 1.80 -0.85 3.38 0.00 0.23 1.47 119.26 124.92 2dzl h ALA 41 Ca 0.06 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.60 2dzl h ALA 41 Cb 0.30 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 17.89 2dzl h ALA 41 CO -0.44 -0.53 0.46 0.00 0.00 0.00 0.00 179.25 178.74 2dzl n ALA 42 N -2.15 5.03 -1.48 0.00 0.00 0.54 -4.85 120.51 117.60 2dzl n ALA 42 Ca 0.03 -2.52 -0.13 0.00 0.00 0.00 0.00 53.44 50.83 2dzl n ALA 42 Cb 0.53 -1.35 -0.05 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.62 -0.47 -2.44 0.00 -0.00 0.50 0.19 115.22 112.38 2dzl n HIS 43 Ca 0.49 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 58.10 2dzl n HIS 43 Cb 1.50 -2.59 0.01 0.00 -0.00 0.00 0.00 29.99 28.91 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 -2.02 -0.79 -2.79 4.41 7.02 0.59 -4.91 117.44 118.94 2dzl n TRP 44 Ca -0.13 0.14 -0.43 0.00 -1.02 0.00 0.00 57.50 56.05 2dzl n TRP 44 Cb 0.45 -2.72 0.00 0.00 -2.42 0.00 0.00 31.31 26.62 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 -2.28 3.67 -0.28 -0.99 6.02 0.50 -4.87 117.38 119.14 2dzl n GLN 45 Ca -0.10 -3.93 -0.07 0.00 -0.01 0.00 0.00 57.00 52.89 2dzl n GLN 45 Cb 0.58 -2.84 -0.07 0.00 1.02 0.00 0.00 30.24 28.93 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 3.88 -0.30 -0.12 1.08 -0.00 -1.26 0.19 117.46 120.92 2dzl n PHE 46 Ca 0.34 0.85 -0.04 0.00 -0.00 0.00 0.00 57.45 58.60 2dzl n PHE 46 Cb 0.38 -0.54 -0.04 0.00 -0.00 0.00 0.00 39.48 39.28 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 -0.04 0.72 -4.13 5.08 -1.97 1.45 114.58 115.69 2dzl h GLU 47 Ca 0.11 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2dzl h GLU 47 Cb 0.28 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2dzl h GLU 47 CO -0.64 -0.03 -0.41 1.15 -1.00 0.00 0.00 179.01 178.08 2dzl h THR 48 N -0.05 0.17 -0.91 1.13 2.02 -1.25 0.51 112.91 114.52 2dzl h THR 48 Ca 0.05 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.37 2dzl h THR 48 Cb 0.17 0.17 -0.15 0.00 -1.74 0.00 0.00 68.15 66.59 2dzl h THR 48 CO -0.30 0.00 -0.38 0.00 0.37 0.00 0.00 175.52 175.21 2dzl h ALA 49 N -0.84 0.10 0.25 6.16 0.00 0.26 1.51 119.26 126.70 2dzl h ALA 49 Ca -0.09 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2dzl h ALA 49 Cb 0.84 0.97 0.00 0.00 0.00 0.00 0.00 17.79 19.61 2dzl h ALA 49 CO 0.12 -0.64 -0.12 1.25 0.00 0.00 0.00 179.25 179.85 2dzl h LEU 50 N -0.04 -0.28 -0.71 0.00 5.85 0.22 0.33 115.31 120.69 2dzl h LEU 50 Ca 0.32 -0.04 0.15 0.00 0.84 0.00 0.00 57.88 59.15 2dzl h LEU 50 Cb 0.59 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.58 2dzl h LEU 50 CO -0.93 -0.14 0.15 0.28 -0.34 0.00 0.00 178.44 177.47 2dzl h SER 51 N -0.40 -0.02 0.22 1.25 0.02 0.37 0.16 113.55 115.15 2dzl h SER 51 Ca -0.03 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2dzl h SER 51 Cb 0.31 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2dzl h SER 51 CO 0.06 -0.04 -0.10 0.74 -1.14 0.00 0.00 176.83 176.34 2dzl h THR 52 N 0.25 0.00 -0.90 -2.27 2.02 0.23 0.15 112.91 112.39 2dzl h THR 52 Ca 0.39 -0.10 0.24 0.00 0.77 0.00 0.00 66.41 67.71 2dzl h THR 52 Cb 0.66 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.90 2dzl h THR 52 CO -0.50 0.00 -0.02 0.33 0.37 0.00 0.00 175.52 175.70 2dzl n PHE 53 N -3.05 0.53 -0.16 3.16 -0.00 0.11 0.19 117.46 118.24 2dzl n PHE 53 Ca -0.04 1.08 -0.11 0.00 -0.00 0.00 0.00 57.45 58.39 2dzl n PHE 53 Cb 0.12 -1.15 -0.00 0.00 -0.00 0.00 0.00 39.48 38.44 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 1.00 0.00 -5.13 -1.00 -0.69 -2.50 116.94 108.61 2dzl h PHE 54 Ca 0.53 -0.21 0.00 0.00 2.81 0.00 0.00 57.97 61.09 2dzl h PHE 54 Cb 1.05 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 40.36 2dzl h PHE 54 CO -0.49 0.98 0.00 0.37 -1.61 0.00 0.00 178.31 177.55 2dzl h GLN 55 N 0.73 0.00 -3.11 1.51 4.15 0.41 -3.33 115.11 115.47 2dzl h GLN 55 Ca 0.12 0.00 -0.74 0.00 0.77 0.00 0.00 58.65 58.80 2dzl h GLN 55 Cb 0.65 0.00 -0.33 0.00 0.21 0.00 0.00 27.48 28.02 2dzl h GLN 55 CO 0.04 0.00 0.22 0.39 -1.93 0.00 0.00 178.83 177.55 2dzl n GLU 56 N -2.84 3.35 -3.65 1.69 -0.58 0.49 -4.96 120.64 114.15 2dzl n GLU 56 Ca 0.02 -4.52 -0.05 0.00 -0.42 0.00 0.00 57.16 52.19 2dzl n GLU 56 Cb 0.34 -2.45 -0.07 0.00 -0.57 0.00 0.00 31.44 28.69 2dzl n GLU 56 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 2dzl s THR 57 N -1.91 0.00 -0.97 2.62 -1.32 -1.25 -4.81 115.64 108.00 2dzl s THR 57 Ca 0.31 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.58 2dzl s THR 57 Cb -0.01 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.07 2dzl s THR 57 CO -0.04 0.00 1.27 0.20 -2.21 0.00 0.00 174.62 173.84 2dzl s ASN 58 N 0.07 6.57 0.32 8.08 0.01 -1.26 -5.00 114.94 123.73 2dzl s ASN 58 Ca 0.06 -1.77 -0.04 0.00 -0.71 0.00 0.00 52.86 50.40 2dzl s ASN 58 Cb -0.05 -2.47 -0.05 0.00 0.41 0.00 0.00 41.25 39.09 2dzl s ASN 58 CO -0.13 -1.26 0.58 0.27 -1.51 0.00 0.00 177.10 175.05 2dzl s ILE 59 N 3.70 5.02 -0.50 0.60 -4.36 -1.26 -5.02 121.20 119.38 2dzl s ILE 59 Ca 0.38 -0.01 -0.28 0.00 -0.26 0.00 0.00 60.65 60.48 2dzl s ILE 59 Cb -0.03 -3.77 0.01 0.00 1.25 0.00 0.00 42.46 39.92 2dzl s ILE 59 CO -0.09 -0.43 1.46 -2.16 0.24 0.00 0.00 174.94 173.96 2dzl s PRO 60 N -3.82 3.36 0.78 0.37 0.04 -1.26 -4.99 135.00 129.47 2dzl s PRO 60 Ca 0.44 0.69 -0.11 0.00 0.04 0.00 0.00 61.00 62.05 2dzl s PRO 60 Cb -0.10 -4.11 0.06 0.00 0.04 0.00 0.00 34.50 30.39 2dzl s PRO 60 CO 0.33 -1.85 1.10 0.54 0.04 0.00 0.00 177.00 177.16 2dzl s ASN 61 N 4.57 4.35 -0.30 6.66 2.20 -1.26 -5.05 114.94 126.12 2dzl s ASN 61 Ca 0.58 1.90 -0.16 0.00 -0.94 0.00 0.00 52.86 54.24 2dzl s ASN 61 Cb -0.12 -2.53 0.17 0.00 -2.00 0.00 0.00 41.25 36.77 2dzl s ASN 61 CO 0.28 -2.14 1.15 -0.55 -2.94 0.00 0.00 177.10 172.90 2dzl s SER 62 N -3.18 -0.25 -0.55 3.54 0.15 -1.26 -5.11 113.70 107.03 2dzl s SER 62 Ca 0.63 0.17 -0.16 0.00 0.70 0.00 0.00 55.95 57.28 2dzl s SER 62 Cb -0.18 1.21 0.13 0.00 -1.71 0.00 0.00 66.02 65.47 2dzl s SER 62 CO 0.54 -0.05 0.53 -2.28 1.20 0.00 0.00 173.24 173.19 2dzl s HIS 63 N 2.90 3.23 -0.22 3.44 2.46 -1.26 -4.98 115.29 120.87 2dzl s HIS 63 Ca -0.06 -1.27 -0.30 0.00 0.47 0.00 0.00 55.06 53.91 2dzl s HIS 63 Cb -0.09 -3.83 0.16 0.00 -0.13 0.00 0.00 32.58 28.69 2dzl s HIS 63 CO -0.09 -1.05 1.16 -1.01 -2.47 0.00 0.00 174.74 171.28 2dzl s HIS 64 N 1.69 -0.22 -0.50 3.88 3.76 -1.26 -5.12 115.29 117.53 2dzl s HIS 64 Ca 0.04 0.38 -0.01 0.00 -0.15 0.00 0.00 55.06 55.32 2dzl s HIS 64 Cb -0.29 0.47 0.13 0.00 1.11 0.00 0.00 32.58 34.00 2dzl s HIS 64 CO 0.03 -0.20 0.29 -3.38 -0.85 0.00 0.00 174.74 170.62 2dzl s HIS 65 N -1.06 3.49 -1.89 1.40 -3.43 -1.26 -5.31 115.29 107.24 2dzl s HIS 65 Ca 0.03 -2.69 0.00 0.00 -0.80 0.00 0.00 55.06 51.60 2dzl s HIS 65 Cb -0.01 -3.13 0.00 0.00 -1.43 0.00 0.00 32.58 28.01 2dzl s HIS 65 CO -0.03 -0.89 0.47 0.72 -2.00 0.00 0.00 174.74 173.01