#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f54 s SER 2 N 0.00 6.38 0.00 6.43 0.15 -1.26 -5.08 113.70 120.33 1f54 s SER 2 Ca 0.00 0.33 -0.01 0.00 0.70 0.00 0.00 55.95 56.97 1f54 s SER 2 Cb 0.00 -1.98 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 1f54 s SER 2 CO 0.00 0.09 0.05 -0.46 1.20 0.00 0.00 173.24 174.12 1f54 n ASN 3 N -0.10 -0.07 -4.95 5.45 0.23 -1.26 -5.03 115.26 109.54 1f54 n ASN 3 Ca -0.05 -1.03 -0.24 0.00 -0.53 0.00 0.00 54.58 52.74 1f54 n ASN 3 Cb 0.52 0.10 0.05 0.00 -2.08 0.00 0.00 39.78 38.38 1f54 n ASN 3 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1f54 s LEU 4 N 0.00 3.09 0.00 -4.53 2.96 -1.26 -5.02 118.68 113.92 1f54 s LEU 4 Ca 0.01 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 1f54 s LEU 4 Cb -0.00 -3.06 0.00 0.00 0.50 0.00 0.00 46.19 43.63 1f54 s LEU 4 CO 0.00 -1.31 0.00 0.41 -1.32 0.00 0.00 176.35 174.13 1f54 n THR 5 N -2.60 0.00 0.00 3.68 -1.04 -1.26 -5.02 114.28 108.04 1f54 n THR 5 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1f54 n THR 5 Cb 0.60 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 1f54 n THR 5 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1f54 n GLU 6 N 0.00 0.00 -0.32 -2.82 1.02 -1.26 -1.96 120.64 115.30 1f54 n GLU 6 Ca 0.00 0.43 0.19 0.00 -0.02 0.00 0.00 57.16 57.76 1f54 n GLU 6 Cb 0.00 -1.38 0.39 0.00 -0.02 0.00 0.00 31.44 30.43 1f54 n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1f54 h GLU 7 N 0.00 0.19 0.32 3.49 3.07 -1.99 -0.34 114.58 119.32 1f54 h GLU 7 Ca 0.00 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1f54 h GLU 7 Cb 0.00 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.83 1f54 h GLU 7 CO 0.00 0.13 -0.51 0.37 -1.40 0.00 0.00 179.01 177.60 1f54 h GLN 8 N 0.20 -0.84 -0.87 2.33 5.75 -1.93 -1.06 115.11 118.68 1f54 h GLN 8 Ca 0.66 0.06 0.18 0.00 -0.15 0.00 0.00 58.65 59.40 1f54 h GLN 8 Cb 1.47 0.19 -0.07 0.00 1.07 0.00 0.00 27.48 30.15 1f54 h GLN 8 CO -0.68 -0.56 0.57 0.82 -2.65 0.00 0.00 178.83 176.32 1f54 h ILE 9 N -0.88 0.74 0.84 2.39 2.04 -0.42 -2.27 117.51 119.95 1f54 h ILE 9 Ca -0.04 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1f54 h ILE 9 Cb 0.81 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1f54 h ILE 9 CO -0.16 0.09 -0.47 0.00 0.00 0.00 0.00 178.15 177.60 1f54 h ALA 10 N 1.62 -1.30 -0.81 1.87 0.00 -0.46 -1.51 119.26 118.66 1f54 h ALA 10 Ca 0.45 -0.26 0.20 0.00 0.00 0.00 0.00 54.91 55.30 1f54 h ALA 10 Cb 0.99 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 1f54 h ALA 10 CO -0.18 -1.23 0.56 0.93 0.00 0.00 0.00 179.25 179.33 1f54 h GLU 11 N -1.21 0.21 -0.40 0.00 4.39 -0.83 0.04 114.58 116.78 1f54 h GLU 11 Ca -0.11 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.52 1f54 h GLU 11 Cb 0.96 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 1f54 h GLU 11 CO 0.14 0.14 0.02 0.74 -1.16 0.00 0.00 179.01 178.90 1f54 h PHE 12 N 0.22 0.75 0.76 4.33 -1.00 -0.88 -2.47 116.94 118.66 1f54 h PHE 12 Ca 0.40 -0.12 -0.04 0.00 2.81 0.00 0.00 57.97 61.03 1f54 h PHE 12 Cb 1.26 -0.20 0.01 0.00 3.61 0.00 0.00 35.95 40.62 1f54 h PHE 12 CO -0.00 0.75 -0.37 -0.22 -1.61 0.00 0.00 178.31 176.87 1f54 h LYS 13 N 0.53 -0.99 -1.03 1.51 3.64 0.01 -0.59 116.57 119.65 1f54 h LYS 13 Ca 0.12 0.07 0.26 0.00 -1.27 0.00 0.00 60.65 59.83 1f54 h LYS 13 Cb 0.44 0.22 -0.09 0.00 -0.41 0.00 0.00 32.23 32.39 1f54 h LYS 13 CO 0.02 -0.65 0.67 0.93 -2.27 0.00 0.00 179.45 178.14 1f54 h GLU 14 N -1.05 0.38 0.00 1.90 4.39 -1.49 0.13 114.58 118.83 1f54 h GLU 14 Ca -0.10 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1f54 h GLU 14 Cb 0.79 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1f54 h GLU 14 CO 0.17 0.25 0.00 0.00 -1.16 0.00 0.00 179.01 178.27 1f54 n ALA 15 N -2.48 -0.22 -0.32 3.43 0.00 -0.92 -0.60 120.51 119.40 1f54 n ALA 15 Ca 0.25 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.76 1f54 n ALA 15 Cb 0.87 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.50 1f54 n ALA 15 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1f54 h PHE 16 N 0.00 -0.28 0.00 0.00 3.57 -0.86 1.24 116.94 120.61 1f54 h PHE 16 Ca 0.00 0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1f54 h PHE 16 Cb 0.00 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1f54 h PHE 16 CO 0.10 -0.38 -0.33 0.00 -2.23 0.00 0.00 178.31 175.47 1f54 h ALA 17 N 1.90 1.16 0.00 2.41 0.00 -1.06 -2.66 119.26 121.01 1f54 h ALA 17 Ca 0.48 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1f54 h ALA 17 Cb 0.85 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1f54 h ALA 17 CO -0.89 0.42 0.12 1.25 0.00 0.00 0.00 179.25 180.15 1f54 h LEU 18 N 0.00 0.00 -2.43 0.00 6.46 0.40 -0.75 115.31 118.99 1f54 h LEU 18 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1f54 h LEU 18 Cb 0.73 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.66 1f54 h LEU 18 CO 0.04 0.00 -0.05 0.49 -0.62 0.00 0.00 178.44 178.31 1f54 n PHE 19 N -2.50 0.00 -2.22 1.25 3.01 -1.02 -4.93 117.46 111.05 1f54 n PHE 19 Ca -0.02 -0.43 -0.39 0.00 1.01 0.00 0.00 57.45 57.62 1f54 n PHE 19 Cb 0.16 -0.06 -0.02 0.00 -0.01 0.00 0.00 39.48 39.56 1f54 n PHE 19 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1f54 n ASP 20 N -0.51 4.13 -0.27 4.37 5.75 -0.29 -4.75 116.55 124.97 1f54 n ASP 20 Ca 0.03 -2.83 -0.02 0.00 -0.01 0.00 0.00 54.79 51.96 1f54 n ASP 20 Cb 0.43 -1.69 0.10 0.00 -1.03 0.00 0.00 41.12 38.93 1f54 n ASP 20 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1f54 h LYS 21 N 7.92 0.88 -0.06 0.11 3.11 -1.86 -0.17 116.57 126.50 1f54 h LYS 21 Ca 0.41 -0.05 0.02 0.00 -2.81 0.00 0.00 60.65 58.21 1f54 h LYS 21 Cb 0.84 -0.20 -0.00 0.00 -1.00 0.00 0.00 32.23 31.87 1f54 h LYS 21 CO 1.50 0.58 0.37 -0.44 -2.81 0.00 0.00 179.45 178.65 1f54 h ASP 22 N 0.90 0.00 -2.29 4.20 3.32 -1.86 -3.44 116.42 117.26 1f54 h ASP 22 Ca 0.32 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.99 1f54 h ASP 22 Cb 0.07 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 1f54 h ASP 22 CO -0.13 0.00 -0.46 -3.20 -1.72 0.00 0.00 179.24 173.73 1f54 n ASN 23 N -2.98 -5.42 0.00 6.45 4.05 -0.08 -4.82 115.26 112.46 1f54 n ASN 23 Ca -0.01 0.09 0.00 0.00 0.45 0.00 0.00 54.58 55.12 1f54 n ASN 23 Cb 0.44 -4.50 0.00 0.00 1.23 0.00 0.00 39.78 36.95 1f54 n ASN 23 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1f54 n ASN 24 N -1.49 0.58 0.00 1.20 0.23 -1.26 -5.00 115.26 109.52 1f54 n ASN 24 Ca -0.22 -0.35 0.00 0.00 -0.53 0.00 0.00 54.58 53.48 1f54 n ASN 24 Cb 0.66 0.82 0.00 0.00 -2.08 0.00 0.00 39.78 39.18 1f54 n ASN 24 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1f54 n GLY 25 N 1.00 1.71 2.96 4.83 0.00 -1.26 -5.07 105.19 109.35 1f54 n GLY 25 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1f54 n GLY 25 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f54 s SER 26 N -2.00 0.55 0.13 1.61 1.04 -1.26 -2.44 113.70 111.33 1f54 s SER 26 Ca 0.00 -0.14 0.06 0.00 0.48 0.00 0.00 55.95 56.34 1f54 s SER 26 Cb 0.00 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 1f54 s SER 26 CO 0.00 0.01 -0.14 0.27 0.98 0.00 0.00 173.24 174.37 1f54 s ILE 27 N -0.29 1.35 0.52 -1.02 -4.36 -0.20 -4.38 121.20 112.82 1f54 s ILE 27 Ca -0.00 -1.79 -0.18 0.00 -0.26 0.00 0.00 60.65 58.42 1f54 s ILE 27 Cb -0.03 -1.60 -0.07 0.00 1.25 0.00 0.00 42.46 42.01 1f54 s ILE 27 CO -0.00 -0.46 1.02 -0.55 0.24 0.00 0.00 174.94 175.19 1f54 s SER 28 N -2.59 6.30 0.25 4.36 0.15 -1.26 0.87 113.70 121.79 1f54 s SER 28 Ca 0.11 1.77 -0.07 0.00 0.70 0.00 0.00 55.95 58.45 1f54 s SER 28 Cb -0.04 -2.53 0.44 0.00 -1.71 0.00 0.00 66.02 62.18 1f54 s SER 28 CO 0.03 -0.81 1.62 -1.28 1.20 0.00 0.00 173.24 174.00 1f54 h SER 29 N 1.06 -0.48 -0.79 5.45 0.87 -1.82 0.96 113.55 118.80 1f54 h SER 29 Ca -0.48 0.22 0.21 0.00 -1.23 0.00 0.00 61.79 60.51 1f54 h SER 29 Cb 1.21 0.40 -0.04 0.00 -0.44 0.00 0.00 62.40 63.53 1f54 h SER 29 CO 0.59 -0.22 0.55 -1.28 -0.53 0.00 0.00 176.83 175.94 1f54 h SER 30 N 0.06 0.13 0.30 6.23 0.87 -1.91 0.58 113.55 119.82 1f54 h SER 30 Ca 0.42 0.01 -0.25 0.00 -1.23 0.00 0.00 61.79 60.75 1f54 h SER 30 Cb 0.74 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.70 1f54 h SER 30 CO -0.74 0.06 -1.04 -0.33 -0.53 0.00 0.00 176.83 174.25 1f54 h GLU 31 N 0.13 0.46 -0.91 2.24 5.08 0.60 -3.25 114.58 118.93 1f54 h GLU 31 Ca 0.39 -0.54 0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1f54 h GLU 31 Cb 1.32 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 30.66 1f54 h GLU 31 CO -0.06 1.19 0.55 1.25 -1.00 0.00 0.00 179.01 180.95 1f54 h LEU 32 N 0.24 0.82 -0.89 1.33 5.85 -0.22 -0.71 115.31 121.73 1f54 h LEU 32 Ca -0.11 0.04 0.13 0.00 0.84 0.00 0.00 57.88 58.78 1f54 h LEU 32 Cb 1.69 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 42.51 1f54 h LEU 32 CO 0.18 0.47 0.50 0.00 -0.34 0.00 0.00 178.44 179.26 1f54 h ALA 33 N 1.48 1.34 0.29 1.25 0.00 -1.54 0.75 119.26 122.82 1f54 h ALA 33 Ca 0.43 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 1f54 h ALA 33 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1f54 h ALA 33 CO -0.24 0.03 -0.14 1.15 0.00 0.00 0.00 179.25 180.06 1f54 h THR 34 N 0.76 0.00 -1.37 0.00 2.02 -1.26 -2.71 112.91 110.35 1f54 h THR 34 Ca 0.46 -0.11 0.41 0.00 0.77 0.00 0.00 66.41 67.94 1f54 h THR 34 Cb 0.56 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.87 1f54 h THR 34 CO -0.31 0.00 0.93 -0.37 0.37 0.00 0.00 175.52 176.14 1f54 h VAL 35 N -0.50 0.23 0.82 3.16 -1.51 -1.26 0.18 116.25 117.37 1f54 h VAL 35 Ca -0.04 -0.04 -0.04 0.00 -1.23 0.00 0.00 66.70 65.36 1f54 h VAL 35 Cb 0.30 0.11 0.00 0.00 -2.13 0.00 0.00 31.29 29.58 1f54 h VAL 35 CO 0.07 0.02 -0.44 -0.03 -1.23 0.00 0.00 177.57 175.95 1f54 h MET 36 N 0.11 -1.12 0.00 5.19 4.05 -0.63 -2.33 114.93 120.19 1f54 h MET 36 Ca 0.75 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 60.25 1f54 h MET 36 Cb 2.55 0.25 0.00 0.00 -0.80 0.00 0.00 31.60 33.61 1f54 h MET 36 CO -0.24 -0.75 0.00 0.00 0.23 0.00 0.00 176.91 176.16 1f54 h ARG 37 N -1.16 0.00 -0.14 0.39 3.08 -0.74 -2.94 114.38 112.87 1f54 h ARG 37 Ca -0.11 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.84 1f54 h ARG 37 Cb 0.91 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1f54 h ARG 37 CO 0.16 0.00 -0.36 1.03 -1.07 0.00 0.00 179.97 179.73 1f54 h SER 38 N 0.00 0.31 0.20 7.04 0.87 -0.39 -2.68 113.55 118.90 1f54 h SER 38 Ca 0.00 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.41 1f54 h SER 38 Cb 0.52 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1f54 h SER 38 CO 0.00 0.65 -0.15 -0.07 -0.53 0.00 0.00 176.83 176.74 1f54 h LEU 39 N 0.26 0.00 0.00 2.23 3.38 -1.24 -3.45 115.31 116.50 1f54 h LEU 39 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1f54 h LEU 39 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1f54 h LEU 39 CO 0.06 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.35 1f54 n GLY 40 N -0.99 0.66 3.33 0.83 0.00 -1.02 -5.10 105.19 102.91 1f54 n GLY 40 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 1f54 n GLY 40 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1f54 s LEU 41 N 0.00 1.66 -0.39 0.99 2.34 -1.20 -4.94 118.68 117.15 1f54 s LEU 41 Ca 0.00 -1.54 0.00 0.00 0.06 0.00 0.00 54.13 52.65 1f54 s LEU 41 Cb 0.00 0.18 0.19 0.00 -0.56 0.00 0.00 46.19 46.00 1f54 s LEU 41 CO 0.00 -0.87 0.85 -0.94 -1.06 0.00 0.00 176.35 174.32 1f54 s SER 42 N -3.37 -0.95 0.00 1.48 1.04 -1.26 -4.23 113.70 106.41 1f54 s SER 42 Ca 0.36 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.15 1f54 s SER 42 Cb 0.05 1.23 0.00 0.00 0.10 0.00 0.00 66.02 67.40 1f54 s SER 42 CO 0.17 -0.09 0.00 -0.81 0.98 0.00 0.00 173.24 173.49 1f54 n PRO 43 N 3.76 1.11 -4.48 4.02 -0.04 -1.26 -5.08 135.00 133.04 1f54 n PRO 43 Ca 0.10 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.32 1f54 n PRO 43 Cb 0.60 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.96 1f54 n PRO 43 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1f54 s SER 44 N -1.41 3.47 0.06 3.54 0.01 -1.26 -4.99 113.70 113.12 1f54 s SER 44 Ca 0.00 -1.10 -0.13 0.00 1.31 0.00 0.00 55.95 56.03 1f54 s SER 44 Cb 0.00 -0.29 -0.04 0.00 0.21 0.00 0.00 66.02 65.90 1f54 s SER 44 CO 0.00 -0.09 1.22 -0.33 0.41 0.00 0.00 173.24 174.45 1f54 h GLU 45 N 2.22 -0.08 -0.88 12.44 5.08 -1.99 0.21 114.58 131.58 1f54 h GLU 45 Ca -0.40 0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.17 1f54 h GLU 45 Cb 1.25 0.02 -0.16 0.00 0.50 0.00 0.00 28.75 30.36 1f54 h GLU 45 CO 0.64 -0.05 -0.03 0.00 -1.00 0.00 0.00 179.01 178.57 1f54 h ALA 46 N -0.60 0.90 -0.61 3.43 0.00 -2.00 1.07 119.26 121.45 1f54 h ALA 46 Ca 0.05 0.30 0.01 0.00 0.00 0.00 0.00 54.91 55.27 1f54 h ALA 46 Cb 0.21 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1f54 h ALA 46 CO -0.31 -0.47 0.41 1.49 0.00 0.00 0.00 179.25 180.37 1f54 h GLU 47 N 0.05 0.78 -0.27 0.00 4.22 -1.12 -2.36 114.58 115.89 1f54 h GLU 47 Ca 0.49 -0.05 -0.10 0.00 0.08 0.00 0.00 59.36 59.78 1f54 h GLU 47 Cb 0.91 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1f54 h GLU 47 CO -0.81 0.52 -0.22 0.28 -2.18 0.00 0.00 179.01 176.59 1f54 h VAL 48 N 0.81 1.31 -0.32 0.32 2.07 0.37 0.37 116.25 121.18 1f54 h VAL 48 Ca 0.23 -1.37 0.06 0.00 0.82 0.00 0.00 66.70 66.44 1f54 h VAL 48 Cb -0.06 1.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 1f54 h VAL 48 CO -0.05 0.43 -0.08 -1.13 0.02 0.00 0.00 177.57 176.76 1f54 h ASN 49 N 0.35 -0.29 0.71 0.57 -0.73 -0.57 -0.80 115.58 114.83 1f54 h ASN 49 Ca 0.05 0.09 -0.16 0.00 1.87 0.00 0.00 56.30 58.16 1f54 h ASN 49 Cb 0.78 0.19 -0.02 0.00 0.27 0.00 0.00 38.32 39.54 1f54 h ASN 49 CO 0.06 -0.10 -0.74 0.44 -0.37 0.00 0.00 177.43 176.72 1f54 h ASP 50 N 0.00 0.02 -0.03 1.15 3.32 -1.48 -2.17 116.42 117.23 1f54 h ASP 50 Ca 0.15 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1f54 h ASP 50 Cb 0.23 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1f54 h ASP 50 CO -0.32 0.75 0.02 0.25 -1.72 0.00 0.00 179.24 178.22 1f54 h LEU 51 N 0.01 0.04 -0.06 1.55 5.85 0.06 -1.80 115.31 120.97 1f54 h LEU 51 Ca -0.01 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 1f54 h LEU 51 Cb 1.31 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1f54 h LEU 51 CO 0.10 0.08 -0.24 0.24 -0.34 0.00 0.00 178.44 178.28 1f54 h MET 52 N -0.00 0.26 -0.36 1.25 2.86 -1.23 -3.07 114.93 114.65 1f54 h MET 52 Ca 0.01 -0.21 0.10 0.00 -2.06 0.00 0.00 59.70 57.55 1f54 h MET 52 Cb 0.05 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1f54 h MET 52 CO -0.00 0.85 0.43 -0.91 1.06 0.00 0.00 176.91 178.34 1f54 h ASN 53 N -0.27 0.00 0.74 1.22 -0.26 -1.36 1.65 115.58 117.30 1f54 h ASN 53 Ca -0.01 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.70 1f54 h ASN 53 Cb 0.89 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.15 1f54 h ASN 53 CO 0.05 0.00 -0.11 -0.08 -1.06 0.00 0.00 177.43 176.23 1f54 h GLU 54 N 0.00 0.00 0.00 0.81 4.22 -1.22 -3.32 114.58 115.07 1f54 h GLU 54 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.61 1f54 h GLU 54 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1f54 h GLU 54 CO -0.00 0.11 -0.80 1.51 -2.18 0.00 0.00 179.01 177.65 1f54 n ILE 55 N -3.34 0.00 -1.64 2.32 3.06 0.16 -5.03 119.36 114.88 1f54 n ILE 55 Ca -0.00 0.00 -0.49 0.00 -2.50 0.00 0.00 62.75 59.75 1f54 n ILE 55 Cb 0.32 -0.76 -0.05 0.00 0.54 0.00 0.00 39.64 39.69 1f54 n ILE 55 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1f54 n ASP 56 N -1.77 2.54 -0.03 9.51 9.92 0.52 -4.85 116.55 132.38 1f54 n ASP 56 Ca 0.00 1.08 -0.03 0.00 -0.53 0.00 0.00 54.79 55.31 1f54 n ASP 56 Cb 0.40 -1.31 -0.05 0.00 -0.64 0.00 0.00 41.12 39.52 1f54 n ASP 56 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1f54 n VAL 57 N 3.37 0.41 -1.48 2.53 0.31 -1.26 -4.78 118.33 117.43 1f54 n VAL 57 Ca 0.19 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1f54 n VAL 57 Cb 0.24 -0.84 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 1f54 n VAL 57 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1f54 n ASP 58 N -2.24 0.00 0.00 4.52 2.03 -1.26 -5.04 116.55 114.56 1f54 n ASP 58 Ca -0.10 -1.42 0.00 0.00 0.52 0.00 0.00 54.79 53.79 1f54 n ASP 58 Cb 0.69 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 1f54 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1f54 n GLY 59 N 0.00 2.05 2.78 0.27 0.00 -1.26 -4.72 105.19 104.31 1f54 n GLY 59 Ca 0.00 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 1f54 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1f54 n ASN 60 N 3.82 6.25 -4.94 1.61 0.23 -1.26 -4.63 115.26 116.35 1f54 n ASN 60 Ca 0.00 -3.57 -0.24 0.00 -0.53 0.00 0.00 54.58 50.24 1f54 n ASN 60 Cb 0.00 -1.07 0.02 0.00 -2.08 0.00 0.00 39.78 36.65 1f54 n ASN 60 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 1f54 s HIS 61 N -3.48 3.25 -0.52 -2.53 -3.43 -1.26 -4.97 115.29 102.35 1f54 s HIS 61 Ca 0.38 0.37 -0.18 0.00 -0.80 0.00 0.00 55.06 54.82 1f54 s HIS 61 Cb 0.15 -2.42 0.08 0.00 -1.43 0.00 0.00 32.58 28.96 1f54 s HIS 61 CO -0.03 -0.47 0.58 1.14 -2.00 0.00 0.00 174.74 173.96 1f54 s GLN 62 N -4.68 3.06 0.51 -0.38 0.00 -1.26 -3.63 119.66 113.28 1f54 s GLN 62 Ca 0.50 -1.17 -0.21 0.00 -0.00 0.00 0.00 55.36 54.47 1f54 s GLN 62 Cb -0.10 -4.17 -0.07 0.00 0.00 0.00 0.00 33.01 28.68 1f54 s GLN 62 CO 0.40 -1.27 1.13 0.42 0.00 0.00 0.00 175.29 175.97 1f54 s ILE 63 N 2.33 3.22 -0.18 3.63 1.01 0.25 -4.77 121.20 126.70 1f54 s ILE 63 Ca 0.11 0.82 -0.03 0.00 0.00 0.00 0.00 60.65 61.55 1f54 s ILE 63 Cb -0.23 -3.36 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 1f54 s ILE 63 CO 0.08 -0.11 -0.07 -1.61 0.00 0.00 0.00 174.94 173.23 1f54 s GLU 64 N -3.07 3.44 0.52 2.79 0.41 -1.26 -1.03 118.70 120.49 1f54 s GLU 64 Ca 0.69 -0.62 0.41 0.00 -0.41 0.00 0.00 54.97 55.04 1f54 s GLU 64 Cb -0.25 -2.86 1.60 0.00 -1.78 0.00 0.00 34.13 30.84 1f54 s GLU 64 CO 0.29 0.03 1.65 0.35 -0.49 0.00 0.00 175.26 177.08 1f54 h PHE 65 N 7.35 0.16 0.26 1.61 3.57 -1.88 0.16 116.94 128.17 1f54 h PHE 65 Ca -0.34 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.15 1f54 h PHE 65 Cb 1.18 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.89 1f54 h PHE 65 CO 0.55 -0.05 -0.12 0.77 -2.23 0.00 0.00 178.31 177.22 1f54 h SER 66 N 0.03 -0.29 -0.87 0.41 0.02 -1.93 -2.77 113.55 108.16 1f54 h SER 66 Ca 0.81 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.82 1f54 h SER 66 Cb 3.05 0.08 -0.05 0.00 0.14 0.00 0.00 62.40 65.62 1f54 h SER 66 CO -0.13 -0.16 0.57 1.05 -1.14 0.00 0.00 176.83 177.02 1f54 h GLU 67 N -0.44 1.00 -0.15 3.45 4.11 -1.62 0.30 114.58 121.24 1f54 h GLU 67 Ca -0.04 -0.06 0.03 0.00 0.07 0.00 0.00 59.36 59.36 1f54 h GLU 67 Cb 0.26 -0.23 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 1f54 h GLU 67 CO 0.06 0.66 -0.53 0.35 0.07 0.00 0.00 179.01 179.62 1f54 h PHE 68 N 1.03 -1.58 -0.01 2.06 3.57 -0.75 -1.16 116.94 120.10 1f54 h PHE 68 Ca 0.36 0.06 -0.23 0.00 3.53 0.00 0.00 57.97 61.69 1f54 h PHE 68 Cb 0.11 0.71 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1f54 h PHE 68 CO -0.00 -0.53 -0.93 -0.07 -2.23 0.00 0.00 178.31 174.55 1f54 h LEU 69 N -0.56 0.58 -1.89 0.59 4.07 -1.24 -1.31 115.31 115.55 1f54 h LEU 69 Ca 0.03 -0.46 0.19 0.00 0.08 0.00 0.00 57.88 57.72 1f54 h LEU 69 Cb 0.66 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 42.19 1f54 h LEU 69 CO -0.43 1.25 0.60 0.00 -1.08 0.00 0.00 178.44 178.78 1f54 h ALA 70 N 0.71 2.47 0.00 1.53 0.00 0.08 -1.55 119.26 122.50 1f54 h ALA 70 Ca -0.08 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.50 1f54 h ALA 70 Cb 1.57 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.35 1f54 h ALA 70 CO 0.16 -0.94 -2.15 1.28 0.00 0.00 0.00 179.25 177.60 1f54 n LEU 71 N -3.85 1.62 0.09 0.00 4.32 -0.48 -4.31 117.00 114.39 1f54 n LEU 71 Ca 0.13 -0.06 0.07 0.00 -0.02 0.00 0.00 56.01 56.13 1f54 n LEU 71 Cb 0.85 -0.21 0.34 0.00 -1.62 0.00 0.00 43.42 42.77 1f54 n LEU 71 CO 0.31 0.65 0.70 0.23 -1.22 0.00 0.00 177.39 178.06 1f54 n MET 72 N -2.88 0.08 -0.27 3.23 2.81 -0.50 -2.84 117.12 116.75 1f54 n MET 72 Ca -0.32 0.54 0.32 0.00 -1.81 0.00 0.00 57.70 56.43 1f54 n MET 72 Cb 0.95 -1.75 0.57 0.00 -0.71 0.00 0.00 33.22 32.29 1f54 n MET 72 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1f54 h SER 73 N 0.00 0.00 -2.24 7.83 0.02 -1.51 -3.42 113.55 114.23 1f54 h SER 73 Ca 0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.37 1f54 h SER 73 Cb 0.05 0.00 0.20 0.00 0.14 0.00 0.00 62.40 62.79 1f54 h SER 73 CO 0.00 0.00 -1.21 -1.14 -1.14 0.00 0.00 176.83 173.34 1f54 n ARG 74 N -3.50 0.06 -1.52 3.45 0.63 -1.13 -4.53 116.66 110.12 1f54 n ARG 74 Ca 0.25 0.03 -0.61 0.00 -0.92 0.00 0.00 57.85 56.60 1f54 n ARG 74 Cb 1.47 -1.17 -0.10 0.00 0.45 0.00 0.00 32.46 33.12 1f54 n ARG 74 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1f54 n GLN 75 N 1.35 0.32 -4.28 -0.14 7.27 -1.26 -4.91 117.38 115.73 1f54 n GLN 75 Ca 0.06 0.11 -0.30 0.00 0.07 0.00 0.00 57.00 56.93 1f54 n GLN 75 Cb 0.50 -1.72 -0.10 0.00 2.41 0.00 0.00 30.24 31.33 1f54 n GLN 75 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1f54 s LEU 76 N 4.71 2.97 0.00 1.69 0.20 -1.26 -5.19 118.68 121.80 1f54 s LEU 76 Ca 1.10 -0.40 0.00 0.00 0.69 0.00 0.00 54.13 55.52 1f54 s LEU 76 Cb -1.35 -1.77 0.00 0.00 -0.43 0.00 0.00 46.19 42.64 1f54 s LEU 76 CO 0.70 0.19 0.00 1.17 -0.29 0.00 0.00 176.35 178.11