#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f54 n SER 2 N 0.00 3.05 -0.72 4.04 7.64 -1.26 -5.04 113.62 121.33 1f54 n SER 2 Ca 0.00 -3.25 0.00 0.00 1.01 0.00 0.00 58.87 56.63 1f54 n SER 2 Cb 0.00 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.49 1f54 n SER 2 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1f54 n ASN 3 N 1.50 0.00 -1.43 6.43 2.85 -1.26 -5.16 115.26 118.19 1f54 n ASN 3 Ca 0.25 -0.72 0.18 0.00 -0.11 0.00 0.00 54.58 54.18 1f54 n ASN 3 Cb 0.39 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.34 1f54 n ASN 3 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1f54 n LEU 4 N 0.00 -0.87 0.00 1.20 7.94 -1.26 -5.06 117.00 118.95 1f54 n LEU 4 Ca 0.00 2.00 0.00 0.00 -1.11 0.00 0.00 56.01 56.90 1f54 n LEU 4 Cb 0.00 -4.58 0.00 0.00 0.53 0.00 0.00 43.42 39.37 1f54 n LEU 4 CO 0.00 -2.96 0.00 0.41 -1.11 0.00 0.00 177.39 173.73 1f54 n THR 5 N -4.30 0.00 0.00 1.96 -1.04 -1.26 -5.01 114.28 104.63 1f54 n THR 5 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 1f54 n THR 5 Cb 0.67 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 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 -0.31 -2.82 -0.58 -1.26 -2.29 120.64 113.38 1f54 n GLU 6 Ca 0.00 0.43 0.15 0.00 -0.42 0.00 0.00 57.16 57.32 1f54 n GLU 6 Cb 0.00 -1.31 0.32 0.00 -0.57 0.00 0.00 31.44 29.88 1f54 n GLU 6 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1f54 h GLU 7 N 0.00 0.10 0.04 3.49 4.39 -2.00 -0.03 114.58 120.58 1f54 h GLU 7 Ca 0.00 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.71 1f54 h GLU 7 Cb 0.00 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.58 1f54 h GLU 7 CO 0.00 0.07 -0.52 0.37 -1.16 0.00 0.00 179.01 177.77 1f54 h GLN 8 N 0.11 -0.66 -0.97 2.33 4.15 -1.95 -0.05 115.11 118.07 1f54 h GLN 8 Ca 0.60 0.04 0.20 0.00 0.77 0.00 0.00 58.65 60.27 1f54 h GLN 8 Cb 1.27 0.15 -0.09 0.00 0.21 0.00 0.00 27.48 29.02 1f54 h GLN 8 CO -0.77 -0.44 0.62 0.82 -1.93 0.00 0.00 178.83 177.13 1f54 h ILE 9 N -0.68 0.67 0.24 2.39 2.04 -0.59 -2.24 117.51 119.34 1f54 h ILE 9 Ca 0.00 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 1f54 h ILE 9 Cb 0.71 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1f54 h ILE 9 CO -0.32 0.11 -0.35 0.00 0.00 0.00 0.00 178.15 177.59 1f54 h ALA 10 N 1.63 -0.96 -0.95 1.87 0.00 -0.40 0.49 119.26 120.94 1f54 h ALA 10 Ca 0.54 -0.11 0.24 0.00 0.00 0.00 0.00 54.91 55.58 1f54 h ALA 10 Cb 1.08 0.65 -0.06 0.00 0.00 0.00 0.00 17.79 19.46 1f54 h ALA 10 CO -0.29 -1.01 0.64 0.93 0.00 0.00 0.00 179.25 179.52 1f54 h GLU 11 N -0.61 0.27 -0.30 0.00 5.08 -0.98 0.40 114.58 118.45 1f54 h GLU 11 Ca -0.03 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1f54 h GLU 11 Cb 0.56 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1f54 h GLU 11 CO -0.10 0.18 -0.04 0.74 -1.00 0.00 0.00 179.01 178.78 1f54 h PHE 12 N 0.28 0.61 0.21 4.33 -1.00 -0.80 -2.68 116.94 117.89 1f54 h PHE 12 Ca 0.49 -0.12 0.01 0.00 2.81 0.00 0.00 57.97 61.16 1f54 h PHE 12 Cb 1.44 -0.15 -0.03 0.00 3.61 0.00 0.00 35.95 40.82 1f54 h PHE 12 CO -0.00 0.72 -0.28 -0.22 -1.61 0.00 0.00 178.31 176.92 1f54 h LYS 13 N 0.33 -0.53 -0.78 1.51 3.64 0.12 0.40 116.57 121.25 1f54 h LYS 13 Ca 0.08 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.65 1f54 h LYS 13 Cb 0.51 0.12 -0.10 0.00 -0.41 0.00 0.00 32.23 32.35 1f54 h LYS 13 CO 0.02 -0.35 0.32 0.93 -2.27 0.00 0.00 179.45 178.10 1f54 h GLU 14 N -0.55 0.43 0.00 1.90 5.08 -1.48 0.84 114.58 120.80 1f54 h GLU 14 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1f54 h GLU 14 Cb 0.54 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1f54 h GLU 14 CO -0.10 0.28 0.00 0.00 -1.00 0.00 0.00 179.01 178.19 1f54 n ALA 15 N -2.52 -0.37 -0.33 3.43 0.00 -0.80 -0.14 120.51 119.78 1f54 n ALA 15 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1f54 n ALA 15 Cb 0.46 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.85 0.00 0.00 3.57 -0.80 1.10 116.94 119.96 1f54 h PHE 16 Ca 0.00 0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 1f54 h PHE 16 Cb 0.00 0.51 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 1f54 h PHE 16 CO 0.17 -0.40 -0.24 0.00 -2.23 0.00 0.00 178.31 175.61 1f54 h ALA 17 N 1.51 1.53 -0.77 2.41 0.00 -0.88 -2.47 119.26 120.59 1f54 h ALA 17 Ca 0.36 -0.22 0.22 0.00 0.00 0.00 0.00 54.91 55.27 1f54 h ALA 17 Cb 0.62 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1f54 h ALA 17 CO -0.92 0.30 0.55 1.25 0.00 0.00 0.00 179.25 180.43 1f54 h LEU 18 N 0.00 0.03 -2.22 0.00 6.46 0.47 0.10 115.31 120.15 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 0.44 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 1f54 h LEU 18 CO 0.03 0.01 0.00 0.49 -0.62 0.00 0.00 178.44 178.35 1f54 n PHE 19 N -4.32 0.23 -2.43 1.25 3.01 -0.96 -4.88 117.46 109.37 1f54 n PHE 19 Ca 0.16 -0.28 -0.38 0.00 1.01 0.00 0.00 57.45 57.96 1f54 n PHE 19 Cb 0.83 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 40.25 1f54 n PHE 19 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1f54 s ASP 20 N -0.92 6.20 0.03 4.37 -1.08 0.35 -4.80 116.67 120.82 1f54 s ASP 20 Ca 0.17 -1.59 -0.10 0.00 -0.52 0.00 0.00 52.55 50.51 1f54 s ASP 20 Cb 0.10 -2.57 -0.04 0.00 -1.46 0.00 0.00 42.92 38.95 1f54 s ASP 20 CO 0.13 -1.80 1.16 0.50 0.52 0.00 0.00 175.17 175.69 1f54 h LYS 21 N 9.49 -0.16 -0.91 4.34 3.11 -1.84 0.32 116.57 130.92 1f54 h LYS 21 Ca 0.25 0.01 0.26 0.00 -2.81 0.00 0.00 60.65 58.36 1f54 h LYS 21 Cb 0.97 0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 32.20 1f54 h LYS 21 CO 1.38 -0.11 0.94 -0.44 -2.81 0.00 0.00 179.45 178.42 1f54 h ASP 22 N -0.16 0.00 -0.37 4.20 3.32 -1.89 -3.43 116.42 118.09 1f54 h ASP 22 Ca 0.01 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.90 1f54 h ASP 22 Cb 0.20 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.68 1f54 h ASP 22 CO -0.13 0.00 -0.14 -3.20 -1.72 0.00 0.00 179.24 174.04 1f54 n ASN 23 N -3.53 -5.00 -0.18 6.45 2.85 0.11 -4.82 115.26 111.14 1f54 n ASN 23 Ca 0.20 0.19 0.12 0.00 -0.11 0.00 0.00 54.58 54.98 1f54 n ASN 23 Cb 1.24 -3.18 0.23 0.00 1.24 0.00 0.00 39.78 39.30 1f54 n ASN 23 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1f54 n ASN 24 N -0.59 1.02 0.00 1.20 0.23 -1.26 -4.91 115.26 110.95 1f54 n ASN 24 Ca -0.08 -0.81 0.00 0.00 -0.53 0.00 0.00 54.58 53.16 1f54 n ASN 24 Cb 0.43 0.32 0.00 0.00 -2.08 0.00 0.00 39.78 38.45 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 1.42 1.87 3.13 4.83 0.00 -1.26 -5.07 105.19 110.10 1f54 n GLY 25 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.28 0.25 1.61 1.04 -1.26 -2.43 113.70 110.63 1f54 s SER 26 Ca 0.00 0.53 0.05 0.00 0.48 0.00 0.00 55.95 57.01 1f54 s SER 26 Cb 0.00 0.51 -0.05 0.00 0.10 0.00 0.00 66.02 66.58 1f54 s SER 26 CO 0.00 -0.11 -0.02 0.27 0.98 0.00 0.00 173.24 174.36 1f54 s ILE 27 N 0.40 1.27 0.31 -1.02 -4.36 -0.18 -4.48 121.20 113.14 1f54 s ILE 27 Ca -0.02 -2.07 -0.12 0.00 -0.26 0.00 0.00 60.65 58.18 1f54 s ILE 27 Cb -0.04 -2.39 -0.08 0.00 1.25 0.00 0.00 42.46 41.20 1f54 s ILE 27 CO -0.02 -0.31 0.68 -0.55 0.24 0.00 0.00 174.94 174.98 1f54 s SER 28 N -3.36 6.68 0.20 4.36 0.15 -1.26 0.21 113.70 120.68 1f54 s SER 28 Ca 0.29 1.14 -0.21 0.00 0.70 0.00 0.00 55.95 57.87 1f54 s SER 28 Cb 0.05 -2.32 0.15 0.00 -1.71 0.00 0.00 66.02 62.19 1f54 s SER 28 CO 0.10 -0.20 1.57 0.77 1.20 0.00 0.00 173.24 176.68 1f54 h SER 29 N 2.16 -1.35 -1.29 5.45 4.64 -1.95 1.00 113.55 122.21 1f54 h SER 29 Ca -0.47 0.27 0.38 0.00 -0.47 0.00 0.00 61.79 61.49 1f54 h SER 29 Cb 1.18 0.67 -0.08 0.00 -0.31 0.00 0.00 62.40 63.86 1f54 h SER 29 CO 0.66 -0.30 0.88 -1.28 -0.87 0.00 0.00 176.83 175.92 1f54 h SER 30 N -0.10 0.17 0.70 4.97 0.87 -1.93 0.62 113.55 118.85 1f54 h SER 30 Ca 0.27 0.05 -0.26 0.00 -1.23 0.00 0.00 61.79 60.62 1f54 h SER 30 Cb 0.57 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 1f54 h SER 30 CO -0.81 -0.02 -1.28 -0.33 -0.53 0.00 0.00 176.83 173.86 1f54 h GLU 31 N 0.12 0.14 -0.62 2.24 5.08 0.63 -3.33 114.58 118.85 1f54 h GLU 31 Ca 0.68 -0.25 0.05 0.00 -1.00 0.00 0.00 59.36 58.85 1f54 h GLU 31 Cb 2.34 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 31.64 1f54 h GLU 31 CO -0.18 1.04 0.34 1.25 -1.00 0.00 0.00 179.01 180.47 1f54 h LEU 32 N 0.04 0.51 -0.94 1.33 5.85 0.16 -1.41 115.31 120.85 1f54 h LEU 32 Ca -0.13 0.03 0.16 0.00 0.84 0.00 0.00 57.88 58.77 1f54 h LEU 32 Cb 1.92 -0.07 -0.10 0.00 0.37 0.00 0.00 40.66 42.78 1f54 h LEU 32 CO 0.16 0.34 0.54 0.00 -0.34 0.00 0.00 178.44 179.13 1f54 h ALA 33 N 1.32 1.46 0.23 1.25 0.00 -1.57 -0.26 119.26 121.69 1f54 h ALA 33 Ca 0.27 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1f54 h ALA 33 Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1f54 h ALA 33 CO -0.17 -0.01 -0.11 1.15 0.00 0.00 0.00 179.25 180.12 1f54 h THR 34 N 0.75 0.00 -1.53 0.00 2.02 -1.41 -2.70 112.91 110.04 1f54 h THR 34 Ca 0.51 -0.06 0.45 0.00 0.77 0.00 0.00 66.41 68.08 1f54 h THR 34 Cb 0.70 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.03 1f54 h THR 34 CO -0.35 0.00 1.08 -0.37 0.37 0.00 0.00 175.52 176.25 1f54 h VAL 35 N -0.37 0.20 0.84 3.16 -1.51 -1.24 0.13 116.25 117.46 1f54 h VAL 35 Ca -0.03 -0.01 -0.04 0.00 -1.23 0.00 0.00 66.70 65.38 1f54 h VAL 35 Cb 0.23 0.15 0.01 0.00 -2.13 0.00 0.00 31.29 29.56 1f54 h VAL 35 CO 0.05 0.01 -0.41 -0.03 -1.23 0.00 0.00 177.57 175.96 1f54 h MET 36 N 0.04 -1.09 0.00 5.19 4.05 -0.76 -2.40 114.93 119.95 1f54 h MET 36 Ca 0.77 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 60.26 1f54 h MET 36 Cb 2.90 0.25 0.00 0.00 -0.80 0.00 0.00 31.60 33.95 1f54 h MET 36 CO -0.10 -0.73 0.00 0.00 0.23 0.00 0.00 176.91 176.31 1f54 h ARG 37 N -1.17 0.00 -0.21 0.39 3.08 -0.71 -2.94 114.38 112.82 1f54 h ARG 37 Ca -0.12 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.83 1f54 h ARG 37 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 1f54 h ARG 37 CO 0.19 0.00 -0.33 0.77 -1.07 0.00 0.00 179.97 179.53 1f54 h SER 38 N 0.00 0.45 0.19 7.04 0.02 -0.60 -2.74 113.55 117.91 1f54 h SER 38 Ca 0.00 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 1f54 h SER 38 Cb 0.51 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 1f54 h SER 38 CO 0.00 0.75 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.22 1f54 h LEU 39 N 0.37 0.00 0.00 5.07 3.38 -1.24 -3.45 115.31 119.44 1f54 h LEU 39 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 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 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.36 1f54 n GLY 40 N -1.00 1.11 3.34 0.83 0.00 -1.03 -5.12 105.19 103.32 1f54 n GLY 40 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.80 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 1.70 -0.39 0.99 2.34 -1.24 -5.03 118.68 117.05 1f54 s LEU 41 Ca 0.00 -1.58 0.01 0.00 0.06 0.00 0.00 54.13 52.61 1f54 s LEU 41 Cb 0.00 0.21 0.19 0.00 -0.56 0.00 0.00 46.19 46.03 1f54 s LEU 41 CO 0.00 -0.91 0.84 -0.55 -1.06 0.00 0.00 176.35 174.67 1f54 s SER 42 N -3.39 -0.99 0.00 1.48 0.15 -1.26 -4.13 113.70 105.57 1f54 s SER 42 Ca 0.35 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1f54 s SER 42 Cb 0.05 1.27 0.00 0.00 -1.71 0.00 0.00 66.02 65.63 1f54 s SER 42 CO 0.18 -0.09 0.00 -0.81 1.20 0.00 0.00 173.24 173.72 1f54 n PRO 43 N 3.72 1.12 -4.41 5.44 -0.04 -1.26 -5.09 135.00 134.47 1f54 n PRO 43 Ca 0.11 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.36 1f54 n PRO 43 Cb 0.60 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.95 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 -1.40 2.19 0.08 3.54 0.01 -1.26 -5.01 113.70 111.86 1f54 s SER 44 Ca 0.00 -1.33 -0.20 0.00 1.31 0.00 0.00 55.95 55.73 1f54 s SER 44 Cb 0.00 -0.05 -0.06 0.00 0.21 0.00 0.00 66.02 66.12 1f54 s SER 44 CO 0.00 -0.58 1.33 -0.08 0.41 0.00 0.00 173.24 174.32 1f54 h GLU 45 N 2.22 -0.18 -0.83 12.44 4.81 -1.99 0.35 114.58 131.39 1f54 h GLU 45 Ca -0.40 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.00 1f54 h GLU 45 Cb 1.24 0.04 -0.16 0.00 0.63 0.00 0.00 28.75 30.50 1f54 h GLU 45 CO 0.68 -0.12 -0.23 0.00 -0.73 0.00 0.00 179.01 178.60 1f54 h ALA 46 N -0.43 0.48 -0.94 2.92 0.00 -2.00 0.84 119.26 120.12 1f54 h ALA 46 Ca 0.06 0.31 0.12 0.00 0.00 0.00 0.00 54.91 55.40 1f54 h ALA 46 Cb 0.34 0.68 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 1f54 h ALA 46 CO -0.41 -0.44 0.60 1.49 0.00 0.00 0.00 179.25 180.49 1f54 h GLU 47 N -0.01 0.84 -0.16 0.00 4.81 -1.39 -1.83 114.58 116.84 1f54 h GLU 47 Ca 0.39 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 1f54 h GLU 47 Cb 0.61 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1f54 h GLU 47 CO -0.86 0.55 -0.00 0.28 -0.73 0.00 0.00 179.01 178.25 1f54 h VAL 48 N 0.86 1.26 -0.43 0.32 2.07 0.21 -1.43 116.25 119.11 1f54 h VAL 48 Ca 0.46 -0.85 0.09 0.00 0.82 0.00 0.00 66.70 67.22 1f54 h VAL 48 Cb 0.55 1.51 -0.09 0.00 -1.52 0.00 0.00 31.29 31.74 1f54 h VAL 48 CO -0.22 0.25 -0.23 -1.13 0.02 0.00 0.00 177.57 176.26 1f54 h ASN 49 N 0.02 -0.79 -0.55 0.57 -0.73 -0.38 0.14 115.58 113.86 1f54 h ASN 49 Ca 0.04 0.17 -0.06 0.00 1.87 0.00 0.00 56.30 58.32 1f54 h ASN 49 Cb 0.38 0.41 -0.02 0.00 0.27 0.00 0.00 38.32 39.36 1f54 h ASN 49 CO 0.01 -0.26 0.11 0.44 -0.37 0.00 0.00 177.43 177.36 1f54 h ASP 50 N -0.15 0.86 -0.64 1.15 3.32 -1.45 0.42 116.42 119.93 1f54 h ASP 50 Ca 0.20 -0.25 0.04 0.00 0.02 0.00 0.00 57.03 57.05 1f54 h ASP 50 Cb 0.47 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 1f54 h ASP 50 CO -0.52 0.89 0.37 -0.07 -1.72 0.00 0.00 179.24 178.20 1f54 h LEU 51 N 0.80 0.58 0.06 1.55 3.38 -0.05 -1.93 115.31 119.70 1f54 h LEU 51 Ca 0.17 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1f54 h LEU 51 Cb 0.39 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1f54 h LEU 51 CO 0.01 0.39 -0.03 0.24 0.09 0.00 0.00 178.44 179.14 1f54 h MET 52 N 0.72 -0.08 -0.52 1.13 2.86 -0.59 -3.12 114.93 115.33 1f54 h MET 52 Ca 0.27 0.01 0.15 0.00 -2.06 0.00 0.00 59.70 58.07 1f54 h MET 52 Cb 0.10 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1f54 h MET 52 CO -0.14 0.51 0.67 -0.91 1.06 0.00 0.00 176.91 178.09 1f54 h ASN 53 N -0.77 0.00 0.31 1.22 4.21 -0.80 2.38 115.58 122.13 1f54 h ASN 53 Ca -0.01 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.50 1f54 h ASN 53 Cb 0.62 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.82 1f54 h ASN 53 CO 0.01 0.00 -0.06 -0.62 -1.29 0.00 0.00 177.43 175.48 1f54 n GLU 54 N -3.43 0.76 0.00 0.81 1.02 -0.74 -4.46 120.64 114.60 1f54 n GLU 54 Ca 0.10 -0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1f54 n GLU 54 Cb 0.86 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 1f54 n GLU 54 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1f54 n ILE 55 N -0.95 0.00 -1.61 -3.67 3.06 0.56 -5.08 119.36 111.67 1f54 n ILE 55 Ca 0.17 0.00 -0.49 0.00 -2.50 0.00 0.00 62.75 59.92 1f54 n ILE 55 Cb 0.24 -0.29 -0.05 0.00 0.54 0.00 0.00 39.64 40.09 1f54 n ILE 55 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1f54 n ASP 56 N -2.18 1.99 0.01 9.51 2.03 0.67 -4.86 116.55 123.73 1f54 n ASP 56 Ca 0.00 1.12 0.11 0.00 0.52 0.00 0.00 54.79 56.54 1f54 n ASP 56 Cb 0.00 -1.27 -0.11 0.00 -0.72 0.00 0.00 41.12 39.02 1f54 n ASP 56 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1f54 n VAL 57 N 2.40 0.10 0.00 5.18 3.14 -1.26 -4.74 118.33 123.15 1f54 n VAL 57 Ca 0.17 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 1f54 n VAL 57 Cb 0.24 0.18 0.00 0.00 -1.06 0.00 0.00 33.84 33.20 1f54 n VAL 57 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1f54 n ASP 58 N -2.11 0.00 0.00 6.55 8.00 -1.26 -5.09 116.55 122.64 1f54 n ASP 58 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1f54 n ASP 58 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1f54 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f54 n GLY 59 N -0.14 0.08 3.93 0.44 0.00 -1.26 -5.09 105.19 103.15 1f54 n GLY 59 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1f54 n GLY 59 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1f54 s ASN 60 N 0.42 5.58 -0.15 1.61 3.84 -1.26 -5.00 114.94 119.97 1f54 s ASN 60 Ca 0.00 -0.39 -0.34 0.00 0.21 0.00 0.00 52.86 52.34 1f54 s ASN 60 Cb 0.00 -1.01 0.14 0.00 -0.55 0.00 0.00 41.25 39.84 1f54 s ASN 60 CO 0.00 -0.46 1.32 -1.38 -2.79 0.00 0.00 177.10 173.80 1f54 s HIS 61 N -2.27 -0.05 -0.49 0.43 -3.43 -1.26 -4.83 115.29 103.38 1f54 s HIS 61 Ca 0.45 0.01 -0.16 0.00 -0.80 0.00 0.00 55.06 54.55 1f54 s HIS 61 Cb -0.07 0.52 0.08 0.00 -1.43 0.00 0.00 32.58 31.67 1f54 s HIS 61 CO 0.29 -0.14 0.47 -0.65 -2.00 0.00 0.00 174.74 172.72 1f54 s GLN 62 N -2.24 3.01 0.71 -0.38 -0.21 -1.26 -3.88 119.66 115.41 1f54 s GLN 62 Ca 0.12 -1.29 -0.13 0.00 0.02 0.00 0.00 55.36 54.09 1f54 s GLN 62 Cb 0.02 -4.15 0.02 0.00 1.00 0.00 0.00 33.01 29.91 1f54 s GLN 62 CO -0.04 -1.13 1.10 0.42 -2.12 0.00 0.00 175.29 173.52 1f54 s ILE 63 N 1.90 3.30 -0.09 1.08 1.01 0.56 -4.76 121.20 124.20 1f54 s ILE 63 Ca 0.07 0.52 0.04 0.00 0.00 0.00 0.00 60.65 61.28 1f54 s ILE 63 Cb -0.24 -3.03 -0.00 0.00 0.01 0.00 0.00 42.46 39.20 1f54 s ILE 63 CO 0.07 -0.46 -0.24 -0.70 0.00 0.00 0.00 174.94 173.62 1f54 s GLU 64 N -4.45 2.89 0.47 2.79 2.12 -1.26 -1.02 118.70 120.25 1f54 s GLU 64 Ca 0.64 -0.86 0.34 0.00 0.36 0.00 0.00 54.97 55.46 1f54 s GLU 64 Cb -0.19 -2.23 1.48 0.00 0.26 0.00 0.00 34.13 33.46 1f54 s GLU 64 CO 0.48 0.21 1.65 0.35 -0.54 0.00 0.00 175.26 177.40 1f54 h PHE 65 N 6.61 0.36 0.00 5.30 3.57 -1.87 0.55 116.94 131.46 1f54 h PHE 65 Ca -0.22 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.30 1f54 h PHE 65 Cb 1.23 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1f54 h PHE 65 CO 0.46 -0.11 0.00 0.43 -2.23 0.00 0.00 178.31 176.86 1f54 n SER 66 N -4.46 0.00 -0.41 0.41 7.64 -1.26 -2.52 113.62 113.02 1f54 n SER 66 Ca 0.36 0.26 0.33 0.00 1.01 0.00 0.00 58.87 60.84 1f54 n SER 66 Cb 1.49 0.00 0.61 0.00 -1.01 0.00 0.00 64.21 65.29 1f54 n SER 66 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1f54 h GLU 67 N 0.00 0.13 -0.05 1.43 -0.00 -1.91 0.14 114.58 114.32 1f54 h GLU 67 Ca 0.00 -0.01 0.02 0.00 -0.00 0.00 0.00 59.36 59.38 1f54 h GLU 67 Cb 0.00 -0.03 -0.06 0.00 -0.00 0.00 0.00 28.75 28.66 1f54 h GLU 67 CO 0.00 0.09 -0.54 0.35 -0.00 0.00 0.00 179.01 178.91 1f54 h PHE 68 N 0.14 -1.58 0.01 2.06 3.57 -0.91 -0.96 116.94 119.27 1f54 h PHE 68 Ca 0.79 0.05 -0.26 0.00 3.53 0.00 0.00 57.97 62.09 1f54 h PHE 68 Cb 2.33 0.70 0.02 0.00 2.79 0.00 0.00 35.95 41.78 1f54 h PHE 68 CO -0.01 -0.56 -1.02 -0.07 -2.23 0.00 0.00 178.31 174.43 1f54 h LEU 69 N -0.64 0.87 -1.72 0.59 4.07 -0.70 -0.58 115.31 117.20 1f54 h LEU 69 Ca 0.02 -0.75 0.16 0.00 0.08 0.00 0.00 57.88 57.38 1f54 h LEU 69 Cb 0.70 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.15 1f54 h LEU 69 CO -0.38 1.51 0.64 0.00 -1.08 0.00 0.00 178.44 179.13 1f54 h ALA 70 N 0.37 2.28 0.00 1.53 0.00 -0.56 -2.36 119.26 120.52 1f54 h ALA 70 Ca -0.13 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 54.46 1f54 h ALA 70 Cb 1.68 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.46 1f54 h ALA 70 CO 0.20 -0.92 -2.07 1.28 0.00 0.00 0.00 179.25 177.74 1f54 n LEU 71 N -3.51 2.16 -0.29 0.00 4.32 -0.39 -4.44 117.00 114.85 1f54 n LEU 71 Ca 0.11 0.08 0.34 0.00 -0.02 0.00 0.00 56.01 56.51 1f54 n LEU 71 Cb 0.84 -0.61 0.67 0.00 -1.62 0.00 0.00 43.42 42.70 1f54 n LEU 71 CO 0.25 0.60 1.31 -0.03 -1.22 0.00 0.00 177.39 178.30 1f54 h MET 72 N -0.36 0.00 0.00 3.23 4.05 -0.60 1.14 114.93 122.39 1f54 h MET 72 Ca -0.46 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 1f54 h MET 72 Cb 1.53 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.33 1f54 h MET 72 CO -0.19 0.00 0.00 -1.13 0.23 0.00 0.00 176.91 175.82 1f54 n SER 73 N -3.73 0.33 -0.07 1.39 3.41 -0.97 -0.94 113.62 113.05 1f54 n SER 73 Ca 0.25 0.64 0.16 0.00 -0.26 0.00 0.00 58.87 59.66 1f54 n SER 73 Cb 1.38 -0.69 0.88 0.00 -0.26 0.00 0.00 64.21 65.51 1f54 n SER 73 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1f54 n ARG 74 N -1.94 1.06 -2.70 4.33 0.63 0.39 -4.30 116.66 114.14 1f54 n ARG 74 Ca -0.00 -0.14 -0.06 0.00 -0.92 0.00 0.00 57.85 56.73 1f54 n ARG 74 Cb 0.05 -1.50 0.09 0.00 0.45 0.00 0.00 32.46 31.55 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 -0.85 0.56 -4.23 -0.14 7.27 -0.11 -5.13 117.38 114.74 1f54 n GLN 75 Ca 0.23 -1.31 -0.31 0.00 0.07 0.00 0.00 57.00 55.67 1f54 n GLN 75 Cb 0.15 -0.69 -0.16 0.00 2.41 0.00 0.00 30.24 31.95 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 -1.36 1.90 0.00 1.69 0.20 -1.18 -5.02 118.68 114.91 1f54 s LEU 76 Ca 0.24 -0.55 0.00 0.00 0.69 0.00 0.00 54.13 54.51 1f54 s LEU 76 Cb 0.27 -1.31 0.00 0.00 -0.43 0.00 0.00 46.19 44.73 1f54 s LEU 76 CO -0.14 -0.00 0.00 0.29 -0.29 0.00 0.00 176.35 176.21