#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 5.54 0.00 -3.46 0.01 -1.26 -5.02 113.70 109.51 1f54 s SER 2 Ca 0.00 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1f54 s SER 2 Cb 0.00 -0.67 0.00 0.00 0.21 0.00 0.00 66.02 65.56 1f54 s SER 2 CO 0.00 -0.88 0.00 -3.20 0.41 0.00 0.00 173.24 169.57 1f54 n ASN 3 N -1.98 0.00 -4.62 2.44 5.15 -1.26 -5.07 115.26 109.92 1f54 n ASN 3 Ca 0.08 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.78 1f54 n ASN 3 Cb 0.59 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.73 1f54 n ASN 3 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1f54 s LEU 4 N -2.80 2.84 0.00 1.20 2.96 -1.26 -4.97 118.68 116.65 1f54 s LEU 4 Ca 0.00 -1.38 0.00 0.00 -0.22 0.00 0.00 54.13 52.53 1f54 s LEU 4 Cb 0.00 -0.88 0.00 0.00 0.50 0.00 0.00 46.19 45.81 1f54 s LEU 4 CO 0.00 -0.47 0.00 0.41 -1.32 0.00 0.00 176.35 174.97 1f54 n THR 5 N -0.97 0.00 0.16 3.68 -1.04 -1.26 -5.01 114.28 109.84 1f54 n THR 5 Ca -0.05 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.90 1f54 n THR 5 Cb 0.67 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.15 1f54 n THR 5 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1f54 h GLU 6 N 0.00 -0.38 -0.95 -2.82 5.08 -2.01 -1.64 114.58 111.85 1f54 h GLU 6 Ca 0.00 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.57 1f54 h GLU 6 Cb 0.00 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 29.23 1f54 h GLU 6 CO 0.00 -0.25 0.54 0.93 -1.00 0.00 0.00 179.01 179.23 1f54 h GLU 7 N -0.42 0.68 0.35 2.33 5.08 -1.99 -1.80 114.58 118.80 1f54 h GLU 7 Ca -0.04 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1f54 h GLU 7 Cb 0.30 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1f54 h GLU 7 CO 0.07 0.45 -0.34 0.37 -1.00 0.00 0.00 179.01 178.55 1f54 h GLN 8 N 0.70 -0.66 -1.01 2.33 5.75 -1.93 0.36 115.11 120.65 1f54 h GLN 8 Ca 0.55 0.04 0.26 0.00 -0.15 0.00 0.00 58.65 59.35 1f54 h GLN 8 Cb 0.84 0.15 -0.08 0.00 1.07 0.00 0.00 27.48 29.47 1f54 h GLN 8 CO -0.39 -0.44 0.67 0.82 -2.65 0.00 0.00 178.83 176.84 1f54 h ILE 9 N -0.68 0.56 0.53 2.39 2.04 -0.80 -1.43 117.51 120.12 1f54 h ILE 9 Ca -0.04 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 1f54 h ILE 9 Cb 0.59 0.19 0.01 0.00 -0.74 0.00 0.00 36.82 36.87 1f54 h ILE 9 CO -0.04 0.06 -0.26 0.00 0.00 0.00 0.00 178.15 177.92 1f54 h ALA 10 N 1.59 -0.72 -0.96 1.87 0.00 -0.46 -2.66 119.26 117.93 1f54 h ALA 10 Ca 0.55 -0.20 0.26 0.00 0.00 0.00 0.00 54.91 55.52 1f54 h ALA 10 Cb 1.50 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 19.51 1f54 h ALA 10 CO -0.21 -0.77 0.67 0.93 0.00 0.00 0.00 179.25 179.86 1f54 h GLU 11 N -0.98 0.15 0.02 0.00 3.07 0.08 -0.52 114.58 116.41 1f54 h GLU 11 Ca -0.07 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1f54 h GLU 11 Cb 0.63 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 1f54 h GLU 11 CO 0.12 0.10 -0.01 0.74 -1.40 0.00 0.00 179.01 178.56 1f54 h PHE 12 N 0.16 -0.02 -0.06 4.33 -1.00 -1.14 -2.51 116.94 116.69 1f54 h PHE 12 Ca 0.48 -0.00 0.04 0.00 2.81 0.00 0.00 57.97 61.30 1f54 h PHE 12 Cb 1.63 0.01 -0.05 0.00 3.61 0.00 0.00 35.95 41.15 1f54 h PHE 12 CO -0.00 0.27 -0.25 -0.22 -1.61 0.00 0.00 178.31 176.50 1f54 h LYS 13 N -0.32 -0.34 -0.99 1.51 3.64 -0.76 0.10 116.57 119.41 1f54 h LYS 13 Ca -0.00 0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.59 1f54 h LYS 13 Cb 0.31 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 32.10 1f54 h LYS 13 CO 0.00 -0.23 0.61 0.93 -2.27 0.00 0.00 179.45 178.50 1f54 h GLU 14 N -0.36 0.70 0.01 1.90 5.08 -1.47 0.89 114.58 121.34 1f54 h GLU 14 Ca 0.08 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1f54 h GLU 14 Cb 0.47 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1f54 h GLU 14 CO -0.27 0.46 -0.01 0.00 -1.00 0.00 0.00 179.01 178.20 1f54 h ALA 15 N 1.63 -0.44 -0.91 3.43 0.00 -0.68 -0.24 119.26 122.05 1f54 h ALA 15 Ca 0.56 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.66 1f54 h ALA 15 Cb 0.92 0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.55 1f54 h ALA 15 CO -0.34 -0.44 -0.17 0.35 0.00 0.00 0.00 179.25 178.65 1f54 h PHE 16 N -0.04 -0.38 0.00 0.00 3.57 -0.74 1.57 116.94 120.92 1f54 h PHE 16 Ca -0.00 0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1f54 h PHE 16 Cb 0.02 0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.06 1f54 h PHE 16 CO 0.10 -0.39 -0.16 0.00 -2.23 0.00 0.00 178.31 175.63 1f54 h ALA 17 N 1.90 1.08 0.00 2.41 0.00 -0.91 -2.34 119.26 121.40 1f54 h ALA 17 Ca 0.46 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1f54 h ALA 17 Cb 0.75 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1f54 h ALA 17 CO -0.91 0.20 -0.00 1.25 0.00 0.00 0.00 179.25 179.78 1f54 h LEU 18 N 0.00 0.00 -0.86 0.00 6.46 0.42 -2.22 115.31 119.11 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 0.59 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 1f54 h LEU 18 CO 0.02 0.00 0.00 0.49 -0.62 0.00 0.00 178.44 178.33 1f54 n PHE 19 N -3.23 0.00 -1.74 1.25 3.01 -1.01 -4.95 117.46 110.79 1f54 n PHE 19 Ca -0.03 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.25 1f54 n PHE 19 Cb 0.08 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.49 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 -0.08 4.34 0.32 4.37 2.15 -0.84 -4.74 116.67 122.18 1f54 s ASP 20 Ca 0.00 -0.20 0.04 0.00 0.43 0.00 0.00 52.55 52.82 1f54 s ASP 20 Cb 0.00 -2.55 0.53 0.00 -0.30 0.00 0.00 42.92 40.60 1f54 s ASP 20 CO 0.00 -3.47 1.80 0.50 -0.17 0.00 0.00 175.17 173.84 1f54 h LYS 21 N 12.25 0.46 0.00 4.34 3.11 -1.88 -1.90 116.57 132.95 1f54 h LYS 21 Ca 0.03 -0.14 0.00 0.00 -2.81 0.00 0.00 60.65 57.74 1f54 h LYS 21 Cb 1.00 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.19 1f54 h LYS 21 CO 1.08 0.60 0.00 -0.25 -2.81 0.00 0.00 179.45 178.07 1f54 n ASP 22 N -4.20 0.49 -2.72 4.20 9.92 -1.26 -4.81 116.55 118.17 1f54 n ASP 22 Ca 0.00 0.70 -0.17 0.00 -0.53 0.00 0.00 54.79 54.79 1f54 n ASP 22 Cb 0.33 -0.77 -0.00 0.00 -0.64 0.00 0.00 41.12 40.03 1f54 n ASP 22 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1f54 n ASN 23 N -2.13 -4.42 0.00 -2.24 2.85 -0.71 -4.77 115.26 103.84 1f54 n ASN 23 Ca -0.00 -0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 1f54 n ASN 23 Cb 0.07 -3.69 0.00 0.00 1.24 0.00 0.00 39.78 37.40 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 -2.04 0.59 0.00 1.20 6.94 -1.26 -4.98 115.26 115.71 1f54 n ASN 24 Ca -0.13 -1.16 0.00 0.00 -0.02 0.00 0.00 54.58 53.27 1f54 n ASN 24 Cb 0.61 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.03 1f54 n ASN 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1f54 n GLY 25 N -0.08 1.10 2.88 4.83 0.00 -1.26 -5.05 105.19 107.60 1f54 n GLY 25 Ca 0.00 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.05 0.56 0.33 1.61 1.04 -1.26 -2.03 113.70 111.90 1f54 s SER 26 Ca 0.00 -0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.44 1f54 s SER 26 Cb 0.00 -0.22 -0.07 0.00 0.10 0.00 0.00 66.02 65.83 1f54 s SER 26 CO 0.00 -0.04 -0.05 0.27 0.98 0.00 0.00 173.24 174.40 1f54 s ILE 27 N 0.62 1.93 0.35 -1.02 -4.36 -0.44 -4.04 121.20 114.23 1f54 s ILE 27 Ca -0.07 -2.13 -0.11 0.00 -0.26 0.00 0.00 60.65 58.08 1f54 s ILE 27 Cb -0.10 -2.66 -0.07 0.00 1.25 0.00 0.00 42.46 40.88 1f54 s ILE 27 CO -0.01 -0.18 0.71 -0.55 0.24 0.00 0.00 174.94 175.16 1f54 s SER 28 N -3.57 6.61 0.26 4.36 0.15 -1.26 0.19 113.70 120.45 1f54 s SER 28 Ca 0.32 1.13 -0.04 0.00 0.70 0.00 0.00 55.95 58.05 1f54 s SER 28 Cb 0.05 -2.31 0.52 0.00 -1.71 0.00 0.00 66.02 62.57 1f54 s SER 28 CO 0.15 -0.28 1.62 -1.28 1.20 0.00 0.00 173.24 174.66 1f54 h SER 29 N 1.78 -0.34 -0.79 5.45 0.87 -1.96 0.94 113.55 119.50 1f54 h SER 29 Ca -0.47 0.21 0.20 0.00 -1.23 0.00 0.00 61.79 60.50 1f54 h SER 29 Cb 1.18 0.37 -0.04 0.00 -0.44 0.00 0.00 62.40 63.46 1f54 h SER 29 CO 0.65 -0.21 0.54 -1.28 -0.53 0.00 0.00 176.83 176.01 1f54 h SER 30 N 0.10 0.18 0.67 6.23 0.87 -1.94 0.36 113.55 120.02 1f54 h SER 30 Ca 0.46 0.02 -0.27 0.00 -1.23 0.00 0.00 61.79 60.77 1f54 h SER 30 Cb 0.86 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 1f54 h SER 30 CO -0.72 0.08 -1.27 -0.33 -0.53 0.00 0.00 176.83 174.06 1f54 h GLU 31 N 0.19 0.20 -0.65 2.24 5.08 0.51 -3.29 114.58 118.85 1f54 h GLU 31 Ca 0.39 -0.34 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1f54 h GLU 31 Cb 1.25 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 30.58 1f54 h GLU 31 CO -0.07 1.12 0.43 1.25 -1.00 0.00 0.00 179.01 180.74 1f54 h LEU 32 N 0.05 0.57 -0.45 1.33 5.85 0.17 -1.69 115.31 121.14 1f54 h LEU 32 Ca -0.14 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.59 1f54 h LEU 32 Cb 1.94 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.83 1f54 h LEU 32 CO 0.17 0.37 0.29 0.00 -0.34 0.00 0.00 178.44 178.93 1f54 h ALA 33 N 1.65 0.57 0.49 1.25 0.00 -1.55 -1.21 119.26 120.46 1f54 h ALA 33 Ca 0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1f54 h ALA 33 Cb 0.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1f54 h ALA 33 CO -0.09 -0.00 -0.24 1.15 0.00 0.00 0.00 179.25 180.07 1f54 h THR 34 N 0.59 0.00 -1.29 0.00 2.02 -1.46 -2.57 112.91 110.20 1f54 h THR 34 Ca 0.17 -0.05 0.41 0.00 0.77 0.00 0.00 66.41 67.70 1f54 h THR 34 Cb -0.04 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.25 1f54 h THR 34 CO -0.05 0.00 0.83 -0.37 0.37 0.00 0.00 175.52 176.30 1f54 h VAL 35 N -0.71 0.20 0.69 3.16 -1.51 -1.45 0.27 116.25 116.90 1f54 h VAL 35 Ca -0.07 -0.05 -0.03 0.00 -1.23 0.00 0.00 66.70 65.33 1f54 h VAL 35 Cb 0.51 0.05 -0.00 0.00 -2.13 0.00 0.00 31.29 29.72 1f54 h VAL 35 CO 0.11 0.02 -0.41 -0.03 -1.23 0.00 0.00 177.57 176.04 1f54 h MET 36 N 0.13 -0.98 0.00 5.19 4.05 -0.83 -2.30 114.93 120.19 1f54 h MET 36 Ca 0.78 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 60.26 1f54 h MET 36 Cb 2.41 0.22 0.00 0.00 -0.80 0.00 0.00 31.60 33.44 1f54 h MET 36 CO -0.37 -0.66 0.00 -0.09 0.23 0.00 0.00 176.91 176.02 1f54 h ARG 37 N -1.02 0.00 -0.10 0.39 2.43 -0.77 -2.95 114.38 112.36 1f54 h ARG 37 Ca -0.09 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.96 1f54 h ARG 37 Cb 0.81 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 1f54 h ARG 37 CO 0.10 0.00 -0.48 0.77 -1.51 0.00 0.00 179.97 178.86 1f54 h SER 38 N 0.00 0.27 0.18 -3.80 0.02 -0.12 -2.84 113.55 107.26 1f54 h SER 38 Ca 0.00 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1f54 h SER 38 Cb 0.47 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 1f54 h SER 38 CO 0.00 0.71 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.17 1f54 h LEU 39 N 0.20 0.00 0.00 5.07 3.38 -1.24 -3.45 115.31 119.27 1f54 h LEU 39 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1f54 h LEU 39 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1f54 h LEU 39 CO 0.07 0.16 0.00 0.61 0.09 0.00 0.00 178.44 179.37 1f54 n GLY 40 N -1.04 0.69 3.42 0.83 0.00 -1.07 -5.12 105.19 102.90 1f54 n GLY 40 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 1.87 -0.40 0.99 2.34 -1.22 -5.08 118.68 117.19 1f54 s LEU 41 Ca 0.00 -1.72 0.02 0.00 0.06 0.00 0.00 54.13 52.50 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 -1.00 0.80 -0.55 -1.06 0.00 0.00 176.35 174.54 1f54 s SER 42 N -3.51 -1.11 0.00 1.48 0.15 -1.26 -4.33 113.70 105.12 1f54 s SER 42 Ca 0.30 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 56.18 1f54 s SER 42 Cb 0.02 1.43 0.00 0.00 -1.71 0.00 0.00 66.02 65.76 1f54 s SER 42 CO 0.20 -0.10 0.00 -0.81 1.20 0.00 0.00 173.24 173.73 1f54 n PRO 43 N 3.78 1.12 -3.34 5.44 -0.04 -1.26 -5.10 135.00 135.60 1f54 n PRO 43 Ca 0.11 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.43 1f54 n PRO 43 Cb 0.59 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.01 1f54 n PRO 43 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1f54 n SER 44 N 0.00 0.77 0.27 3.54 2.88 -1.26 -5.01 113.62 114.80 1f54 n SER 44 Ca 0.00 -2.23 -0.16 0.00 -1.33 0.00 0.00 58.87 55.14 1f54 n SER 44 Cb 0.00 0.67 -0.08 0.00 -0.75 0.00 0.00 64.21 64.04 1f54 n SER 44 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1f54 h GLU 45 N 0.00 -0.79 -0.48 -1.46 4.81 -2.00 -2.02 114.58 112.65 1f54 h GLU 45 Ca -0.17 0.05 0.10 0.00 -0.13 0.00 0.00 59.36 59.21 1f54 h GLU 45 Cb 0.69 0.18 -0.10 0.00 0.63 0.00 0.00 28.75 30.15 1f54 h GLU 45 CO 0.26 -0.53 -0.23 0.00 -0.73 0.00 0.00 179.01 177.79 1f54 h ALA 46 N -0.43 0.11 -0.99 2.92 0.00 -2.00 0.27 119.26 119.14 1f54 h ALA 46 Ca -0.04 0.16 0.21 0.00 0.00 0.00 0.00 54.91 55.23 1f54 h ALA 46 Cb 0.71 0.55 -0.10 0.00 0.00 0.00 0.00 17.79 18.95 1f54 h ALA 46 CO -0.02 -0.57 0.62 1.49 0.00 0.00 0.00 179.25 180.77 1f54 h GLU 47 N -0.12 0.62 0.22 0.00 4.81 -1.89 -1.51 114.58 116.71 1f54 h GLU 47 Ca 0.22 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1f54 h GLU 47 Cb 0.47 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1f54 h GLU 47 CO -0.55 0.41 -0.11 0.28 -0.73 0.00 0.00 179.01 178.31 1f54 h VAL 48 N 0.64 0.86 -0.89 0.32 2.07 0.24 0.17 116.25 119.66 1f54 h VAL 48 Ca 0.57 -0.58 0.23 0.00 0.82 0.00 0.00 66.70 67.74 1f54 h VAL 48 Cb 1.05 1.19 -0.16 0.00 -1.52 0.00 0.00 31.29 31.85 1f54 h VAL 48 CO -0.34 0.13 0.07 -1.13 0.02 0.00 0.00 177.57 176.32 1f54 h ASN 49 N -0.59 -0.33 0.84 0.57 -0.73 -0.29 0.51 115.58 115.56 1f54 h ASN 49 Ca -0.03 0.24 -0.21 0.00 1.87 0.00 0.00 56.30 58.16 1f54 h ASN 49 Cb 0.43 0.39 -0.02 0.00 0.27 0.00 0.00 38.32 39.40 1f54 h ASN 49 CO 0.05 -0.26 -1.00 -0.78 -0.37 0.00 0.00 177.43 175.07 1f54 h ASP 50 N 0.08 0.12 -0.15 1.15 1.82 -1.38 -2.60 116.42 115.46 1f54 h ASP 50 Ca 0.53 -0.11 0.04 0.00 -0.39 0.00 0.00 57.03 57.10 1f54 h ASP 50 Cb 1.06 -0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.99 1f54 h ASP 50 CO -0.78 1.04 -0.08 0.25 -1.61 0.00 0.00 179.24 178.05 1f54 h LEU 51 N 0.03 -0.28 -0.01 2.28 5.85 0.31 -1.64 115.31 121.85 1f54 h LEU 51 Ca -0.04 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1f54 h LEU 51 Cb 1.72 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.90 1f54 h LEU 51 CO 0.14 -0.11 -0.10 0.24 -0.34 0.00 0.00 178.44 178.27 1f54 h MET 52 N -0.08 0.08 -0.26 1.25 2.86 -1.37 -3.12 114.93 114.29 1f54 h MET 52 Ca 0.09 -0.07 0.08 0.00 -2.06 0.00 0.00 59.70 57.73 1f54 h MET 52 Cb 0.21 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1f54 h MET 52 CO -0.20 0.80 0.62 -0.91 1.06 0.00 0.00 176.91 178.28 1f54 h ASN 53 N -0.62 0.00 0.52 1.22 4.21 -1.37 2.44 115.58 121.98 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 0.83 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.03 1f54 h ASN 53 CO 0.02 0.00 -0.04 -0.62 -1.29 0.00 0.00 177.43 175.50 1f54 n GLU 54 N -3.09 0.48 0.00 0.81 -0.58 -0.63 -4.54 120.64 113.09 1f54 n GLU 54 Ca 0.05 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1f54 n GLU 54 Cb 0.73 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 1f54 n GLU 54 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1f54 n ILE 55 N -1.20 0.00 -1.53 -3.67 3.06 0.52 -5.04 119.36 111.50 1f54 n ILE 55 Ca 0.14 0.00 -0.36 0.00 -2.50 0.00 0.00 62.75 60.03 1f54 n ILE 55 Cb 0.25 -0.14 -0.09 0.00 0.54 0.00 0.00 39.64 40.21 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 -2.15 1.33 -0.03 9.51 2.03 0.70 -4.76 116.55 123.18 1f54 n ASP 56 Ca 0.00 -0.31 -0.17 0.00 0.52 0.00 0.00 54.79 54.84 1f54 n ASP 56 Cb 0.00 -1.29 -0.08 0.00 -0.72 0.00 0.00 41.12 39.03 1f54 n ASP 56 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1f54 h VAL 57 N 7.79 1.32 -0.39 5.18 2.07 -1.89 -3.42 116.25 126.91 1f54 h VAL 57 Ca -0.14 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.49 1f54 h VAL 57 Cb 1.26 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 33.13 1f54 h VAL 57 CO 1.26 0.58 0.00 -0.90 0.02 0.00 0.00 177.57 178.53 1f54 n ASP 58 N -4.10 0.00 0.36 0.57 5.75 -1.26 -5.06 116.55 112.81 1f54 n ASP 58 Ca -0.08 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.55 1f54 n ASP 58 Cb 0.67 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.68 1f54 n ASP 58 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1f54 h GLY 59 N 0.00 -0.98 -1.65 6.12 0.00 -2.02 -3.46 103.07 101.07 1f54 h GLY 59 Ca 0.00 0.36 -0.58 0.00 0.00 0.00 0.00 47.33 47.12 1f54 h GLY 59 CO 0.00 -0.36 -0.59 0.21 0.00 0.00 0.00 176.54 175.80 1f54 s ASN 60 N -4.47 3.32 -0.02 0.19 2.47 -1.26 -5.02 114.94 110.15 1f54 s ASN 60 Ca -0.15 -1.41 -0.29 0.00 0.42 0.00 0.00 52.86 51.43 1f54 s ASN 60 Cb 0.02 -0.16 0.10 0.00 -1.45 0.00 0.00 41.25 39.76 1f54 s ASN 60 CO 0.46 -0.57 1.30 -1.38 -3.72 0.00 0.00 177.10 173.19 1f54 s HIS 61 N -2.95 0.01 -0.39 0.43 -3.43 -1.26 -4.86 115.29 102.83 1f54 s HIS 61 Ca 0.32 -0.11 -0.07 0.00 -0.80 0.00 0.00 55.06 54.41 1f54 s HIS 61 Cb 0.08 0.55 0.07 0.00 -1.43 0.00 0.00 32.58 31.86 1f54 s HIS 61 CO 0.16 -0.25 0.19 -0.65 -2.00 0.00 0.00 174.74 172.19 1f54 s GLN 62 N -2.11 2.47 0.69 -0.38 -0.21 -1.26 -4.04 119.66 114.82 1f54 s GLN 62 Ca 0.25 -1.46 -0.12 0.00 0.02 0.00 0.00 55.36 54.05 1f54 s GLN 62 Cb 0.01 -3.61 0.01 0.00 1.00 0.00 0.00 33.01 30.42 1f54 s GLN 62 CO -0.02 -0.89 1.08 0.42 -2.12 0.00 0.00 175.29 173.77 1f54 s ILE 63 N 1.34 3.60 -0.11 1.08 1.01 0.49 -4.79 121.20 123.83 1f54 s ILE 63 Ca 0.02 0.61 0.03 0.00 0.00 0.00 0.00 60.65 61.31 1f54 s ILE 63 Cb -0.22 -3.18 0.01 0.00 0.01 0.00 0.00 42.46 39.08 1f54 s ILE 63 CO 0.01 -0.59 -0.22 -1.61 0.00 0.00 0.00 174.94 172.53 1f54 s GLU 64 N -4.62 2.84 0.41 2.79 0.41 -1.26 -1.33 118.70 117.94 1f54 s GLU 64 Ca 0.62 -0.80 0.26 0.00 -0.41 0.00 0.00 54.97 54.63 1f54 s GLU 64 Cb -0.17 -2.21 1.34 0.00 -1.78 0.00 0.00 34.13 31.30 1f54 s GLU 64 CO 0.49 0.09 1.64 0.35 -0.49 0.00 0.00 175.26 177.34 1f54 h PHE 65 N 6.96 0.63 0.00 1.61 3.57 -1.81 0.11 116.94 128.02 1f54 h PHE 65 Ca -0.25 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.28 1f54 h PHE 65 Cb 1.22 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1f54 h PHE 65 CO 0.47 -0.21 0.00 0.43 -2.23 0.00 0.00 178.31 176.77 1f54 n SER 66 N -4.80 0.00 -0.31 0.41 7.64 -1.26 -2.40 113.62 112.90 1f54 n SER 66 Ca 0.35 0.54 0.15 0.00 1.01 0.00 0.00 58.87 60.92 1f54 n SER 66 Cb 1.30 -0.06 0.33 0.00 -1.01 0.00 0.00 64.21 64.76 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 0.30 -0.65 1.43 4.11 -1.87 0.22 114.58 118.13 1f54 h GLU 67 Ca 0.00 -0.02 0.06 0.00 0.07 0.00 0.00 59.36 59.48 1f54 h GLU 67 Cb 0.00 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.09 1f54 h GLU 67 CO 0.00 0.20 -0.55 0.35 0.07 0.00 0.00 179.01 179.08 1f54 h PHE 68 N 0.31 -1.72 -0.01 2.06 3.57 -0.78 0.02 116.94 120.39 1f54 h PHE 68 Ca 0.58 0.10 -0.26 0.00 3.53 0.00 0.00 57.97 61.93 1f54 h PHE 68 Cb 1.18 0.84 0.02 0.00 2.79 0.00 0.00 35.95 40.77 1f54 h PHE 68 CO -0.17 -0.42 -1.01 -0.07 -2.23 0.00 0.00 178.31 174.42 1f54 h LEU 69 N -0.21 0.85 -1.76 0.59 4.07 -0.88 -0.87 115.31 117.10 1f54 h LEU 69 Ca 0.11 -0.67 0.15 0.00 0.08 0.00 0.00 57.88 57.55 1f54 h LEU 69 Cb 0.49 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 1f54 h LEU 69 CO -0.72 1.47 0.62 0.00 -1.08 0.00 0.00 178.44 178.73 1f54 h ALA 70 N 0.48 2.27 0.00 1.53 0.00 0.28 -1.84 119.26 121.97 1f54 h ALA 70 Ca -0.12 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.51 1f54 h ALA 70 Cb 1.65 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 1f54 h ALA 70 CO 0.19 -0.89 -2.00 1.28 0.00 0.00 0.00 179.25 177.83 1f54 n LEU 71 N -3.55 2.38 -0.04 0.00 4.32 -0.09 -4.43 117.00 115.59 1f54 n LEU 71 Ca 0.10 -0.08 0.24 0.00 -0.02 0.00 0.00 56.01 56.26 1f54 n LEU 71 Cb 0.82 -0.43 0.71 0.00 -1.62 0.00 0.00 43.42 42.90 1f54 n LEU 71 CO 0.25 0.71 1.22 -0.03 -1.22 0.00 0.00 177.39 178.32 1f54 h MET 72 N 0.00 0.00 -0.51 3.23 4.05 -0.33 -0.04 114.93 121.33 1f54 h MET 72 Ca -0.39 0.00 0.15 0.00 -0.28 0.00 0.00 59.70 59.18 1f54 h MET 72 Cb 1.67 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.45 1f54 h MET 72 CO -0.05 0.00 0.78 1.03 0.23 0.00 0.00 176.91 178.90 1f54 h SER 73 N 0.00 0.00 -0.93 1.39 0.87 -1.67 0.35 113.55 113.57 1f54 h SER 73 Ca 0.31 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.86 1f54 h SER 73 Cb 1.52 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.44 1f54 h SER 73 CO -0.00 0.00 0.54 -0.09 -0.53 0.00 0.00 176.83 176.75 1f54 h ARG 74 N 0.00 1.27 0.00 2.24 2.43 -1.32 -3.43 114.38 115.57 1f54 h ARG 74 Ca 0.24 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1f54 h ARG 74 Cb 1.79 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 31.08 1f54 h ARG 74 CO -0.00 0.90 0.00 1.04 -1.51 0.00 0.00 179.97 180.40 1f54 n GLN 75 N -4.35 2.32 -1.76 0.20 6.02 0.12 -4.99 117.38 114.94 1f54 n GLN 75 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1f54 n GLN 75 Cb 0.07 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.33 1f54 n GLN 75 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1f54 n LEU 76 N 0.00 -5.89 0.00 1.08 0.00 -1.26 -5.07 117.00 105.87 1f54 n LEU 76 Ca 0.00 2.94 0.00 0.00 0.00 0.00 0.00 56.01 58.95 1f54 n LEU 76 Cb 0.00 -2.80 0.00 0.00 0.00 0.00 0.00 43.42 40.62 1f54 n LEU 76 CO 0.00 -0.95 0.05 2.29 0.00 0.00 0.00 177.39 178.79