#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 -5.23 0.00 -3.46 7.64 -1.26 -4.68 113.62 106.63 1f54 n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1f54 n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1f54 n SER 2 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1f54 n ASN 3 N -2.58 0.00 -4.62 6.43 3.02 -1.26 -4.64 115.26 111.60 1f54 n ASN 3 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.26 1f54 n ASN 3 Cb 0.00 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.36 1f54 n ASN 3 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1f54 s LEU 4 N 0.00 1.79 0.00 3.41 2.96 -1.26 -5.06 118.68 120.52 1f54 s LEU 4 Ca 0.00 1.59 0.00 0.00 -0.22 0.00 0.00 54.13 55.50 1f54 s LEU 4 Cb 0.00 -3.80 0.00 0.00 0.50 0.00 0.00 46.19 42.89 1f54 s LEU 4 CO 0.00 -3.33 0.00 0.41 -1.32 0.00 0.00 176.35 172.11 1f54 n THR 5 N -4.35 0.00 0.07 3.68 -1.04 -1.26 -4.81 114.28 106.58 1f54 n THR 5 Ca 0.06 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.04 1f54 n THR 5 Cb 0.54 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.04 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 -0.18 -0.96 -2.82 4.39 -2.00 -2.36 114.58 110.65 1f54 h GLU 6 Ca 0.00 0.01 0.19 0.00 0.34 0.00 0.00 59.36 59.90 1f54 h GLU 6 Cb 0.00 0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 28.59 1f54 h GLU 6 CO 0.00 -0.12 0.56 0.93 -1.16 0.00 0.00 179.01 179.22 1f54 h GLU 7 N -0.26 0.68 0.16 2.33 3.07 -2.00 -2.22 114.58 116.34 1f54 h GLU 7 Ca -0.02 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1f54 h GLU 7 Cb 0.15 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 1f54 h GLU 7 CO 0.03 0.45 -0.17 0.37 -1.40 0.00 0.00 179.01 178.29 1f54 h GLN 8 N 0.70 -0.32 -1.17 2.33 5.75 -1.96 -1.56 115.11 118.88 1f54 h GLN 8 Ca 0.56 0.02 0.35 0.00 -0.15 0.00 0.00 58.65 59.43 1f54 h GLN 8 Cb 0.87 0.07 -0.12 0.00 1.07 0.00 0.00 27.48 29.38 1f54 h GLN 8 CO -0.39 -0.21 0.75 0.82 -2.65 0.00 0.00 178.83 177.14 1f54 h ILE 9 N -0.33 0.30 0.48 2.39 2.04 -1.03 -1.02 117.51 120.33 1f54 h ILE 9 Ca -0.02 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1f54 h ILE 9 Cb 0.29 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1f54 h ILE 9 CO -0.03 0.04 -0.33 0.00 0.00 0.00 0.00 178.15 177.83 1f54 h ALA 10 N 1.64 -1.11 -0.88 1.87 0.00 -0.71 -0.71 119.26 119.36 1f54 h ALA 10 Ca 0.72 -0.16 0.25 0.00 0.00 0.00 0.00 54.91 55.72 1f54 h ALA 10 Cb 2.05 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 20.29 1f54 h ALA 10 CO -0.39 -1.10 0.63 0.93 0.00 0.00 0.00 179.25 179.32 1f54 h GLU 11 N -0.77 0.01 -0.18 0.00 5.08 -0.60 0.17 114.58 118.28 1f54 h GLU 11 Ca -0.06 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1f54 h GLU 11 Cb 0.63 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1f54 h GLU 11 CO 0.04 0.01 -0.12 0.74 -1.00 0.00 0.00 179.01 178.67 1f54 h PHE 12 N 0.01 0.48 0.10 4.33 -1.00 -0.76 -2.65 116.94 117.45 1f54 h PHE 12 Ca 0.42 -0.13 0.01 0.00 2.81 0.00 0.00 57.97 61.08 1f54 h PHE 12 Cb 1.66 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 41.09 1f54 h PHE 12 CO -0.00 0.73 -0.19 -0.22 -1.61 0.00 0.00 178.31 177.03 1f54 h LYS 13 N 0.08 -0.34 -0.80 1.51 3.64 0.50 0.46 116.57 121.62 1f54 h LYS 13 Ca 0.04 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.58 1f54 h LYS 13 Cb 0.63 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.43 1f54 h LYS 13 CO 0.03 -0.23 0.38 1.49 -2.27 0.00 0.00 179.45 178.85 1f54 h GLU 14 N -0.36 0.53 0.00 1.90 4.81 -1.50 0.14 114.58 120.10 1f54 h GLU 14 Ca 0.03 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1f54 h GLU 14 Cb 0.38 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1f54 h GLU 14 CO -0.11 0.35 0.00 0.00 -0.73 0.00 0.00 179.01 178.52 1f54 n ALA 15 N -2.46 -0.29 -0.34 2.92 0.00 -0.76 -0.01 120.51 119.57 1f54 n ALA 15 Ca 0.16 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.61 1f54 n ALA 15 Cb 0.42 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.79 -0.37 0.00 3.57 -0.84 0.67 116.94 119.18 1f54 h PHE 16 Ca 0.00 0.09 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1f54 h PHE 16 Cb 0.00 0.49 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1f54 h PHE 16 CO 0.13 -0.40 -0.05 0.00 -2.23 0.00 0.00 178.31 175.76 1f54 h ALA 17 N 1.61 1.22 -1.04 2.41 0.00 -0.79 -2.57 119.26 120.11 1f54 h ALA 17 Ca 0.39 -0.25 0.30 0.00 0.00 0.00 0.00 54.91 55.35 1f54 h ALA 17 Cb 0.64 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1f54 h ALA 17 CO -0.95 0.51 0.98 1.25 0.00 0.00 0.00 179.25 181.04 1f54 h LEU 18 N 0.58 0.00 -0.85 0.00 6.46 0.42 0.69 115.31 122.60 1f54 h LEU 18 Ca 0.11 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.87 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 0.02 0.00 -0.08 0.49 -0.62 0.00 0.00 178.44 178.25 1f54 n PHE 19 N -3.64 0.00 -2.05 1.25 3.01 -1.00 -4.93 117.46 110.10 1f54 n PHE 19 Ca 0.23 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.34 1f54 n PHE 19 Cb 1.31 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.74 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 -0.81 5.23 0.35 4.37 2.15 0.24 -4.79 116.67 123.41 1f54 s ASP 20 Ca 0.06 -0.04 0.14 0.00 0.43 0.00 0.00 52.55 53.14 1f54 s ASP 20 Cb 0.05 -2.54 0.65 0.00 -0.30 0.00 0.00 42.92 40.78 1f54 s ASP 20 CO 0.12 -2.51 1.76 0.11 -0.17 0.00 0.00 175.17 174.48 1f54 h LYS 21 N 13.60 0.00 0.00 4.34 1.57 -1.84 -2.52 116.57 131.72 1f54 h LYS 21 Ca -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1f54 h LYS 21 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1f54 h LYS 21 CO 1.22 0.43 0.00 -0.44 -0.57 0.00 0.00 179.45 180.08 1f54 h ASP 22 N 0.00 0.00 -1.07 0.86 5.19 -1.87 -3.45 116.42 116.08 1f54 h ASP 22 Ca -0.00 0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 56.03 1f54 h ASP 22 Cb 0.82 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.18 1f54 h ASP 22 CO 0.06 0.00 -0.34 0.59 -3.12 0.00 0.00 179.24 176.42 1f54 n ASN 23 N -2.62 -5.01 -0.00 6.45 4.13 -0.95 -4.75 115.26 112.50 1f54 n ASN 23 Ca 0.00 0.46 0.03 0.00 1.68 0.00 0.00 54.58 56.75 1f54 n ASN 23 Cb 0.19 -4.43 -0.04 0.00 -1.54 0.00 0.00 39.78 33.95 1f54 n ASN 23 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1f54 n ASN 24 N -1.15 1.90 0.00 6.41 3.02 -1.26 -4.99 115.26 119.19 1f54 n ASN 24 Ca -0.19 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 1f54 n ASN 24 Cb 0.62 1.15 0.00 0.00 -0.61 0.00 0.00 39.78 40.93 1f54 n ASN 24 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1f54 n GLY 25 N 1.64 1.78 2.91 7.41 0.00 -1.26 -5.03 105.19 112.64 1f54 n GLY 25 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.05 0.20 1.61 1.04 -1.26 -1.11 113.70 112.14 1f54 s SER 26 Ca 0.00 0.11 0.03 0.00 0.48 0.00 0.00 55.95 56.57 1f54 s SER 26 Cb 0.00 0.10 -0.05 0.00 0.10 0.00 0.00 66.02 66.17 1f54 s SER 26 CO 0.00 -0.04 -0.00 0.27 0.98 0.00 0.00 173.24 174.45 1f54 s ILE 27 N 0.22 0.83 0.34 -1.02 -4.36 -0.50 -4.36 121.20 112.35 1f54 s ILE 27 Ca -0.02 -2.01 -0.16 0.00 -0.26 0.00 0.00 60.65 58.21 1f54 s ILE 27 Cb -0.02 -2.21 -0.09 0.00 1.25 0.00 0.00 42.46 41.38 1f54 s ILE 27 CO -0.01 -0.41 0.77 -0.55 0.24 0.00 0.00 174.94 174.98 1f54 s SER 28 N -3.23 6.79 0.18 4.36 0.15 -1.26 0.21 113.70 120.91 1f54 s SER 28 Ca 0.26 1.35 -0.24 0.00 0.70 0.00 0.00 55.95 58.01 1f54 s SER 28 Cb 0.06 -2.40 0.07 0.00 -1.71 0.00 0.00 66.02 62.04 1f54 s SER 28 CO 0.06 -0.24 1.56 -1.28 1.20 0.00 0.00 173.24 174.54 1f54 h SER 29 N 2.17 -1.57 -1.36 5.45 0.87 -1.85 1.05 113.55 118.31 1f54 h SER 29 Ca -0.48 0.27 0.40 0.00 -1.23 0.00 0.00 61.79 60.75 1f54 h SER 29 Cb 1.18 0.74 -0.08 0.00 -0.44 0.00 0.00 62.40 63.79 1f54 h SER 29 CO 0.65 -0.31 0.94 -1.28 -0.53 0.00 0.00 176.83 176.30 1f54 h SER 30 N -0.14 0.14 0.67 6.23 0.87 -1.93 0.75 113.55 120.14 1f54 h SER 30 Ca 0.22 0.05 -0.27 0.00 -1.23 0.00 0.00 61.79 60.56 1f54 h SER 30 Cb 0.55 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 1f54 h SER 30 CO -0.80 -0.03 -1.25 -0.33 -0.53 0.00 0.00 176.83 173.90 1f54 h GLU 31 N 0.09 0.22 -0.53 2.24 5.08 0.73 -3.32 114.58 119.09 1f54 h GLU 31 Ca 0.71 -0.37 0.05 0.00 -1.00 0.00 0.00 59.36 58.75 1f54 h GLU 31 Cb 2.52 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 31.86 1f54 h GLU 31 CO -0.15 1.15 0.25 1.25 -1.00 0.00 0.00 179.01 180.51 1f54 h LEU 32 N 0.06 0.34 -1.04 1.33 5.85 0.18 -1.10 115.31 120.92 1f54 h LEU 32 Ca -0.13 0.04 0.19 0.00 0.84 0.00 0.00 57.88 58.82 1f54 h LEU 32 Cb 1.94 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 42.85 1f54 h LEU 32 CO 0.18 0.23 0.61 0.00 -0.34 0.00 0.00 178.44 179.13 1f54 h ALA 33 N 1.30 1.70 0.17 1.25 0.00 -1.57 0.89 119.26 123.00 1f54 h ALA 33 Ca 0.24 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1f54 h ALA 33 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1f54 h ALA 33 CO -0.19 -0.07 -0.08 1.15 0.00 0.00 0.00 179.25 180.07 1f54 h THR 34 N 0.75 0.00 -1.31 0.00 2.02 -1.35 -2.47 112.91 110.55 1f54 h THR 34 Ca 0.57 -0.07 0.41 0.00 0.77 0.00 0.00 66.41 68.09 1f54 h THR 34 Cb 0.90 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.20 1f54 h THR 34 CO -0.36 0.00 0.87 -0.37 0.37 0.00 0.00 175.52 176.03 1f54 h VAL 35 N -0.29 0.22 0.91 3.16 -1.51 -1.18 0.18 116.25 117.73 1f54 h VAL 35 Ca -0.02 -0.04 -0.04 0.00 -1.23 0.00 0.00 66.70 65.36 1f54 h VAL 35 Cb 0.17 0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.41 1f54 h VAL 35 CO 0.04 0.02 -0.48 -0.03 -1.23 0.00 0.00 177.57 175.89 1f54 h MET 36 N 0.13 -1.23 0.00 5.19 4.05 -0.66 -2.24 114.93 120.18 1f54 h MET 36 Ca 0.76 0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 60.26 1f54 h MET 36 Cb 2.45 0.28 -0.00 0.00 -0.80 0.00 0.00 31.60 33.52 1f54 h MET 36 CO -0.32 -0.82 -0.02 -0.09 0.23 0.00 0.00 176.91 175.90 1f54 h ARG 37 N -1.27 0.00 -0.07 0.39 2.43 -0.51 -2.80 114.38 112.56 1f54 h ARG 37 Ca -0.12 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.95 1f54 h ARG 37 Cb 0.99 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1f54 h ARG 37 CO 0.17 0.02 -0.42 1.03 -1.51 0.00 0.00 179.97 179.26 1f54 h SER 38 N 0.00 0.15 -0.40 -3.80 0.87 -0.33 -3.06 113.55 106.97 1f54 h SER 38 Ca -0.00 -0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.41 1f54 h SER 38 Cb 0.47 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1f54 h SER 38 CO 0.00 0.56 -0.08 -0.07 -0.53 0.00 0.00 176.83 176.70 1f54 h LEU 39 N 0.12 0.77 0.00 2.23 3.38 -1.13 -3.46 115.31 117.23 1f54 h LEU 39 Ca 0.01 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1f54 h LEU 39 Cb 0.79 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1f54 h LEU 39 CO 0.06 0.95 0.00 0.61 0.09 0.00 0.00 178.44 180.15 1f54 n GLY 40 N -0.21 0.00 3.26 0.83 0.00 -1.16 -5.13 105.19 102.78 1f54 n GLY 40 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 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 1.52 -0.39 0.99 2.34 -1.23 -4.88 118.68 117.03 1f54 s LEU 41 Ca 0.00 -1.62 0.00 0.00 0.06 0.00 0.00 54.13 52.57 1f54 s LEU 41 Cb 0.00 0.51 0.19 0.00 -0.56 0.00 0.00 46.19 46.33 1f54 s LEU 41 CO 0.00 -0.99 0.84 -0.94 -1.06 0.00 0.00 176.35 174.21 1f54 s SER 42 N -3.29 -0.97 0.00 1.48 1.04 -1.26 -4.13 113.70 106.57 1f54 s SER 42 Ca 0.40 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1f54 s SER 42 Cb 0.04 1.24 0.00 0.00 0.10 0.00 0.00 66.02 67.40 1f54 s SER 42 CO 0.22 -0.09 0.00 -0.81 0.98 0.00 0.00 173.24 173.54 1f54 n PRO 43 N 3.72 1.12 -4.31 4.02 -0.04 -1.26 -5.09 135.00 133.16 1f54 n PRO 43 Ca 0.10 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.40 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 -1.40 2.05 0.11 3.54 0.01 -1.26 -5.01 113.70 111.73 1f54 s SER 44 Ca 0.00 -1.09 -0.24 0.00 1.31 0.00 0.00 55.95 55.93 1f54 s SER 44 Cb 0.00 -0.04 -0.07 0.00 0.21 0.00 0.00 66.02 66.12 1f54 s SER 44 CO 0.00 -0.35 1.40 -0.33 0.41 0.00 0.00 173.24 174.37 1f54 h GLU 45 N 2.60 -0.15 -0.85 12.44 5.08 -1.99 0.27 114.58 131.99 1f54 h GLU 45 Ca -0.38 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.20 1f54 h GLU 45 Cb 1.21 0.03 -0.15 0.00 0.50 0.00 0.00 28.75 30.34 1f54 h GLU 45 CO 0.64 -0.10 -0.02 0.00 -1.00 0.00 0.00 179.01 178.53 1f54 h ALA 46 N -0.14 0.88 -0.44 3.43 0.00 -1.99 1.14 119.26 122.12 1f54 h ALA 46 Ca 0.08 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1f54 h ALA 46 Cb 0.37 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1f54 h ALA 46 CO -0.56 -0.46 0.29 1.49 0.00 0.00 0.00 179.25 180.01 1f54 h GLU 47 N 0.07 0.59 -0.09 0.00 4.22 -0.96 -2.54 114.58 115.87 1f54 h GLU 47 Ca 0.47 -0.04 -0.10 0.00 0.08 0.00 0.00 59.36 59.78 1f54 h GLU 47 Cb 0.86 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1f54 h GLU 47 CO -0.78 0.40 -0.32 0.28 -2.18 0.00 0.00 179.01 176.41 1f54 h VAL 48 N 0.60 1.41 -0.52 0.32 2.07 0.32 0.50 116.25 120.95 1f54 h VAL 48 Ca 0.16 -1.68 0.10 0.00 0.82 0.00 0.00 66.70 66.11 1f54 h VAL 48 Cb -0.06 2.24 -0.09 0.00 -1.52 0.00 0.00 31.29 31.86 1f54 h VAL 48 CO -0.03 0.49 -0.04 -1.13 0.02 0.00 0.00 177.57 176.88 1f54 h ASN 49 N -0.09 -0.30 0.75 0.57 -0.73 -0.45 0.16 115.58 115.48 1f54 h ASN 49 Ca -0.01 0.14 -0.21 0.00 1.87 0.00 0.00 56.30 58.08 1f54 h ASN 49 Cb 0.95 0.25 -0.02 0.00 0.27 0.00 0.00 38.32 39.78 1f54 h ASN 49 CO 0.07 -0.11 -0.98 0.44 -0.37 0.00 0.00 177.43 176.48 1f54 h ASP 50 N 0.08 0.17 -0.82 1.15 5.19 -1.52 -1.98 116.42 118.69 1f54 h ASP 50 Ca 0.26 -0.16 -0.04 0.00 -0.62 0.00 0.00 57.03 56.47 1f54 h ASP 50 Cb 0.41 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.83 1f54 h ASP 50 CO -0.47 1.05 0.36 0.25 -3.12 0.00 0.00 179.24 177.30 1f54 h LEU 51 N 0.05 1.10 0.16 1.55 5.85 0.34 -2.05 115.31 122.32 1f54 h LEU 51 Ca -0.05 -0.16 -0.24 0.00 0.84 0.00 0.00 57.88 58.27 1f54 h LEU 51 Cb 1.67 -0.28 0.02 0.00 0.37 0.00 0.00 40.66 42.43 1f54 h LEU 51 CO 0.14 0.95 -1.13 -0.03 -0.34 0.00 0.00 178.44 178.04 1f54 h MET 52 N 1.18 0.34 -0.17 1.25 4.05 -0.79 -3.27 114.93 117.52 1f54 h MET 52 Ca 0.28 -0.58 0.05 0.00 -0.28 0.00 0.00 59.70 59.16 1f54 h MET 52 Cb 0.17 0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.18 1f54 h MET 52 CO -0.03 1.28 0.20 -0.91 0.23 0.00 0.00 176.91 177.68 1f54 h ASN 53 N -0.23 0.00 0.55 1.39 4.21 -1.30 2.18 115.58 122.38 1f54 h ASN 53 Ca -0.21 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.30 1f54 h ASN 53 Cb 1.80 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.00 1f54 h ASN 53 CO 0.16 0.00 -0.05 -0.62 -1.29 0.00 0.00 177.43 175.63 1f54 n GLU 54 N -3.74 0.44 0.00 0.81 1.02 -0.78 -4.31 120.64 114.09 1f54 n GLU 54 Ca 0.01 -0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1f54 n GLU 54 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 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 -1.22 0.00 -1.66 -3.67 3.06 0.14 -5.06 119.36 110.94 1f54 n ILE 55 Ca 0.13 0.00 -0.46 0.00 -2.50 0.00 0.00 62.75 59.92 1f54 n ILE 55 Cb 0.27 -0.46 -0.04 0.00 0.54 0.00 0.00 39.64 39.95 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 -2.19 2.83 -0.05 9.51 2.03 0.69 -4.88 116.55 124.49 1f54 n ASP 56 Ca 0.00 1.11 -0.06 0.00 0.52 0.00 0.00 54.79 56.36 1f54 n ASP 56 Cb 0.18 -1.41 -0.15 0.00 -0.72 0.00 0.00 41.12 39.03 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 2.71 1.23 0.00 5.18 3.14 -1.26 -4.80 118.33 124.53 1f54 n VAL 57 Ca 0.15 -0.78 0.00 0.00 -2.96 0.00 0.00 64.34 60.75 1f54 n VAL 57 Cb 0.29 -0.56 0.00 0.00 -1.06 0.00 0.00 33.84 32.52 1f54 n VAL 57 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1f54 n ASP 58 N -2.77 0.00 0.00 6.55 2.03 -1.26 -5.09 116.55 116.01 1f54 n ASP 58 Ca -0.23 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.08 1f54 n ASP 58 Cb 1.02 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.42 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 1.05 -1.97 2.75 0.27 0.00 -1.26 -4.99 105.19 101.04 1f54 n GLY 59 Ca 0.00 0.66 -0.36 0.00 0.00 0.00 0.00 46.02 46.32 1f54 n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1f54 n ASN 60 N 0.00 6.49 -4.67 1.61 3.02 -1.26 -4.73 115.26 115.73 1f54 n ASN 60 Ca 0.00 -3.74 -0.30 0.00 -0.03 0.00 0.00 54.58 50.51 1f54 n ASN 60 Cb 0.00 -0.92 0.16 0.00 -0.61 0.00 0.00 39.78 38.41 1f54 n ASN 60 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1f54 s HIS 61 N -3.99 1.81 -0.56 3.10 -3.43 -1.26 -4.81 115.29 106.15 1f54 s HIS 61 Ca 0.46 1.61 -0.20 0.00 -0.80 0.00 0.00 55.06 56.13 1f54 s HIS 61 Cb 0.31 -3.24 0.07 0.00 -1.43 0.00 0.00 32.58 28.30 1f54 s HIS 61 CO -0.23 -2.76 0.73 1.14 -2.00 0.00 0.00 174.74 171.62 1f54 s GLN 62 N -4.69 3.11 0.87 -0.38 0.00 -1.26 -3.62 119.66 113.69 1f54 s GLN 62 Ca 0.66 -0.98 -0.11 0.00 -0.00 0.00 0.00 55.36 54.92 1f54 s GLN 62 Cb -0.22 -4.17 0.11 0.00 0.00 0.00 0.00 33.01 28.74 1f54 s GLN 62 CO 0.59 -1.44 1.09 0.42 0.00 0.00 0.00 175.29 175.95 1f54 s ILE 63 N 2.95 2.79 -0.08 3.63 1.01 0.57 -4.76 121.20 127.31 1f54 s ILE 63 Ca 0.16 0.26 0.02 0.00 0.00 0.00 0.00 60.65 61.09 1f54 s ILE 63 Cb -0.20 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.53 1f54 s ILE 63 CO 0.10 -0.33 -0.13 -1.61 0.00 0.00 0.00 174.94 172.96 1f54 s GLU 64 N -4.94 1.92 0.40 2.79 2.02 -1.26 -1.41 118.70 118.21 1f54 s GLU 64 Ca 0.63 -0.47 0.24 0.00 0.02 0.00 0.00 54.97 55.38 1f54 s GLU 64 Cb -0.18 -1.61 1.31 0.00 0.10 0.00 0.00 34.13 33.75 1f54 s GLU 64 CO 0.57 -0.01 1.63 0.35 0.02 0.00 0.00 175.26 177.82 1f54 h PHE 65 N 7.17 0.70 0.00 1.61 3.57 -1.50 0.14 116.94 128.63 1f54 h PHE 65 Ca -0.30 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1f54 h PHE 65 Cb 1.18 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.75 1f54 h PHE 65 CO 0.48 -0.24 0.00 0.45 -2.23 0.00 0.00 178.31 176.77 1f54 n SER 66 N -4.90 0.00 -0.32 0.41 2.88 -1.26 -2.29 113.62 108.14 1f54 n SER 66 Ca 0.35 0.48 0.19 0.00 -1.33 0.00 0.00 58.87 58.56 1f54 n SER 66 Cb 1.26 0.00 0.39 0.00 -0.75 0.00 0.00 64.21 65.10 1f54 n SER 66 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1f54 h GLU 67 N 0.00 0.30 -0.54 -1.46 4.11 -1.88 0.22 114.58 115.32 1f54 h GLU 67 Ca 0.00 -0.02 0.06 0.00 0.07 0.00 0.00 59.36 59.47 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 -0.56 0.35 0.07 0.00 0.00 179.01 179.07 1f54 h PHE 68 N 0.31 -1.72 0.03 2.06 3.57 -0.70 -0.09 116.94 120.39 1f54 h PHE 68 Ca 0.65 0.09 -0.25 0.00 3.53 0.00 0.00 57.97 61.99 1f54 h PHE 68 Cb 1.39 0.82 0.01 0.00 2.79 0.00 0.00 35.95 40.96 1f54 h PHE 68 CO -0.11 -0.46 -1.04 -0.07 -2.23 0.00 0.00 178.31 174.39 1f54 h LEU 69 N -0.31 0.71 -1.85 0.59 4.07 -0.75 -0.87 115.31 116.90 1f54 h LEU 69 Ca 0.10 -0.59 0.13 0.00 0.08 0.00 0.00 57.88 57.59 1f54 h LEU 69 Cb 0.56 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 1f54 h LEU 69 CO -0.67 1.40 0.53 0.00 -1.08 0.00 0.00 178.44 178.61 1f54 h ALA 70 N 0.55 2.13 0.00 1.53 0.00 0.19 -2.08 119.26 121.57 1f54 h ALA 70 Ca -0.12 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.52 1f54 h ALA 70 Cb 1.69 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 1f54 h ALA 70 CO 0.19 -0.75 -1.99 1.28 0.00 0.00 0.00 179.25 177.98 1f54 n LEU 71 N -3.55 2.36 -0.10 0.00 4.32 -0.12 -4.44 117.00 115.46 1f54 n LEU 71 Ca 0.08 -0.07 0.26 0.00 -0.02 0.00 0.00 56.01 56.26 1f54 n LEU 71 Cb 0.70 -0.42 0.72 0.00 -1.62 0.00 0.00 43.42 42.80 1f54 n LEU 71 CO 0.25 0.70 1.24 0.24 -1.22 0.00 0.00 177.39 178.60 1f54 h MET 72 N 0.00 0.00 0.00 3.23 2.86 -0.48 0.30 114.93 120.84 1f54 h MET 72 Ca -0.39 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.25 1f54 h MET 72 Cb 1.66 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.32 1f54 h MET 72 CO -0.04 0.00 0.18 1.03 1.06 0.00 0.00 176.91 179.14 1f54 h SER 73 N 0.00 0.00 -0.07 1.22 0.87 -1.67 -0.75 113.55 113.15 1f54 h SER 73 Ca 0.36 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.94 1f54 h SER 73 Cb 1.60 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.56 1f54 h SER 73 CO -0.00 0.00 0.10 -0.09 -0.53 0.00 0.00 176.83 176.30 1f54 h ARG 74 N 0.00 0.00 -1.84 2.24 1.12 -0.71 -3.42 114.38 111.78 1f54 h ARG 74 Ca 0.00 0.00 0.04 0.00 -1.11 0.00 0.00 59.98 58.91 1f54 h ARG 74 Cb 0.36 0.00 -0.23 0.00 -0.01 0.00 0.00 29.97 30.09 1f54 h ARG 74 CO 0.00 0.00 0.16 1.14 -3.11 0.00 0.00 179.97 178.16 1f54 s GLN 75 N -4.55 0.61 -0.29 0.20 -2.07 -0.29 -5.16 119.66 108.12 1f54 s GLN 75 Ca -0.05 1.00 -0.15 0.00 -1.82 0.00 0.00 55.36 54.34 1f54 s GLN 75 Cb 0.15 0.15 0.13 0.00 -1.09 0.00 0.00 33.01 32.35 1f54 s GLN 75 CO 0.52 -0.12 0.89 -1.17 -1.32 0.00 0.00 175.29 174.09 1f54 s LEU 76 N 1.34 -0.67 0.00 2.60 0.20 -1.26 -4.94 118.68 115.95 1f54 s LEU 76 Ca -0.08 1.02 0.00 0.00 0.69 0.00 0.00 54.13 55.76 1f54 s LEU 76 Cb -0.05 1.91 0.00 0.00 -0.43 0.00 0.00 46.19 47.62 1f54 s LEU 76 CO -0.16 -0.16 0.45 1.17 -0.29 0.00 0.00 176.35 177.37