#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 -2.57 0.08 6.43 2.88 -1.26 -4.89 113.62 114.29 1f54 n SER 2 Ca 0.00 1.25 -0.15 0.00 -1.33 0.00 0.00 58.87 58.64 1f54 n SER 2 Cb 0.00 -4.37 -0.08 0.00 -0.75 0.00 0.00 64.21 59.02 1f54 n SER 2 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1f54 h ASN 3 N 4.27 0.56 0.00 -3.46 -0.73 -2.03 -3.49 115.58 110.70 1f54 h ASN 3 Ca -0.40 -0.48 0.00 0.00 1.87 0.00 0.00 56.30 57.28 1f54 h ASN 3 Cb 0.93 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 39.34 1f54 h ASN 3 CO 0.01 1.30 0.00 -0.11 -0.37 0.00 0.00 177.43 178.27 1f54 n LEU 4 N -3.71 0.00 0.00 0.34 7.94 -1.26 -4.95 117.00 115.36 1f54 n LEU 4 Ca -0.08 0.00 -0.15 0.00 -1.11 0.00 0.00 56.01 54.67 1f54 n LEU 4 Cb 0.89 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.81 1f54 n LEU 4 CO 0.53 0.00 0.14 0.41 -1.11 0.00 0.00 177.39 177.36 1f54 n THR 5 N -0.09 0.00 -0.16 1.96 -1.04 -1.26 -5.01 114.28 108.68 1f54 n THR 5 Ca 0.00 -1.80 -0.08 0.00 -2.04 0.00 0.00 64.05 60.13 1f54 n THR 5 Cb 0.00 1.09 0.01 0.00 -1.82 0.00 0.00 70.33 69.60 1f54 n THR 5 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1f54 h GLU 6 N 0.00 0.65 -0.74 -2.82 4.11 -2.03 -2.43 114.58 111.32 1f54 h GLU 6 Ca -0.26 -0.07 -0.03 0.00 0.07 0.00 0.00 59.36 59.06 1f54 h GLU 6 Cb 1.17 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1f54 h GLU 6 CO 0.36 0.51 0.35 0.93 0.07 0.00 0.00 179.01 181.23 1f54 h GLU 7 N 0.62 1.08 0.47 1.06 5.08 -1.99 -2.42 114.58 118.47 1f54 h GLU 7 Ca 0.16 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1f54 h GLU 7 Cb 0.04 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1f54 h GLU 7 CO -0.03 0.84 -0.44 0.37 -1.00 0.00 0.00 179.01 178.76 1f54 h GLN 8 N 1.05 -0.87 -0.91 2.33 5.75 -1.87 -0.65 115.11 119.94 1f54 h GLN 8 Ca 0.26 0.06 0.23 0.00 -0.15 0.00 0.00 58.65 59.04 1f54 h GLN 8 Cb 0.13 0.20 -0.06 0.00 1.07 0.00 0.00 27.48 28.82 1f54 h GLN 8 CO -0.03 -0.58 0.62 0.82 -2.65 0.00 0.00 178.83 177.01 1f54 h ILE 9 N -0.91 0.62 0.29 2.39 2.04 -1.34 -0.53 117.51 120.07 1f54 h ILE 9 Ca -0.05 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1f54 h ILE 9 Cb 0.79 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1f54 h ILE 9 CO -0.05 0.05 -0.14 0.00 0.00 0.00 0.00 178.15 178.01 1f54 h ALA 10 N 1.59 -0.85 -0.97 1.87 0.00 -0.65 -1.85 119.26 118.40 1f54 h ALA 10 Ca 0.46 -0.08 0.28 0.00 0.00 0.00 0.00 54.91 55.57 1f54 h ALA 10 Cb 1.40 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 1f54 h ALA 10 CO -0.12 -0.82 0.69 0.93 0.00 0.00 0.00 179.25 179.93 1f54 h GLU 11 N -0.48 0.04 -0.26 0.00 5.08 -0.78 0.12 114.58 118.30 1f54 h GLU 11 Ca -0.04 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1f54 h GLU 11 Cb 0.30 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1f54 h GLU 11 CO 0.06 0.03 0.03 0.74 -1.00 0.00 0.00 179.01 178.87 1f54 h PHE 12 N 0.04 0.46 -0.19 4.33 -1.00 -0.93 -2.45 116.94 117.21 1f54 h PHE 12 Ca 0.47 -0.07 0.02 0.00 2.81 0.00 0.00 57.97 61.21 1f54 h PHE 12 Cb 1.81 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 41.22 1f54 h PHE 12 CO -0.00 0.56 0.04 -0.22 -1.61 0.00 0.00 178.31 177.07 1f54 h LYS 13 N 0.23 0.11 -0.83 1.51 1.63 0.09 -0.00 116.57 119.30 1f54 h LYS 13 Ca 0.08 -0.01 0.12 0.00 -0.85 0.00 0.00 60.65 59.99 1f54 h LYS 13 Cb 0.35 -0.02 -0.06 0.00 -0.60 0.00 0.00 32.23 31.90 1f54 h LYS 13 CO 0.01 0.07 0.54 0.93 -3.45 0.00 0.00 179.45 177.55 1f54 h GLU 14 N 0.11 0.67 0.01 1.90 4.39 -1.40 0.25 114.58 120.51 1f54 h GLU 14 Ca 0.08 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 1f54 h GLU 14 Cb 0.08 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1f54 h GLU 14 CO -0.11 0.45 -0.00 0.00 -1.16 0.00 0.00 179.01 178.18 1f54 h ALA 15 N 1.60 -0.35 -0.91 3.43 0.00 -0.79 -0.47 119.26 121.77 1f54 h ALA 15 Ca 0.40 -0.00 0.21 0.00 0.00 0.00 0.00 54.91 55.52 1f54 h ALA 15 Cb 0.59 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.21 1f54 h ALA 15 CO -0.17 -0.35 -0.11 0.35 0.00 0.00 0.00 179.25 178.97 1f54 h PHE 16 N -0.02 -0.28 0.00 0.00 3.57 -0.99 1.45 116.94 120.68 1f54 h PHE 16 Ca -0.00 0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 1f54 h PHE 16 Cb 0.01 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1f54 h PHE 16 CO 0.08 -0.38 -0.22 0.00 -2.23 0.00 0.00 178.31 175.56 1f54 h ALA 17 N 1.90 1.09 0.00 2.41 0.00 -1.05 -2.67 119.26 120.94 1f54 h ALA 17 Ca 0.48 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1f54 h ALA 17 Cb 0.84 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1f54 h ALA 17 CO -0.89 0.28 0.03 1.25 0.00 0.00 0.00 179.25 179.93 1f54 h LEU 18 N 0.00 0.00 -2.65 0.00 6.46 0.38 -1.36 115.31 118.14 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 0.66 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 1f54 h LEU 18 CO 0.03 0.00 -0.02 0.49 -0.62 0.00 0.00 178.44 178.32 1f54 n PHE 19 N -2.78 0.00 -1.95 1.25 3.01 -1.02 -4.91 117.46 111.06 1f54 n PHE 19 Ca -0.02 -0.49 -0.40 0.00 1.01 0.00 0.00 57.45 57.55 1f54 n PHE 19 Cb 0.09 -0.06 -0.02 0.00 -0.01 0.00 0.00 39.48 39.47 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 -0.57 3.76 -0.19 4.37 5.75 -0.51 -4.77 116.55 124.38 1f54 n ASP 20 Ca 0.03 -2.80 -0.02 0.00 -0.01 0.00 0.00 54.79 51.99 1f54 n ASP 20 Cb 0.38 -1.59 0.05 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 7.66 -0.01 -0.29 0.11 3.64 -1.87 0.70 116.57 126.51 1f54 h LYS 21 Ca 0.43 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.89 1f54 h LYS 21 Cb 0.78 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1f54 h LYS 21 CO 1.63 -0.00 0.34 -0.44 -2.27 0.00 0.00 179.45 178.70 1f54 h ASP 22 N -0.01 0.00 -1.57 4.20 3.32 -1.86 -3.45 116.42 117.05 1f54 h ASP 22 Ca 0.28 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 57.03 1f54 h ASP 22 Cb 0.43 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 1f54 h ASP 22 CO -0.61 0.00 -0.34 -3.20 -1.72 0.00 0.00 179.24 173.37 1f54 n ASN 23 N -3.69 -4.59 -0.13 6.45 2.85 0.24 -4.85 115.26 111.55 1f54 n ASN 23 Ca 0.04 0.13 0.02 0.00 -0.11 0.00 0.00 54.58 54.66 1f54 n ASN 23 Cb 0.48 -3.61 0.01 0.00 1.24 0.00 0.00 39.78 37.90 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 -0.65 1.02 0.00 1.20 0.23 -1.26 -4.97 115.26 110.82 1f54 n ASN 24 Ca -0.16 -1.01 0.00 0.00 -0.53 0.00 0.00 54.58 52.87 1f54 n ASN 24 Cb 0.58 0.30 0.00 0.00 -2.08 0.00 0.00 39.78 38.58 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 0.51 1.86 3.02 4.83 0.00 -1.26 -5.05 105.19 109.09 1f54 n GLY 25 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 0.32 -0.01 1.61 1.04 -1.26 -2.22 113.70 111.18 1f54 s SER 26 Ca 0.00 -0.66 -0.08 0.00 0.48 0.00 0.00 55.95 55.69 1f54 s SER 26 Cb 0.00 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.26 1f54 s SER 26 CO 0.00 -0.40 0.16 0.27 0.98 0.00 0.00 173.24 174.25 1f54 s ILE 27 N -2.24 0.07 0.55 -1.02 -4.36 -0.23 -4.39 121.20 109.56 1f54 s ILE 27 Ca -0.09 -0.55 -0.19 0.00 -0.26 0.00 0.00 60.65 59.56 1f54 s ILE 27 Cb -0.04 -0.42 -0.06 0.00 1.25 0.00 0.00 42.46 43.19 1f54 s ILE 27 CO -0.04 -0.30 1.12 -0.55 0.24 0.00 0.00 174.94 175.42 1f54 s SER 28 N -1.11 5.71 0.28 4.36 0.15 -1.26 -0.04 113.70 121.79 1f54 s SER 28 Ca -0.12 2.15 -0.02 0.00 0.70 0.00 0.00 55.95 58.66 1f54 s SER 28 Cb -0.06 -2.58 0.60 0.00 -1.71 0.00 0.00 66.02 62.27 1f54 s SER 28 CO 0.02 -1.23 1.60 -1.28 1.20 0.00 0.00 173.24 173.55 1f54 h SER 29 N 1.14 -0.41 -0.89 5.45 0.87 -1.93 1.12 113.55 118.89 1f54 h SER 29 Ca -0.50 0.24 0.19 0.00 -1.23 0.00 0.00 61.79 60.50 1f54 h SER 29 Cb 1.26 0.42 -0.07 0.00 -0.44 0.00 0.00 62.40 63.57 1f54 h SER 29 CO 0.57 -0.26 0.59 -1.28 -0.53 0.00 0.00 176.83 175.91 1f54 h SER 30 N 0.07 0.45 0.31 6.23 0.87 -1.93 0.39 113.55 119.93 1f54 h SER 30 Ca 0.51 0.04 -0.23 0.00 -1.23 0.00 0.00 61.79 60.89 1f54 h SER 30 Cb 0.98 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1f54 h SER 30 CO -0.80 0.19 -0.94 -0.33 -0.53 0.00 0.00 176.83 174.41 1f54 h GLU 31 N 0.45 0.43 -0.31 2.24 5.08 0.94 -3.16 114.58 120.26 1f54 h GLU 31 Ca 0.47 -0.46 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1f54 h GLU 31 Cb 1.09 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 1f54 h GLU 31 CO -0.19 1.12 0.21 1.25 -1.00 0.00 0.00 179.01 180.40 1f54 h LEU 32 N 0.25 0.17 -0.38 1.33 5.85 -0.07 -1.69 115.31 120.76 1f54 h LEU 32 Ca -0.08 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1f54 h LEU 32 Cb 1.58 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.56 1f54 h LEU 32 CO 0.17 0.11 0.17 0.00 -0.34 0.00 0.00 178.44 178.55 1f54 h ALA 33 N 1.84 0.49 0.74 1.25 0.00 -1.43 -1.63 119.26 120.52 1f54 h ALA 33 Ca 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1f54 h ALA 33 Cb 0.30 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1f54 h ALA 33 CO -0.02 0.06 -0.36 1.15 0.00 0.00 0.00 179.25 180.08 1f54 h THR 34 N 0.47 0.00 -1.25 0.00 2.02 -1.42 -2.44 112.91 110.29 1f54 h THR 34 Ca 0.13 -0.09 0.37 0.00 0.77 0.00 0.00 66.41 67.59 1f54 h THR 34 Cb 0.14 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.45 1f54 h THR 34 CO -0.01 0.00 0.84 -0.37 0.37 0.00 0.00 175.52 176.34 1f54 h VAL 35 N -1.09 0.31 0.89 3.16 -1.51 -1.48 0.23 116.25 116.76 1f54 h VAL 35 Ca -0.10 -0.06 -0.04 0.00 -1.23 0.00 0.00 66.70 65.27 1f54 h VAL 35 Cb 0.77 0.12 0.01 0.00 -2.13 0.00 0.00 31.29 30.06 1f54 h VAL 35 CO 0.17 0.03 -0.44 -0.03 -1.23 0.00 0.00 177.57 176.07 1f54 h MET 36 N 0.17 -1.16 0.00 5.19 4.05 -0.82 -2.38 114.93 119.97 1f54 h MET 36 Ca 0.70 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 60.20 1f54 h MET 36 Cb 2.25 0.26 0.00 0.00 -0.80 0.00 0.00 31.60 33.31 1f54 h MET 36 CO -0.26 -0.78 0.00 0.00 0.23 0.00 0.00 176.91 176.10 1f54 h ARG 37 N -1.21 0.00 -0.23 0.39 3.08 -0.83 -2.91 114.38 112.67 1f54 h ARG 37 Ca -0.12 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.80 1f54 h ARG 37 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 1f54 h ARG 37 CO 0.20 0.00 -0.38 0.77 -1.07 0.00 0.00 179.97 179.48 1f54 h SER 38 N 0.00 0.55 0.15 7.04 0.02 -0.26 -2.79 113.55 118.25 1f54 h SER 38 Ca 0.00 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.69 1f54 h SER 38 Cb 0.45 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 1f54 h SER 38 CO 0.00 0.88 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.38 1f54 h LEU 39 N 0.43 0.00 0.00 5.07 3.38 -1.22 -3.45 115.31 119.52 1f54 h LEU 39 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1f54 h LEU 39 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1f54 h LEU 39 CO 0.07 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.33 1f54 n GLY 40 N -1.11 1.00 3.37 0.83 0.00 -1.06 -5.12 105.19 103.10 1f54 n GLY 40 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 1.82 -0.38 0.99 2.34 -1.23 -5.07 118.68 117.14 1f54 s LEU 41 Ca 0.00 -1.72 -0.01 0.00 0.06 0.00 0.00 54.13 52.46 1f54 s LEU 41 Cb 0.00 0.30 0.19 0.00 -0.56 0.00 0.00 46.19 46.12 1f54 s LEU 41 CO 0.00 -1.01 0.87 -0.44 -1.06 0.00 0.00 176.35 174.71 1f54 s SER 42 N -3.46 -0.87 0.00 1.48 0.01 -1.26 -4.12 113.70 105.48 1f54 s SER 42 Ca 0.34 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1f54 s SER 42 Cb 0.02 1.13 0.00 0.00 0.21 0.00 0.00 66.02 67.38 1f54 s SER 42 CO 0.22 -0.08 0.00 -0.81 0.41 0.00 0.00 173.24 172.98 1f54 n PRO 43 N 3.64 1.08 -4.33 12.44 -0.04 -1.26 -5.10 135.00 141.44 1f54 n PRO 43 Ca 0.10 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.39 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 -1.37 1.28 0.10 3.54 0.01 -1.26 -5.01 113.70 110.99 1f54 s SER 44 Ca 0.00 -1.41 -0.24 0.00 1.31 0.00 0.00 55.95 55.62 1f54 s SER 44 Cb 0.00 0.18 -0.07 0.00 0.21 0.00 0.00 66.02 66.34 1f54 s SER 44 CO 0.00 -0.75 1.40 -0.33 0.41 0.00 0.00 173.24 173.97 1f54 h GLU 45 N 2.35 -0.20 -0.80 12.44 4.39 -1.99 0.20 114.58 130.97 1f54 h GLU 45 Ca -0.38 0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.48 1f54 h GLU 45 Cb 1.25 0.04 -0.14 0.00 -0.10 0.00 0.00 28.75 29.80 1f54 h GLU 45 CO 0.60 -0.13 -0.31 0.00 -1.16 0.00 0.00 179.01 178.01 1f54 h ALA 46 N -0.24 0.23 -0.65 3.43 0.00 -2.00 1.12 119.26 121.15 1f54 h ALA 46 Ca 0.07 0.26 0.12 0.00 0.00 0.00 0.00 54.91 55.35 1f54 h ALA 46 Cb 0.40 0.80 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1f54 h ALA 46 CO -0.51 -0.56 0.44 1.49 0.00 0.00 0.00 179.25 180.11 1f54 h GLU 47 N -0.06 0.40 -0.07 0.00 4.57 -1.42 -1.94 114.58 116.06 1f54 h GLU 47 Ca 0.33 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.42 1f54 h GLU 47 Cb 0.59 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1f54 h GLU 47 CO -0.84 0.26 -0.21 0.28 -1.18 0.00 0.00 179.01 177.32 1f54 h VAL 48 N 0.41 1.42 -0.62 0.32 2.07 0.28 -1.51 116.25 118.62 1f54 h VAL 48 Ca 0.31 -1.57 0.13 0.00 0.82 0.00 0.00 66.70 66.38 1f54 h VAL 48 Cb 0.65 2.25 -0.10 0.00 -1.52 0.00 0.00 31.29 32.57 1f54 h VAL 48 CO -0.09 0.45 0.02 -1.13 0.02 0.00 0.00 177.57 176.84 1f54 h ASN 49 N -0.21 -0.24 -0.08 0.57 -1.24 -0.20 0.18 115.58 114.36 1f54 h ASN 49 Ca -0.01 0.15 -0.05 0.00 0.71 0.00 0.00 56.30 57.10 1f54 h ASN 49 Cb 0.83 0.26 0.00 0.00 0.73 0.00 0.00 38.32 40.14 1f54 h ASN 49 CO 0.05 -0.10 -0.15 0.44 -1.29 0.00 0.00 177.43 176.37 1f54 h ASP 50 N 0.13 0.28 -0.95 1.15 5.19 -1.52 -1.25 116.42 119.46 1f54 h ASP 50 Ca 0.33 -0.55 0.14 0.00 -0.62 0.00 0.00 57.03 56.32 1f54 h ASP 50 Cb 0.53 -0.08 -0.09 0.00 0.18 0.00 0.00 39.33 39.87 1f54 h ASP 50 CO -0.52 0.78 0.57 0.25 -3.12 0.00 0.00 179.24 177.20 1f54 h LEU 51 N -0.21 0.79 -0.00 1.55 5.85 -0.47 -2.03 115.31 120.78 1f54 h LEU 51 Ca 0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1f54 h LEU 51 Cb 0.73 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1f54 h LEU 51 CO 0.03 0.38 -0.03 0.24 -0.34 0.00 0.00 178.44 178.73 1f54 h MET 52 N 0.85 0.03 -0.57 1.25 2.86 -0.64 -3.12 114.93 115.59 1f54 h MET 52 Ca 0.49 -0.02 0.16 0.00 -2.06 0.00 0.00 59.70 58.27 1f54 h MET 52 Cb 0.58 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1f54 h MET 52 CO -0.30 0.73 0.66 -0.91 1.06 0.00 0.00 176.91 178.15 1f54 h ASN 53 N -0.67 0.00 0.25 1.22 2.35 -0.74 2.41 115.58 120.39 1f54 h ASN 53 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1f54 h ASN 53 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1f54 h ASN 53 CO 0.01 0.00 -0.07 -0.62 -1.65 0.00 0.00 177.43 175.10 1f54 n GLU 54 N -3.52 0.87 0.00 0.81 1.02 -0.81 -4.45 120.64 114.56 1f54 n GLU 54 Ca 0.11 -0.28 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1f54 n GLU 54 Cb 0.87 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 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 -0.82 0.00 -1.56 -3.67 3.06 0.55 -5.08 119.36 111.84 1f54 n ILE 55 Ca 0.17 0.00 -0.53 0.00 -2.50 0.00 0.00 62.75 59.89 1f54 n ILE 55 Cb 0.25 -0.32 -0.06 0.00 0.54 0.00 0.00 39.64 40.06 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 -2.16 1.15 0.00 9.51 2.03 0.68 -4.85 116.55 122.92 1f54 n ASP 56 Ca 0.00 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.44 1f54 n ASP 56 Cb 0.00 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 39.27 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 2.02 0.00 -2.66 5.18 3.14 -1.26 -4.80 118.33 119.95 1f54 n VAL 57 Ca 0.18 -0.41 -0.04 0.00 -2.96 0.00 0.00 64.34 61.10 1f54 n VAL 57 Cb 0.18 1.04 0.08 0.00 -1.06 0.00 0.00 33.84 34.08 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 -0.63 -1.23 0.00 6.55 -0.08 -1.26 -5.04 116.55 114.87 1f54 n ASP 58 Ca 0.00 -1.68 0.00 0.00 -1.51 0.00 0.00 54.79 51.60 1f54 n ASP 58 Cb 0.01 0.66 0.00 0.00 2.34 0.00 0.00 41.12 44.13 1f54 n ASP 58 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1f54 n GLY 59 N 1.55 0.27 3.97 0.27 0.00 -1.26 -4.60 105.19 105.40 1f54 n GLY 59 Ca 0.01 0.74 -0.20 0.00 0.00 0.00 0.00 46.02 46.58 1f54 n GLY 59 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1f54 s ASN 60 N -4.00 6.12 -0.15 1.61 -0.87 -1.26 -4.96 114.94 111.42 1f54 s ASN 60 Ca 0.00 -0.07 -0.34 0.00 -1.57 0.00 0.00 52.86 50.88 1f54 s ASN 60 Cb 0.00 -1.55 0.14 0.00 -0.02 0.00 0.00 41.25 39.82 1f54 s ASN 60 CO 0.00 -0.23 1.32 -1.38 -2.57 0.00 0.00 177.10 174.24 1f54 s HIS 61 N -2.08 -0.05 -0.51 2.20 -3.43 -1.26 -4.76 115.29 105.40 1f54 s HIS 61 Ca 0.39 0.01 -0.17 0.00 -0.80 0.00 0.00 55.06 54.49 1f54 s HIS 61 Cb -0.09 0.52 0.08 0.00 -1.43 0.00 0.00 32.58 31.66 1f54 s HIS 61 CO 0.30 -0.13 0.51 -0.65 -2.00 0.00 0.00 174.74 172.77 1f54 s GLN 62 N -2.24 3.02 0.62 -0.38 -0.21 -1.26 -3.64 119.66 115.57 1f54 s GLN 62 Ca 0.12 -1.30 -0.16 0.00 0.02 0.00 0.00 55.36 54.04 1f54 s GLN 62 Cb 0.02 -4.17 -0.02 0.00 1.00 0.00 0.00 33.01 29.84 1f54 s GLN 62 CO -0.04 -1.20 1.11 0.42 -2.12 0.00 0.00 175.29 173.46 1f54 s ILE 63 N 2.01 3.29 -0.11 1.08 1.01 0.95 -4.75 121.20 124.67 1f54 s ILE 63 Ca 0.08 0.65 0.03 0.00 0.00 0.00 0.00 60.65 61.41 1f54 s ILE 63 Cb -0.24 -3.18 -0.00 0.00 0.01 0.00 0.00 42.46 39.04 1f54 s ILE 63 CO 0.07 -0.32 -0.21 -1.61 0.00 0.00 0.00 174.94 172.88 1f54 s GLU 64 N -3.87 3.14 0.45 2.79 0.41 -1.26 -1.07 118.70 119.29 1f54 s GLU 64 Ca 0.68 -0.82 0.31 0.00 -0.41 0.00 0.00 54.97 54.73 1f54 s GLU 64 Cb -0.21 -2.41 1.44 0.00 -1.78 0.00 0.00 34.13 31.17 1f54 s GLU 64 CO 0.37 0.17 1.64 0.35 -0.49 0.00 0.00 175.26 177.29 1f54 h PHE 65 N 6.78 0.45 0.00 1.61 3.57 -1.83 0.88 116.94 128.40 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 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.85 1f54 h PHE 65 CO 0.48 -0.16 0.00 0.45 -2.23 0.00 0.00 178.31 176.85 1f54 n SER 66 N -4.59 0.00 -0.30 0.41 2.88 -1.26 -2.29 113.62 108.47 1f54 n SER 66 Ca 0.36 0.51 0.13 0.00 -1.33 0.00 0.00 58.87 58.55 1f54 n SER 66 Cb 1.44 -0.03 0.30 0.00 -0.75 0.00 0.00 64.21 65.17 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 0.39 -0.72 -1.46 4.11 -1.86 0.21 114.58 115.24 1f54 h GLU 67 Ca 0.00 -0.02 0.09 0.00 0.07 0.00 0.00 59.36 59.49 1f54 h GLU 67 Cb 0.00 -0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.05 1f54 h GLU 67 CO 0.00 0.26 -0.51 0.35 0.07 0.00 0.00 179.01 179.18 1f54 h PHE 68 N 0.40 -1.57 0.10 2.06 3.57 -0.84 0.16 116.94 120.83 1f54 h PHE 68 Ca 0.55 0.10 -0.27 0.00 3.53 0.00 0.00 57.97 61.88 1f54 h PHE 68 Cb 1.05 0.78 0.03 0.00 2.79 0.00 0.00 35.95 40.60 1f54 h PHE 68 CO -0.14 -0.42 -1.13 -0.07 -2.23 0.00 0.00 178.31 174.31 1f54 h LEU 69 N -0.17 0.82 -1.85 0.59 4.07 -0.82 -0.44 115.31 117.51 1f54 h LEU 69 Ca 0.17 -0.82 0.12 0.00 0.08 0.00 0.00 57.88 57.43 1f54 h LEU 69 Cb 0.53 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 1f54 h LEU 69 CO -0.78 1.56 0.53 0.00 -1.08 0.00 0.00 178.44 178.66 1f54 h ALA 70 N 0.28 2.12 0.00 1.53 0.00 0.23 -2.18 119.26 121.23 1f54 h ALA 70 Ca -0.17 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.42 1f54 h ALA 70 Cb 1.82 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.59 1f54 h ALA 70 CO 0.22 -0.75 -2.15 1.28 0.00 0.00 0.00 179.25 177.85 1f54 n LEU 71 N -3.54 2.83 -0.13 0.00 4.32 0.49 -4.41 117.00 116.56 1f54 n LEU 71 Ca 0.08 -0.07 0.28 0.00 -0.02 0.00 0.00 56.01 56.28 1f54 n LEU 71 Cb 0.70 -0.70 0.70 0.00 -1.62 0.00 0.00 43.42 42.51 1f54 n LEU 71 CO 0.25 0.80 1.25 0.24 -1.22 0.00 0.00 177.39 178.71 1f54 h MET 72 N -0.08 0.00 0.00 3.23 2.86 -0.46 0.29 114.93 120.76 1f54 h MET 72 Ca -0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 1f54 h MET 72 Cb 1.67 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.33 1f54 h MET 72 CO -0.10 0.00 0.33 0.66 1.06 0.00 0.00 176.91 178.87 1f54 h SER 73 N 0.00 0.00 0.16 1.22 4.64 -1.66 -2.69 113.55 115.22 1f54 h SER 73 Ca 0.39 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.71 1f54 h SER 73 Cb 1.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 1f54 h SER 73 CO -0.00 0.00 -0.08 0.03 -0.87 0.00 0.00 176.83 175.91 1f54 h ARG 74 N 0.00 -0.21 -5.21 4.77 3.08 -0.73 -3.44 114.38 112.65 1f54 h ARG 74 Ca 0.00 0.01 -0.67 0.00 0.07 0.00 0.00 59.98 59.40 1f54 h ARG 74 Cb 0.67 0.05 -0.31 0.00 0.08 0.00 0.00 29.97 30.46 1f54 h ARG 74 CO 0.00 -0.14 -0.81 -1.14 -1.07 0.00 0.00 179.97 176.81 1f54 s GLN 75 N -2.77 3.19 0.27 0.04 0.74 -1.01 -4.92 119.66 115.20 1f54 s GLN 75 Ca -0.03 -0.77 0.00 0.00 0.05 0.00 0.00 55.36 54.61 1f54 s GLN 75 Cb 0.00 -2.58 0.00 0.00 1.10 0.00 0.00 33.01 31.53 1f54 s GLN 75 CO 0.09 0.03 0.00 -0.11 -0.55 0.00 0.00 175.29 174.75 1f54 n LEU 76 N 4.01 -2.33 -0.73 3.68 0.00 -1.26 -4.88 117.00 115.49 1f54 n LEU 76 Ca -0.19 0.51 0.09 0.00 0.00 0.00 0.00 56.01 56.42 1f54 n LEU 76 Cb 0.52 2.37 0.08 0.00 0.00 0.00 0.00 43.42 46.38 1f54 n LEU 76 CO 0.28 -0.07 0.54 0.29 0.00 0.00 0.00 177.39 178.43