#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 -0.90 0.00 6.43 0.01 -1.26 -5.04 113.70 112.94 1f54 s SER 2 Ca 0.00 -0.56 0.00 0.00 1.31 0.00 0.00 55.95 56.70 1f54 s SER 2 Cb 0.00 1.16 0.00 0.00 0.21 0.00 0.00 66.02 67.39 1f54 s SER 2 CO 0.00 -0.09 0.00 -0.46 0.41 0.00 0.00 173.24 173.10 1f54 n ASN 3 N 3.81 0.00 -4.65 2.44 0.23 -1.26 -5.01 115.26 110.83 1f54 n ASN 3 Ca 0.09 -0.27 -0.31 0.00 -0.53 0.00 0.00 54.58 53.56 1f54 n ASN 3 Cb 0.60 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.22 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 2.40 0.00 -4.53 2.96 -1.26 -5.01 118.68 113.23 1f54 s LEU 4 Ca 0.00 -1.58 0.00 0.00 -0.22 0.00 0.00 54.13 52.33 1f54 s LEU 4 Cb 0.00 -0.69 0.00 0.00 0.50 0.00 0.00 46.19 46.00 1f54 s LEU 4 CO 0.00 -0.76 0.00 0.41 -1.32 0.00 0.00 176.35 174.68 1f54 n THR 5 N -1.13 0.00 0.15 3.68 -1.04 -1.26 -5.02 114.28 109.65 1f54 n THR 5 Ca -0.14 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.81 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 -0.91 -2.82 4.39 -2.01 -2.78 114.58 110.07 1f54 h GLU 6 Ca 0.00 0.03 0.24 0.00 0.34 0.00 0.00 59.36 59.96 1f54 h GLU 6 Cb 0.00 0.09 -0.16 0.00 -0.10 0.00 0.00 28.75 28.57 1f54 h GLU 6 CO 0.00 -0.25 0.04 0.93 -1.16 0.00 0.00 179.01 178.57 1f54 h GLU 7 N -0.57 0.06 0.18 2.33 5.08 -1.98 -0.21 114.58 119.46 1f54 h GLU 7 Ca -0.04 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1f54 h GLU 7 Cb 0.30 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1f54 h GLU 7 CO 0.07 0.04 -0.39 1.96 -1.00 0.00 0.00 179.01 179.68 1f54 h GLN 8 N 0.06 -0.60 -1.08 2.33 1.08 -1.95 0.25 115.11 115.19 1f54 h GLN 8 Ca 0.54 0.04 0.31 0.00 -1.45 0.00 0.00 58.65 58.09 1f54 h GLN 8 Cb 1.05 0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 28.58 1f54 h GLN 8 CO -0.82 -0.40 0.78 0.82 -0.95 0.00 0.00 178.83 178.26 1f54 h ILE 9 N -0.63 0.46 0.00 2.54 2.04 -0.79 0.34 117.51 121.48 1f54 h ILE 9 Ca -0.02 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1f54 h ILE 9 Cb 0.60 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1f54 h ILE 9 CO -0.16 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.99 1f54 n ALA 10 N -2.74 -0.06 -0.38 1.87 0.00 0.23 -2.10 120.51 117.34 1f54 n ALA 10 Ca 0.23 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.98 1f54 n ALA 10 Cb 1.14 0.00 0.62 0.00 0.00 0.00 0.00 19.45 21.20 1f54 n ALA 10 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1f54 h GLU 11 N 0.00 0.19 -0.39 0.00 5.08 -0.44 0.41 114.58 119.44 1f54 h GLU 11 Ca 0.00 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1f54 h GLU 11 Cb 0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1f54 h GLU 11 CO 0.00 0.13 0.08 0.74 -1.00 0.00 0.00 179.01 178.96 1f54 h PHE 12 N 0.20 0.68 0.09 4.33 -1.00 -0.42 -2.60 116.94 118.21 1f54 h PHE 12 Ca 0.67 -0.09 0.01 0.00 2.81 0.00 0.00 57.97 61.37 1f54 h PHE 12 Cb 2.09 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 41.44 1f54 h PHE 12 CO -0.00 0.67 -0.15 -0.22 -1.61 0.00 0.00 178.31 176.99 1f54 h LYS 13 N 0.49 -0.29 -0.99 1.51 3.11 0.38 0.60 116.57 121.39 1f54 h LYS 13 Ca 0.12 0.02 0.18 0.00 -2.81 0.00 0.00 60.65 58.16 1f54 h LYS 13 Cb 0.34 0.07 -0.10 0.00 -1.00 0.00 0.00 32.23 31.54 1f54 h LYS 13 CO 0.01 -0.19 0.60 1.49 -2.81 0.00 0.00 179.45 178.54 1f54 h GLU 14 N -0.30 0.76 0.00 1.90 4.81 -1.40 0.18 114.58 120.53 1f54 h GLU 14 Ca 0.02 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1f54 h GLU 14 Cb 0.32 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1f54 h GLU 14 CO -0.09 0.50 -0.00 0.00 -0.73 0.00 0.00 179.01 178.69 1f54 h ALA 15 N 1.62 -0.49 -0.89 2.92 0.00 -0.93 0.03 119.26 121.53 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 0.82 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.44 1f54 h ALA 15 CO -0.37 -0.49 -0.15 0.35 0.00 0.00 0.00 179.25 178.59 1f54 h PHE 16 N -0.00 -0.35 0.00 0.00 3.57 -0.79 1.43 116.94 120.81 1f54 h PHE 16 Ca -0.00 0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1f54 h PHE 16 Cb 0.00 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1f54 h PHE 16 CO 0.11 -0.37 -0.19 0.00 -2.23 0.00 0.00 178.31 175.63 1f54 h ALA 17 N 1.89 1.14 -0.04 2.41 0.00 -0.73 -2.63 119.26 121.30 1f54 h ALA 17 Ca 0.46 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1f54 h ALA 17 Cb 0.76 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1f54 h ALA 17 CO -0.89 0.24 0.08 1.25 0.00 0.00 0.00 179.25 179.93 1f54 h LEU 18 N 0.00 0.00 -3.06 0.00 6.46 0.40 -0.99 115.31 118.13 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 0.56 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 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 -3.49 0.24 -2.47 1.25 3.01 -1.00 -4.92 117.46 110.08 1f54 n PHE 19 Ca -0.02 -0.89 -0.39 0.00 1.01 0.00 0.00 57.45 57.16 1f54 n PHE 19 Cb 0.16 -0.17 -0.02 0.00 -0.01 0.00 0.00 39.48 39.44 1f54 n PHE 19 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1f54 s ASP 20 N -2.34 6.36 0.16 4.37 -4.77 -0.38 -4.72 116.67 115.35 1f54 s ASP 20 Ca 0.30 -1.72 -0.23 0.00 -3.30 0.00 0.00 52.55 47.60 1f54 s ASP 20 Cb 0.25 -2.57 0.05 0.00 -1.09 0.00 0.00 42.92 39.56 1f54 s ASP 20 CO 0.05 -1.65 1.60 0.11 0.70 0.00 0.00 175.17 175.98 1f54 h LYS 21 N 9.21 -0.25 0.00 2.11 1.57 -1.88 0.56 116.57 127.89 1f54 h LYS 21 Ca 0.27 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1f54 h LYS 21 Cb 0.96 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1f54 h LYS 21 CO 1.40 -0.16 0.00 -0.44 -0.57 0.00 0.00 179.45 179.68 1f54 h ASP 22 N -0.26 0.00 -0.94 0.86 5.19 -1.88 -3.45 116.42 115.94 1f54 h ASP 22 Ca 0.17 0.00 -0.41 0.00 -0.62 0.00 0.00 57.03 56.17 1f54 h ASP 22 Cb 0.53 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 39.88 1f54 h ASP 22 CO -0.51 0.00 -0.37 0.59 -3.12 0.00 0.00 179.24 175.83 1f54 n ASN 23 N -2.36 -5.48 -0.85 6.45 3.02 0.20 -4.80 115.26 111.43 1f54 n ASN 23 Ca 0.01 0.49 0.12 0.00 -0.03 0.00 0.00 54.58 55.17 1f54 n ASN 23 Cb 0.19 -4.73 0.13 0.00 -0.61 0.00 0.00 39.78 34.75 1f54 n ASN 23 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1f54 n ASN 24 N -1.29 2.73 0.00 6.41 0.23 -1.26 -4.92 115.26 117.16 1f54 n ASN 24 Ca -0.20 -1.88 0.00 0.00 -0.53 0.00 0.00 54.58 51.97 1f54 n ASN 24 Cb 0.67 0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.43 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 1.34 1.63 2.89 4.83 0.00 -1.26 -5.06 105.19 109.56 1f54 n GLY 25 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.02 0.25 1.61 1.04 -1.26 -2.42 113.70 110.90 1f54 s SER 26 Ca 0.00 0.05 0.05 0.00 0.48 0.00 0.00 55.95 56.53 1f54 s SER 26 Cb 0.00 0.05 -0.05 0.00 0.10 0.00 0.00 66.02 66.11 1f54 s SER 26 CO 0.00 -0.01 -0.04 0.27 0.98 0.00 0.00 173.24 174.43 1f54 s ILE 27 N 0.05 1.37 0.33 -1.02 -4.36 0.20 -4.34 121.20 113.42 1f54 s ILE 27 Ca -0.00 -2.09 -0.12 0.00 -0.26 0.00 0.00 60.65 58.18 1f54 s ILE 27 Cb -0.01 -2.35 -0.08 0.00 1.25 0.00 0.00 42.46 41.28 1f54 s ILE 27 CO -0.00 -0.36 0.70 -0.55 0.24 0.00 0.00 174.94 174.97 1f54 s SER 28 N -3.36 6.66 0.23 4.36 0.15 -1.26 0.21 113.70 120.68 1f54 s SER 28 Ca 0.28 1.14 -0.10 0.00 0.70 0.00 0.00 55.95 57.97 1f54 s SER 28 Cb 0.04 -2.32 0.34 0.00 -1.71 0.00 0.00 66.02 62.38 1f54 s SER 28 CO 0.10 -0.23 1.62 0.77 1.20 0.00 0.00 173.24 176.69 1f54 h SER 29 N 2.00 -0.52 -0.75 5.45 4.64 -1.91 0.86 113.55 123.31 1f54 h SER 29 Ca -0.47 0.20 0.22 0.00 -0.47 0.00 0.00 61.79 61.27 1f54 h SER 29 Cb 1.18 0.39 -0.03 0.00 -0.31 0.00 0.00 62.40 63.63 1f54 h SER 29 CO 0.66 -0.21 0.57 -1.28 -0.87 0.00 0.00 176.83 175.70 1f54 h SER 30 N 0.04 0.00 0.58 4.97 0.87 -1.93 0.11 113.55 118.20 1f54 h SER 30 Ca 0.37 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.65 1f54 h SER 30 Cb 0.60 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.52 1f54 h SER 30 CO -0.69 0.00 -1.54 -0.33 -0.53 0.00 0.00 176.83 173.74 1f54 h GLU 31 N 0.00 0.04 -0.84 2.24 3.07 0.31 -3.34 114.58 116.07 1f54 h GLU 31 Ca 0.36 -0.07 0.08 0.00 -0.50 0.00 0.00 59.36 59.22 1f54 h GLU 31 Cb 1.50 0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 29.38 1f54 h GLU 31 CO -0.00 0.72 0.55 1.25 -1.40 0.00 0.00 179.01 180.13 1f54 h LEU 32 N 0.01 0.78 -0.98 1.33 5.85 0.83 -0.83 115.31 122.30 1f54 h LEU 32 Ca -0.22 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.54 1f54 h LEU 32 Cb 1.96 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.78 1f54 h LEU 32 CO 0.10 0.48 0.64 0.00 -0.34 0.00 0.00 178.44 179.33 1f54 h ALA 33 N 1.56 1.28 0.46 1.25 0.00 -1.62 -1.26 119.26 120.93 1f54 h ALA 33 Ca 0.37 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1f54 h ALA 33 Cb 0.31 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1f54 h ALA 33 CO -0.14 0.56 -0.22 1.15 0.00 0.00 0.00 179.25 180.60 1f54 h THR 34 N 1.27 0.00 -1.36 0.00 2.02 -1.33 -2.64 112.91 110.88 1f54 h THR 34 Ca 0.38 -0.12 0.40 0.00 0.77 0.00 0.00 66.41 67.84 1f54 h THR 34 Cb -0.05 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.28 1f54 h THR 34 CO -0.11 0.00 0.94 -0.37 0.37 0.00 0.00 175.52 176.35 1f54 h VAL 35 N -0.74 0.28 0.92 3.16 -1.51 -1.39 0.16 116.25 117.13 1f54 h VAL 35 Ca -0.06 -0.03 -0.05 0.00 -1.23 0.00 0.00 66.70 65.33 1f54 h VAL 35 Cb 0.48 0.19 0.01 0.00 -2.13 0.00 0.00 31.29 29.83 1f54 h VAL 35 CO 0.10 0.02 -0.44 -0.03 -1.23 0.00 0.00 177.57 175.99 1f54 h MET 36 N 0.09 -1.19 0.00 5.19 4.05 -0.89 -2.41 114.93 119.77 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 2.51 0.27 0.00 0.00 -0.80 0.00 0.00 31.60 33.58 1f54 h MET 36 CO -0.15 -0.79 0.00 -0.09 0.23 0.00 0.00 176.91 176.11 1f54 h ARG 37 N -1.24 0.00 -0.25 0.39 2.43 -0.80 -2.97 114.38 111.93 1f54 h ARG 37 Ca -0.13 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.94 1f54 h ARG 37 Cb 0.95 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 1f54 h ARG 37 CO 0.21 0.00 -0.27 0.77 -1.51 0.00 0.00 179.97 179.16 1f54 h SER 38 N 0.00 0.50 0.14 -3.80 0.02 -0.49 -2.60 113.55 107.32 1f54 h SER 38 Ca 0.00 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1f54 h SER 38 Cb 0.54 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 1f54 h SER 38 CO 0.00 0.76 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.30 1f54 h LEU 39 N 0.43 0.00 0.00 5.07 3.38 -1.27 -3.45 115.31 119.48 1f54 h LEU 39 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1f54 h LEU 39 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1f54 h LEU 39 CO 0.05 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.27 1f54 n GLY 40 N -1.13 0.92 3.35 0.83 0.00 -0.98 -5.12 105.19 103.06 1f54 n GLY 40 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 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 1.75 -0.39 0.99 2.34 -1.20 -5.07 118.68 117.10 1f54 s LEU 41 Ca 0.00 -1.67 0.00 0.00 0.06 0.00 0.00 54.13 52.53 1f54 s LEU 41 Cb 0.00 0.29 0.19 0.00 -0.56 0.00 0.00 46.19 46.11 1f54 s LEU 41 CO 0.00 -0.97 0.85 -0.55 -1.06 0.00 0.00 176.35 174.61 1f54 s SER 42 N -3.42 -0.96 0.00 1.48 0.15 -1.26 -4.14 113.70 105.55 1f54 s SER 42 Ca 0.35 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1f54 s SER 42 Cb 0.03 1.24 0.00 0.00 -1.71 0.00 0.00 66.02 65.58 1f54 s SER 42 CO 0.21 -0.09 0.00 -0.81 1.20 0.00 0.00 173.24 173.75 1f54 n PRO 43 N 3.72 1.08 -4.39 5.44 -0.04 -1.26 -5.09 135.00 134.46 1f54 n PRO 43 Ca 0.10 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 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 2.43 0.08 3.54 0.01 -1.26 -5.01 113.70 112.10 1f54 s SER 44 Ca 0.00 -1.20 -0.19 0.00 1.31 0.00 0.00 55.95 55.87 1f54 s SER 44 Cb 0.00 -0.10 -0.05 0.00 0.21 0.00 0.00 66.02 66.07 1f54 s SER 44 CO 0.00 -0.41 1.32 -0.33 0.41 0.00 0.00 173.24 174.23 1f54 h GLU 45 N 2.34 -0.13 -0.85 12.44 4.39 -1.98 0.16 114.58 130.95 1f54 h GLU 45 Ca -0.39 0.01 0.18 0.00 0.34 0.00 0.00 59.36 59.50 1f54 h GLU 45 Cb 1.23 0.03 -0.16 0.00 -0.10 0.00 0.00 28.75 29.75 1f54 h GLU 45 CO 0.66 -0.09 -0.15 0.00 -1.16 0.00 0.00 179.01 178.28 1f54 h ALA 46 N -0.36 0.67 -0.37 3.43 0.00 -1.99 1.25 119.26 121.88 1f54 h ALA 46 Ca 0.07 0.32 0.01 0.00 0.00 0.00 0.00 54.91 55.30 1f54 h ALA 46 Cb 0.30 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1f54 h ALA 46 CO -0.44 -0.42 0.25 1.49 0.00 0.00 0.00 179.25 180.12 1f54 h GLU 47 N 0.02 0.46 -0.11 0.00 4.57 -1.20 -2.36 114.58 115.96 1f54 h GLU 47 Ca 0.43 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.46 1f54 h GLU 47 Cb 0.71 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1f54 h GLU 47 CO -0.85 0.31 -0.43 0.28 -1.18 0.00 0.00 179.01 177.13 1f54 h VAL 48 N 0.48 1.37 -0.46 0.32 2.07 0.37 -2.02 116.25 118.39 1f54 h VAL 48 Ca 0.14 -1.76 0.08 0.00 0.82 0.00 0.00 66.70 65.98 1f54 h VAL 48 Cb -0.02 2.16 -0.07 0.00 -1.52 0.00 0.00 31.29 31.85 1f54 h VAL 48 CO -0.03 0.52 0.07 -1.13 0.02 0.00 0.00 177.57 177.02 1f54 h ASN 49 N 0.08 -0.05 -0.33 0.57 -1.24 -0.35 -0.77 115.58 113.49 1f54 h ASN 49 Ca -0.02 0.09 -0.10 0.00 0.71 0.00 0.00 56.30 56.98 1f54 h ASN 49 Cb 1.07 0.13 -0.01 0.00 0.73 0.00 0.00 38.32 40.24 1f54 h ASN 49 CO 0.09 0.01 -0.17 -0.78 -1.29 0.00 0.00 177.43 175.29 1f54 h ASP 50 N 0.19 0.72 -0.43 1.15 1.82 -1.51 0.32 116.42 118.69 1f54 h ASP 50 Ca 0.23 -0.41 0.07 0.00 -0.39 0.00 0.00 57.03 56.53 1f54 h ASP 50 Cb 0.30 -0.20 -0.06 0.00 0.68 0.00 0.00 39.33 40.05 1f54 h ASP 50 CO -0.32 0.97 0.07 -0.07 -1.61 0.00 0.00 179.24 178.29 1f54 h LEU 51 N 0.47 -0.02 0.15 2.28 3.38 -0.69 -0.78 115.31 120.11 1f54 h LEU 51 Ca 0.07 0.08 -0.31 0.00 0.09 0.00 0.00 57.88 57.81 1f54 h LEU 51 Cb 0.70 0.11 0.03 0.00 0.09 0.00 0.00 40.66 41.59 1f54 h LEU 51 CO 0.05 0.02 -1.31 0.24 0.09 0.00 0.00 178.44 177.53 1f54 h MET 52 N 0.20 0.60 -0.01 1.13 2.86 -1.12 -3.18 114.93 115.41 1f54 h MET 52 Ca 0.21 -0.85 0.00 0.00 -2.06 0.00 0.00 59.70 57.00 1f54 h MET 52 Cb 0.27 0.29 -0.00 0.00 0.06 0.00 0.00 31.60 32.22 1f54 h MET 52 CO -0.28 1.39 0.08 -0.91 1.06 0.00 0.00 176.91 178.25 1f54 h ASN 53 N 0.24 0.00 0.15 1.22 2.35 0.01 1.90 115.58 121.45 1f54 h ASN 53 Ca -0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.54 1f54 h ASN 53 Cb 1.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.36 1f54 h ASN 53 CO 0.25 0.00 -0.14 -0.62 -1.65 0.00 0.00 177.43 175.27 1f54 n GLU 54 N -3.09 1.12 0.00 0.81 -0.58 -0.33 -4.46 120.64 114.11 1f54 n GLU 54 Ca -0.03 -0.61 0.00 0.00 -0.42 0.00 0.00 57.16 56.10 1f54 n GLU 54 Cb 0.15 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.53 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 -0.40 0.00 -1.68 -3.67 3.06 0.94 -5.05 119.36 112.55 1f54 n ILE 55 Ca 0.15 0.00 -0.46 0.00 -2.50 0.00 0.00 62.75 59.95 1f54 n ILE 55 Cb 0.33 -0.24 -0.04 0.00 0.54 0.00 0.00 39.64 40.24 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 -1.90 3.50 0.07 9.51 2.03 0.61 -4.87 116.55 125.49 1f54 n ASP 56 Ca 0.00 1.02 -0.15 0.00 0.52 0.00 0.00 54.79 56.18 1f54 n ASP 56 Cb 0.10 -1.45 -0.14 0.00 -0.72 0.00 0.00 41.12 38.91 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 4.50 1.25 0.00 5.18 2.07 -1.86 -3.45 116.25 123.93 1f54 h VAL 57 Ca -0.46 -2.89 0.00 0.00 0.82 0.00 0.00 66.70 64.17 1f54 h VAL 57 Cb 1.25 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.81 1f54 h VAL 57 CO 0.93 0.83 0.00 -0.90 0.02 0.00 0.00 177.57 178.44 1f54 n ASP 58 N -3.44 0.00 0.00 0.57 5.75 -1.26 -5.04 116.55 113.12 1f54 n ASP 58 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.64 1f54 n ASP 58 Cb 1.03 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.12 1f54 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1f54 n GLY 59 N 0.64 0.51 3.19 6.12 0.00 -1.26 -5.14 105.19 109.26 1f54 n GLY 59 Ca 0.00 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 2.04 -0.05 1.61 0.01 -1.26 -4.91 114.94 112.39 1f54 s ASN 60 Ca 0.00 -0.49 -0.31 0.00 -0.71 0.00 0.00 52.86 51.35 1f54 s ASN 60 Cb 0.00 -0.15 0.13 0.00 0.41 0.00 0.00 41.25 41.63 1f54 s ASN 60 CO 0.00 0.09 1.34 -1.38 -1.51 0.00 0.00 177.10 175.65 1f54 s HIS 61 N -0.82 -0.02 -0.45 2.20 -3.43 -1.26 -4.78 115.29 106.73 1f54 s HIS 61 Ca 0.04 -0.05 -0.11 0.00 -0.80 0.00 0.00 55.06 54.14 1f54 s HIS 61 Cb -0.08 0.53 0.09 0.00 -1.43 0.00 0.00 32.58 31.69 1f54 s HIS 61 CO 0.01 -0.18 0.33 -0.65 -2.00 0.00 0.00 174.74 172.25 1f54 s GLN 62 N -2.23 2.71 0.53 -0.38 -0.21 -1.26 -3.96 119.66 114.85 1f54 s GLN 62 Ca 0.17 -1.50 -0.20 0.00 0.02 0.00 0.00 55.36 53.85 1f54 s GLN 62 Cb 0.05 -3.93 -0.06 0.00 1.00 0.00 0.00 33.01 30.07 1f54 s GLN 62 CO -0.04 -1.04 1.13 0.42 -2.12 0.00 0.00 175.29 173.63 1f54 s ILE 63 N 1.48 3.20 -0.14 1.08 1.01 0.55 -4.75 121.20 123.64 1f54 s ILE 63 Ca 0.04 0.77 -0.02 0.00 0.00 0.00 0.00 60.65 61.44 1f54 s ILE 63 Cb -0.24 -3.32 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 1f54 s ILE 63 CO 0.03 -0.14 -0.09 -1.61 0.00 0.00 0.00 174.94 173.13 1f54 s GLU 64 N -3.20 3.47 0.46 2.79 2.02 -1.26 -0.63 118.70 122.34 1f54 s GLU 64 Ca 0.71 -0.61 0.32 0.00 0.02 0.00 0.00 54.97 55.42 1f54 s GLU 64 Cb -0.24 -2.75 1.45 0.00 0.10 0.00 0.00 34.13 32.69 1f54 s GLU 64 CO 0.27 0.26 1.64 0.35 0.02 0.00 0.00 175.26 177.80 1f54 h PHE 65 N 6.61 0.43 0.00 1.61 3.57 -1.87 0.12 116.94 127.40 1f54 h PHE 65 Ca -0.29 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.23 1f54 h PHE 65 Cb 1.20 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.83 1f54 h PHE 65 CO 0.52 -0.15 0.00 0.43 -2.23 0.00 0.00 178.31 176.88 1f54 n SER 66 N -4.56 0.00 -0.32 0.41 7.64 -1.26 -2.51 113.62 113.02 1f54 n SER 66 Ca 0.36 0.30 0.21 0.00 1.01 0.00 0.00 58.87 60.76 1f54 n SER 66 Cb 1.45 0.00 0.42 0.00 -1.01 0.00 0.00 64.21 65.08 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 0.19 -0.61 1.43 -0.00 -1.91 -0.05 114.58 113.62 1f54 h GLU 67 Ca 0.00 -0.01 0.06 0.00 -0.00 0.00 0.00 59.36 59.41 1f54 h GLU 67 Cb 0.00 -0.04 -0.09 0.00 -0.00 0.00 0.00 28.75 28.62 1f54 h GLU 67 CO 0.00 0.13 -0.52 0.35 -0.00 0.00 0.00 179.01 178.97 1f54 h PHE 68 N 0.20 -1.62 -0.01 2.06 3.57 -0.99 0.92 116.94 121.06 1f54 h PHE 68 Ca 0.69 0.09 -0.02 0.00 3.53 0.00 0.00 57.97 62.27 1f54 h PHE 68 Cb 1.57 0.79 0.00 0.00 2.79 0.00 0.00 35.95 41.10 1f54 h PHE 68 CO -0.14 -0.39 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.42 1f54 h LEU 69 N -0.19 0.07 -1.49 0.59 4.07 -0.81 -0.60 115.31 116.95 1f54 h LEU 69 Ca 0.10 -0.67 0.30 0.00 0.08 0.00 0.00 57.88 57.69 1f54 h LEU 69 Cb 0.46 -0.02 -0.04 0.00 1.08 0.00 0.00 40.66 42.14 1f54 h LEU 69 CO -0.68 0.74 1.04 0.00 -1.08 0.00 0.00 178.44 178.46 1f54 h ALA 70 N 0.34 2.93 0.00 1.53 0.00 -0.65 0.53 119.26 123.94 1f54 h ALA 70 Ca -0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 54.91 54.52 1f54 h ALA 70 Cb 0.73 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 1f54 h ALA 70 CO 0.01 -1.58 -2.33 1.28 0.00 0.00 0.00 179.25 176.63 1f54 n LEU 71 N -3.53 0.39 0.25 0.00 4.77 0.28 -4.31 117.00 114.84 1f54 n LEU 71 Ca 0.23 -0.02 0.09 0.00 -0.03 0.00 0.00 56.01 56.28 1f54 n LEU 71 Cb 1.37 0.30 0.64 0.00 -2.33 0.00 0.00 43.42 43.41 1f54 n LEU 71 CO 0.29 0.53 0.98 -0.03 -1.33 0.00 0.00 177.39 177.83 1f54 h MET 72 N 0.00 0.00 0.00 3.23 4.05 0.17 -1.30 114.93 121.07 1f54 h MET 72 Ca -0.52 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.90 1f54 h MET 72 Cb 2.14 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.94 1f54 h MET 72 CO 0.01 0.12 0.00 0.43 0.23 0.00 0.00 176.91 177.70 1f54 n SER 73 N -4.10 0.21 0.09 1.39 7.64 -0.51 -0.38 113.62 117.96 1f54 n SER 73 Ca -0.02 0.59 -0.15 0.00 1.01 0.00 0.00 58.87 60.29 1f54 n SER 73 Cb 0.20 -0.62 -0.10 0.00 -1.01 0.00 0.00 64.21 62.68 1f54 n SER 73 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1f54 h ARG 74 N 0.00 0.33 0.00 1.43 2.43 -1.50 -3.35 114.38 113.73 1f54 h ARG 74 Ca 0.00 -0.46 -0.04 0.00 -0.81 0.00 0.00 59.98 58.67 1f54 h ARG 74 Cb 0.08 0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 29.69 1f54 h ARG 74 CO 0.00 1.17 -0.50 0.94 -1.51 0.00 0.00 179.97 180.07 1f54 n GLN 75 N -3.63 0.91 -0.25 0.20 -0.06 -0.72 -4.86 117.38 108.97 1f54 n GLN 75 Ca -0.08 -2.48 -0.04 0.00 -2.00 0.00 0.00 57.00 52.40 1f54 n GLN 75 Cb 0.94 -1.06 0.01 0.00 -4.06 0.00 0.00 30.24 26.08 1f54 n GLN 75 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 1f54 h LEU 76 N 0.60 -1.22 0.00 1.69 5.85 -0.85 -3.51 115.31 117.86 1f54 h LEU 76 Ca -0.05 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1f54 h LEU 76 Cb 1.26 0.62 0.00 0.00 0.37 0.00 0.00 40.66 42.91 1f54 h LEU 76 CO 0.02 -0.30 0.00 1.17 -0.34 0.00 0.00 178.44 178.99