#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 0.00 -3.62 -3.46 7.64 -1.26 -5.14 113.62 107.78 1f54 n SER 2 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1f54 n SER 2 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1f54 n SER 2 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1f54 s ASN 3 N -0.72 -0.12 1.22 6.43 2.20 -1.26 -5.16 114.94 117.52 1f54 s ASN 3 Ca 0.00 0.13 -0.14 0.00 -0.94 0.00 0.00 52.86 51.90 1f54 s ASN 3 Cb 0.00 0.10 0.29 0.00 -2.00 0.00 0.00 41.25 39.65 1f54 s ASN 3 CO 0.00 -0.12 0.90 -0.11 -2.94 0.00 0.00 177.10 174.83 1f54 n LEU 4 N 0.52 -1.91 0.00 3.54 7.94 -1.26 -5.05 117.00 120.79 1f54 n LEU 4 Ca -0.02 -0.26 -0.20 0.00 -1.11 0.00 0.00 56.01 54.42 1f54 n LEU 4 Cb 0.59 -1.20 -0.08 0.00 0.53 0.00 0.00 43.42 43.26 1f54 n LEU 4 CO 0.09 -3.45 -0.08 0.41 -1.11 0.00 0.00 177.39 173.25 1f54 n THR 5 N -5.07 0.00 0.00 1.96 -1.04 -1.26 -5.02 114.28 103.85 1f54 n THR 5 Ca 0.03 -2.45 0.00 0.00 -2.04 0.00 0.00 64.05 59.59 1f54 n THR 5 Cb 0.55 1.24 0.00 0.00 -1.82 0.00 0.00 70.33 70.30 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 -0.65 0.00 -0.32 -2.82 1.02 -1.26 -1.75 120.64 114.87 1f54 n GLU 6 Ca 0.07 0.61 0.16 0.00 -0.02 0.00 0.00 57.16 57.99 1f54 n GLU 6 Cb 0.62 -1.47 0.33 0.00 -0.02 0.00 0.00 31.44 30.91 1f54 n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1f54 h GLU 7 N 0.00 0.11 0.09 3.49 4.39 -2.00 -0.54 114.58 120.13 1f54 h GLU 7 Ca 0.00 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.70 1f54 h GLU 7 Cb 0.00 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 1f54 h GLU 7 CO 0.00 0.07 -0.39 0.37 -1.16 0.00 0.00 179.01 177.90 1f54 h GLN 8 N 0.11 -0.54 -1.04 2.33 4.15 -1.85 -0.24 115.11 118.03 1f54 h GLN 8 Ca 0.61 0.04 0.27 0.00 0.77 0.00 0.00 58.65 60.34 1f54 h GLN 8 Cb 1.32 0.12 -0.09 0.00 0.21 0.00 0.00 27.48 29.04 1f54 h GLN 8 CO -0.76 -0.36 0.68 0.82 -1.93 0.00 0.00 178.83 177.28 1f54 h ILE 9 N -0.56 0.52 0.16 2.39 2.04 -0.26 -2.01 117.51 119.79 1f54 h ILE 9 Ca -0.01 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1f54 h ILE 9 Cb 0.56 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1f54 h ILE 9 CO -0.21 0.07 -0.11 0.00 0.00 0.00 0.00 178.15 177.90 1f54 h ALA 10 N 1.61 -0.93 -1.11 1.87 0.00 -0.44 -0.20 119.26 120.07 1f54 h ALA 10 Ca 0.59 -0.05 0.31 0.00 0.00 0.00 0.00 54.91 55.76 1f54 h ALA 10 Cb 1.54 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 19.54 1f54 h ALA 10 CO -0.28 -0.93 0.78 0.93 0.00 0.00 0.00 179.25 179.74 1f54 h GLU 11 N -0.25 0.09 -0.22 0.00 3.07 -0.88 0.16 114.58 116.55 1f54 h GLU 11 Ca -0.02 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 1f54 h GLU 11 Cb 0.21 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 1f54 h GLU 11 CO 0.01 0.06 -0.03 0.74 -1.40 0.00 0.00 179.01 178.39 1f54 h PHE 12 N 0.09 0.46 -0.01 4.33 -1.00 -0.67 -2.54 116.94 117.61 1f54 h PHE 12 Ca 0.55 -0.09 0.02 0.00 2.81 0.00 0.00 57.97 61.26 1f54 h PHE 12 Cb 2.00 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 41.42 1f54 h PHE 12 CO -0.00 0.63 -0.12 -0.22 -1.61 0.00 0.00 178.31 176.98 1f54 h LYS 13 N 0.16 -0.20 -0.97 1.51 3.64 0.11 0.10 116.57 120.93 1f54 h LYS 13 Ca 0.06 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.59 1f54 h LYS 13 Cb 0.46 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.24 1f54 h LYS 13 CO 0.02 -0.13 0.61 1.49 -2.27 0.00 0.00 179.45 179.17 1f54 h GLU 14 N -0.20 0.83 0.06 1.90 4.22 -1.46 0.29 114.58 120.21 1f54 h GLU 14 Ca 0.05 -0.05 -0.00 0.00 0.08 0.00 0.00 59.36 59.43 1f54 h GLU 14 Cb 0.26 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1f54 h GLU 14 CO -0.13 0.55 -0.03 0.00 -2.18 0.00 0.00 179.01 177.22 1f54 h ALA 15 N 1.58 -0.45 -0.90 2.92 0.00 -0.86 -0.10 119.26 121.44 1f54 h ALA 15 Ca 0.49 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.58 1f54 h ALA 15 Cb 0.64 0.03 -0.17 0.00 0.00 0.00 0.00 17.79 18.29 1f54 h ALA 15 CO -0.26 -0.44 -0.17 0.35 0.00 0.00 0.00 179.25 178.72 1f54 h PHE 16 N -0.16 -0.38 0.00 0.00 3.57 -0.75 1.41 116.94 120.63 1f54 h PHE 16 Ca -0.01 0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 1f54 h PHE 16 Cb 0.06 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1f54 h PHE 16 CO 0.08 -0.38 -0.23 0.00 -2.23 0.00 0.00 178.31 175.55 1f54 h ALA 17 N 1.90 1.09 0.00 2.41 0.00 -1.03 -2.24 119.26 121.39 1f54 h ALA 17 Ca 0.46 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1f54 h ALA 17 Cb 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1f54 h ALA 17 CO -0.91 0.29 0.05 1.25 0.00 0.00 0.00 179.25 179.93 1f54 h LEU 18 N 0.00 0.00 -0.39 0.00 6.46 0.39 -2.11 115.31 119.66 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 0.67 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 1f54 h LEU 18 CO 0.03 0.00 0.00 0.49 -0.62 0.00 0.00 178.44 178.34 1f54 n PHE 19 N -2.58 0.00 -1.51 1.25 3.01 -1.02 -5.00 117.46 111.60 1f54 n PHE 19 Ca -0.02 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.17 1f54 n PHE 19 Cb 0.09 0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.40 1f54 n PHE 19 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1f54 n ASP 20 N -0.33 -0.17 -0.14 4.37 2.03 -0.80 -4.71 116.55 116.80 1f54 n ASP 20 Ca 0.00 -0.50 -0.12 0.00 0.52 0.00 0.00 54.79 54.69 1f54 n ASP 20 Cb 0.04 -0.90 -0.01 0.00 -0.72 0.00 0.00 41.12 39.52 1f54 n ASP 20 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1f54 h LYS 21 N 12.27 0.90 0.00 -0.67 3.64 -1.90 -2.42 116.57 128.40 1f54 h LYS 21 Ca -0.01 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1f54 h LYS 21 Cb 1.17 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1f54 h LYS 21 CO 1.43 1.05 0.00 -0.25 -2.27 0.00 0.00 179.45 179.41 1f54 n ASP 22 N -4.18 0.03 -2.63 4.20 9.92 -1.23 -4.81 116.55 117.85 1f54 n ASP 22 Ca -0.01 0.51 -0.16 0.00 -0.53 0.00 0.00 54.79 54.60 1f54 n ASP 22 Cb 0.45 -0.52 -0.00 0.00 -0.64 0.00 0.00 41.12 40.41 1f54 n ASP 22 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1f54 n ASN 23 N -1.54 -4.40 -0.26 -2.24 4.13 -0.91 -4.78 115.26 105.26 1f54 n ASN 23 Ca 0.02 0.03 0.02 0.00 1.68 0.00 0.00 54.58 56.32 1f54 n ASN 23 Cb 0.08 -3.69 0.02 0.00 -1.54 0.00 0.00 39.78 34.66 1f54 n ASN 23 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1f54 n ASN 24 N -1.98 0.53 0.00 6.41 6.94 -1.26 -4.96 115.26 120.93 1f54 n ASN 24 Ca -0.14 -1.90 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 1f54 n ASN 24 Cb 0.61 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.87 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 -0.26 0.79 2.98 4.83 0.00 -1.26 -5.06 105.19 107.21 1f54 n GLY 25 Ca 0.02 -0.38 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.35 0.69 0.08 1.61 1.04 -1.26 -2.49 113.70 111.02 1f54 s SER 26 Ca 0.00 -0.19 0.06 0.00 0.48 0.00 0.00 55.95 56.30 1f54 s SER 26 Cb 0.00 -0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 1f54 s SER 26 CO 0.00 0.01 -0.17 0.27 0.98 0.00 0.00 173.24 174.33 1f54 s ILE 27 N -0.38 1.36 0.55 -1.02 -4.36 -0.52 -3.51 121.20 113.32 1f54 s ILE 27 Ca -0.00 -1.39 -0.19 0.00 -0.26 0.00 0.00 60.65 58.81 1f54 s ILE 27 Cb -0.04 -1.27 -0.05 0.00 1.25 0.00 0.00 42.46 42.35 1f54 s ILE 27 CO -0.00 -0.14 1.12 -0.55 0.24 0.00 0.00 174.94 175.61 1f54 s SER 28 N -1.78 5.70 0.24 4.36 0.15 -1.26 -0.11 113.70 121.00 1f54 s SER 28 Ca 0.02 2.13 -0.11 0.00 0.70 0.00 0.00 55.95 58.69 1f54 s SER 28 Cb -0.10 -2.58 0.35 0.00 -1.71 0.00 0.00 66.02 61.98 1f54 s SER 28 CO 0.03 -1.23 1.60 0.77 1.20 0.00 0.00 173.24 175.61 1f54 h SER 29 N 1.09 -0.68 -0.88 5.45 4.64 -1.88 0.99 113.55 122.26 1f54 h SER 29 Ca -0.50 0.23 0.24 0.00 -0.47 0.00 0.00 61.79 61.29 1f54 h SER 29 Cb 1.26 0.47 -0.05 0.00 -0.31 0.00 0.00 62.40 63.77 1f54 h SER 29 CO 0.57 -0.25 0.62 -1.28 -0.87 0.00 0.00 176.83 175.61 1f54 h SER 30 N 0.01 0.14 0.38 4.97 0.87 -1.91 0.12 113.55 118.13 1f54 h SER 30 Ca 0.38 0.02 -0.25 0.00 -1.23 0.00 0.00 61.79 60.71 1f54 h SER 30 Cb 0.60 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.56 1f54 h SER 30 CO -0.79 0.05 -1.08 -0.33 -0.53 0.00 0.00 176.83 174.15 1f54 h GLU 31 N 0.14 0.41 -0.84 2.24 4.39 0.66 -3.23 114.58 118.35 1f54 h GLU 31 Ca 0.44 -0.52 0.10 0.00 0.34 0.00 0.00 59.36 59.72 1f54 h GLU 31 Cb 1.50 0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 30.26 1f54 h GLU 31 CO -0.07 1.19 0.54 1.25 -1.16 0.00 0.00 179.01 180.76 1f54 h LEU 32 N 0.20 0.70 -0.74 1.33 5.85 -0.03 -0.92 115.31 121.69 1f54 h LEU 32 Ca -0.11 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1f54 h LEU 32 Cb 1.74 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.60 1f54 h LEU 32 CO 0.19 0.41 0.45 0.00 -0.34 0.00 0.00 178.44 179.14 1f54 h ALA 33 N 1.59 1.00 0.47 1.25 0.00 -1.53 -0.57 119.26 121.46 1f54 h ALA 33 Ca 0.39 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1f54 h ALA 33 Cb 0.48 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1f54 h ALA 33 CO -0.16 0.18 -0.22 1.15 0.00 0.00 0.00 179.25 180.19 1f54 h THR 34 N 0.84 0.00 -1.32 0.00 2.02 -1.30 -2.71 112.91 110.44 1f54 h THR 34 Ca 0.32 -0.12 0.39 0.00 0.77 0.00 0.00 66.41 67.77 1f54 h THR 34 Cb 0.13 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.44 1f54 h THR 34 CO -0.16 0.00 0.89 -0.37 0.37 0.00 0.00 175.52 176.26 1f54 h VAL 35 N -0.75 0.27 0.88 3.16 -1.51 -1.38 0.24 116.25 117.16 1f54 h VAL 35 Ca -0.06 -0.04 -0.04 0.00 -1.23 0.00 0.00 66.70 65.32 1f54 h VAL 35 Cb 0.48 0.13 0.01 0.00 -2.13 0.00 0.00 31.29 29.78 1f54 h VAL 35 CO 0.11 0.02 -0.43 -0.03 -1.23 0.00 0.00 177.57 176.01 1f54 h MET 36 N 0.13 -1.15 0.00 5.19 4.05 -0.80 -2.38 114.93 119.95 1f54 h MET 36 Ca 0.72 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 60.22 1f54 h MET 36 Cb 2.42 0.26 0.00 0.00 -0.80 0.00 0.00 31.60 33.49 1f54 h MET 36 CO -0.23 -0.77 0.00 0.00 0.23 0.00 0.00 176.91 176.14 1f54 h ARG 37 N -1.20 0.00 -0.16 0.39 3.08 -0.81 -2.98 114.38 112.71 1f54 h ARG 37 Ca -0.12 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.80 1f54 h ARG 37 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 1f54 h ARG 37 CO 0.19 0.00 -0.45 0.77 -1.07 0.00 0.00 179.97 179.41 1f54 h SER 38 N 0.00 0.42 0.18 7.04 0.02 -0.29 -2.79 113.55 118.13 1f54 h SER 38 Ca 0.00 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.73 1f54 h SER 38 Cb 0.49 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1f54 h SER 38 CO 0.00 0.81 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.32 1f54 h LEU 39 N 0.32 0.00 0.00 5.07 3.38 -1.27 -3.45 115.31 119.37 1f54 h LEU 39 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 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 0.08 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.33 1f54 n GLY 40 N -1.04 0.66 3.30 0.83 0.00 -1.06 -5.12 105.19 102.76 1f54 n GLY 40 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 1.66 -0.38 0.99 2.34 -1.20 -5.07 118.68 117.03 1f54 s LEU 41 Ca 0.00 -1.66 -0.01 0.00 0.06 0.00 0.00 54.13 52.52 1f54 s LEU 41 Cb 0.00 0.40 0.19 0.00 -0.56 0.00 0.00 46.19 46.22 1f54 s LEU 41 CO 0.00 -0.98 0.87 -0.55 -1.06 0.00 0.00 176.35 174.63 1f54 s SER 42 N -3.36 -0.87 0.40 1.48 0.15 -1.26 -4.13 113.70 106.11 1f54 s SER 42 Ca 0.38 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1f54 s SER 42 Cb 0.04 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.47 1f54 s SER 42 CO 0.22 -0.08 0.00 -0.81 1.20 0.00 0.00 173.24 173.77 1f54 n PRO 43 N 3.67 0.28 -4.53 5.44 -0.04 -1.26 -5.09 135.00 133.48 1f54 n PRO 43 Ca 0.10 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.31 1f54 n PRO 43 Cb 0.60 0.00 -0.11 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 -1.39 3.45 0.07 3.54 0.01 -1.26 -4.98 113.70 113.14 1f54 s SER 44 Ca 0.00 -1.26 -0.15 0.00 1.31 0.00 0.00 55.95 55.85 1f54 s SER 44 Cb 0.00 -0.30 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 1f54 s SER 44 CO 0.00 -0.34 1.25 -0.33 0.41 0.00 0.00 173.24 174.24 1f54 h GLU 45 N 2.01 -0.09 -0.68 12.44 4.39 -1.99 0.13 114.58 130.79 1f54 h GLU 45 Ca -0.42 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.39 1f54 h GLU 45 Cb 1.24 0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 29.79 1f54 h GLU 45 CO 0.73 -0.06 -0.40 0.00 -1.16 0.00 0.00 179.01 178.12 1f54 h ALA 46 N -0.50 -0.15 -0.88 3.43 0.00 -2.00 0.88 119.26 120.04 1f54 h ALA 46 Ca 0.05 0.16 0.20 0.00 0.00 0.00 0.00 54.91 55.32 1f54 h ALA 46 Cb 0.24 0.93 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1f54 h ALA 46 CO -0.36 -0.74 0.59 1.49 0.00 0.00 0.00 179.25 180.22 1f54 h GLU 47 N -0.15 0.36 0.05 0.00 4.81 -1.51 -1.55 114.58 116.58 1f54 h GLU 47 Ca 0.23 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1f54 h GLU 47 Cb 0.56 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1f54 h GLU 47 CO -0.75 0.24 -0.02 0.28 -0.73 0.00 0.00 179.01 178.03 1f54 h VAL 48 N 0.37 1.29 -0.82 0.32 2.07 0.32 0.42 116.25 120.22 1f54 h VAL 48 Ca 0.45 -1.19 0.20 0.00 0.82 0.00 0.00 66.70 66.99 1f54 h VAL 48 Cb 1.16 2.06 -0.14 0.00 -1.52 0.00 0.00 31.29 32.85 1f54 h VAL 48 CO -0.16 0.29 0.07 -1.13 0.02 0.00 0.00 177.57 176.67 1f54 h ASN 49 N -0.60 -0.27 0.08 0.57 -0.73 -0.03 0.56 115.58 115.17 1f54 h ASN 49 Ca -0.01 0.21 -0.29 0.00 1.87 0.00 0.00 56.30 58.08 1f54 h ASN 49 Cb 0.53 0.34 0.03 0.00 0.27 0.00 0.00 38.32 39.49 1f54 h ASN 49 CO 0.01 -0.19 -1.16 -0.78 -0.37 0.00 0.00 177.43 174.93 1f54 h ASP 50 N 0.12 0.89 -0.62 1.15 1.82 -1.48 -1.70 116.42 116.61 1f54 h ASP 50 Ca 0.48 -0.78 0.13 0.00 -0.39 0.00 0.00 57.03 56.47 1f54 h ASP 50 Cb 0.90 -0.28 -0.10 0.00 0.68 0.00 0.00 39.33 40.53 1f54 h ASP 50 CO -0.70 1.58 -0.00 -0.07 -1.61 0.00 0.00 179.24 178.44 1f54 h LEU 51 N 0.33 -0.28 0.15 2.28 4.07 0.13 -2.02 115.31 119.96 1f54 h LEU 51 Ca -0.16 0.15 -0.21 0.00 0.08 0.00 0.00 57.88 57.74 1f54 h LEU 51 Cb 1.83 0.27 0.02 0.00 1.08 0.00 0.00 40.66 43.86 1f54 h LEU 51 CO 0.22 -0.12 -0.91 0.24 -1.08 0.00 0.00 178.44 176.80 1f54 h MET 52 N 0.11 0.35 -0.86 1.13 2.86 -1.31 -3.24 114.93 113.97 1f54 h MET 52 Ca 0.32 -0.58 0.25 0.00 -2.06 0.00 0.00 59.70 57.64 1f54 h MET 52 Cb 0.52 0.21 -0.03 0.00 0.06 0.00 0.00 31.60 32.36 1f54 h MET 52 CO -0.53 1.27 0.91 -0.91 1.06 0.00 0.00 176.91 178.71 1f54 h ASN 53 N -0.26 0.00 0.71 1.22 4.21 -0.75 2.38 115.58 123.09 1f54 h ASN 53 Ca -0.16 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.27 1f54 h ASN 53 Cb 1.70 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.89 1f54 h ASN 53 CO 0.17 0.00 -0.39 -0.33 -1.29 0.00 0.00 177.43 175.60 1f54 h GLU 54 N 0.00 0.00 0.00 0.81 5.08 -1.41 -3.32 114.58 115.74 1f54 h GLU 54 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1f54 h GLU 54 Cb 2.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.48 1f54 h GLU 54 CO -0.00 0.39 -0.86 1.51 -1.00 0.00 0.00 179.01 179.04 1f54 n ILE 55 N -3.65 0.00 -2.20 3.13 3.06 0.48 -5.02 119.36 115.16 1f54 n ILE 55 Ca -0.01 -0.02 -0.42 0.00 -2.50 0.00 0.00 62.75 59.81 1f54 n ILE 55 Cb 0.49 0.47 -0.03 0.00 0.54 0.00 0.00 39.64 41.11 1f54 n ILE 55 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1f54 s ASP 56 N -1.76 6.86 -0.00 9.51 2.15 0.69 -4.89 116.67 129.23 1f54 s ASP 56 Ca 0.00 2.37 0.00 0.00 0.43 0.00 0.00 52.55 55.35 1f54 s ASP 56 Cb 0.00 -2.60 -0.00 0.00 -0.30 0.00 0.00 42.92 40.02 1f54 s ASP 56 CO 0.00 -0.58 0.01 0.55 -0.17 0.00 0.00 175.17 174.98 1f54 n VAL 57 N 3.21 0.00 -2.27 1.11 3.14 -1.26 -4.77 118.33 117.49 1f54 n VAL 57 Ca 0.08 -0.38 -0.04 0.00 -2.96 0.00 0.00 64.34 61.04 1f54 n VAL 57 Cb 0.43 0.88 0.02 0.00 -1.06 0.00 0.00 33.84 34.10 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 -1.13 -1.09 0.00 6.55 2.03 -1.26 -5.02 116.55 116.63 1f54 n ASP 58 Ca 0.00 -1.93 0.00 0.00 0.52 0.00 0.00 54.79 53.38 1f54 n ASP 58 Cb 0.01 0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 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 -0.63 1.76 3.73 0.27 0.00 -1.26 -4.86 105.19 104.20 1f54 n GLY 59 Ca -0.21 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 5.33 -0.16 1.61 3.84 -1.26 -4.85 114.94 119.46 1f54 s ASN 60 Ca 0.00 -0.03 -0.35 0.00 0.21 0.00 0.00 52.86 52.69 1f54 s ASN 60 Cb 0.00 -1.40 0.14 0.00 -0.55 0.00 0.00 41.25 39.45 1f54 s ASN 60 CO 0.00 0.21 1.32 -1.38 -2.79 0.00 0.00 177.10 174.46 1f54 s HIS 61 N -1.28 -0.05 -0.51 0.43 -3.43 -1.26 -4.79 115.29 104.40 1f54 s HIS 61 Ca 0.26 0.01 -0.18 0.00 -0.80 0.00 0.00 55.06 54.34 1f54 s HIS 61 Cb -0.12 0.52 0.07 0.00 -1.43 0.00 0.00 32.58 31.61 1f54 s HIS 61 CO 0.18 -0.13 0.58 -0.65 -2.00 0.00 0.00 174.74 172.71 1f54 s GLN 62 N -2.24 3.08 0.65 -0.38 -0.21 -1.26 -3.42 119.66 115.89 1f54 s GLN 62 Ca 0.12 -1.03 -0.14 0.00 0.02 0.00 0.00 55.36 54.33 1f54 s GLN 62 Cb 0.02 -4.12 -0.01 0.00 1.00 0.00 0.00 33.01 29.90 1f54 s GLN 62 CO -0.04 -1.20 1.07 0.42 -2.12 0.00 0.00 175.29 173.42 1f54 s ILE 63 N 2.40 3.69 -0.11 1.08 1.01 0.84 -4.79 121.20 125.33 1f54 s ILE 63 Ca 0.12 0.71 0.04 0.00 0.00 0.00 0.00 60.65 61.52 1f54 s ILE 63 Cb -0.21 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 38.99 1f54 s ILE 63 CO 0.10 -0.57 -0.23 -0.70 0.00 0.00 0.00 174.94 173.55 1f54 s GLU 64 N -4.40 2.97 0.40 2.79 -6.30 -1.26 -1.44 118.70 111.45 1f54 s GLU 64 Ca 0.63 -0.85 0.24 0.00 -2.50 0.00 0.00 54.97 52.48 1f54 s GLU 64 Cb -0.17 -2.27 1.31 0.00 0.00 0.00 0.00 34.13 33.00 1f54 s GLU 64 CO 0.44 0.14 1.63 0.35 0.02 0.00 0.00 175.26 177.84 1f54 h PHE 65 N 6.84 0.69 0.00 5.30 3.57 -1.89 0.23 116.94 131.68 1f54 h PHE 65 Ca -0.22 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1f54 h PHE 65 Cb 1.23 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1f54 h PHE 65 CO 0.47 -0.24 0.00 0.43 -2.23 0.00 0.00 178.31 176.74 1f54 n SER 66 N -4.89 0.00 -0.35 0.41 7.64 -1.26 -2.32 113.62 112.85 1f54 n SER 66 Ca 0.35 0.71 0.17 0.00 1.01 0.00 0.00 58.87 61.10 1f54 n SER 66 Cb 1.26 -0.26 0.37 0.00 -1.01 0.00 0.00 64.21 64.58 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 0.61 -0.20 1.43 4.11 -1.82 0.32 114.58 119.02 1f54 h GLU 67 Ca 0.00 -0.04 0.03 0.00 0.07 0.00 0.00 59.36 59.42 1f54 h GLU 67 Cb 0.00 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.05 1f54 h GLU 67 CO 0.00 0.40 -0.45 0.35 0.07 0.00 0.00 179.01 179.38 1f54 h PHE 68 N 0.62 -1.36 -0.01 2.06 3.57 -0.54 0.29 116.94 121.57 1f54 h PHE 68 Ca 0.62 0.06 -0.07 0.00 3.53 0.00 0.00 57.97 62.11 1f54 h PHE 68 Cb 1.15 0.62 0.01 0.00 2.79 0.00 0.00 35.95 40.51 1f54 h PHE 68 CO -0.01 -0.43 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.31 1f54 h LEU 69 N -0.42 0.25 -1.49 0.59 4.07 -0.95 -0.28 115.31 117.08 1f54 h LEU 69 Ca 0.04 -0.75 0.21 0.00 0.08 0.00 0.00 57.88 57.46 1f54 h LEU 69 Cb 0.53 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.17 1f54 h LEU 69 CO -0.41 0.96 0.85 0.00 -1.08 0.00 0.00 178.44 178.76 1f54 h ALA 70 N 0.29 2.54 0.00 1.53 0.00 -0.23 0.28 119.26 123.66 1f54 h ALA 70 Ca -0.03 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1f54 h ALA 70 Cb 1.00 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1f54 h ALA 70 CO 0.05 -1.22 -1.89 1.28 0.00 0.00 0.00 179.25 177.47 1f54 n LEU 71 N -3.43 0.00 0.20 0.00 4.32 0.08 -4.36 117.00 113.80 1f54 n LEU 71 Ca 0.15 0.00 0.15 0.00 -0.02 0.00 0.00 56.01 56.29 1f54 n LEU 71 Cb 1.09 0.23 0.58 0.00 -1.62 0.00 0.00 43.42 43.70 1f54 n LEU 71 CO 0.25 0.23 0.92 0.24 -1.22 0.00 0.00 177.39 177.81 1f54 h MET 72 N 0.00 0.00 0.00 3.23 2.86 0.14 -2.58 114.93 118.57 1f54 h MET 72 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1f54 h MET 72 Cb 1.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.14 1f54 h MET 72 CO 0.01 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.85 1f54 n SER 73 N -2.66 0.00 -0.01 1.22 3.41 -0.51 -2.75 113.62 112.32 1f54 n SER 73 Ca 0.01 0.22 -0.07 0.00 -0.26 0.00 0.00 58.87 58.78 1f54 n SER 73 Cb 0.28 -0.36 0.12 0.00 -0.26 0.00 0.00 64.21 63.98 1f54 n SER 73 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1f54 h ARG 74 N 0.00 0.56 0.00 4.33 3.08 -1.75 -3.45 114.38 117.16 1f54 h ARG 74 Ca 0.00 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1f54 h ARG 74 Cb 0.18 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1f54 h ARG 74 CO 0.00 0.85 0.00 1.04 -1.07 0.00 0.00 179.97 180.79 1f54 n GLN 75 N -4.04 0.00 0.00 0.04 6.02 -1.11 -4.98 117.38 113.30 1f54 n GLN 75 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1f54 n GLN 75 Cb 0.50 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.76 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 -0.26 0.00 -0.01 1.08 0.00 -1.22 -5.06 117.00 111.53 1f54 n LEU 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1f54 n LEU 76 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 1f54 n LEU 76 CO 0.00 0.00 0.26 1.17 0.00 0.00 0.00 177.39 178.82