#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f43 s LYS -2 N 0.00 4.39 -0.04 1.64 2.20 -1.26 -4.48 119.74 122.19 1f43 s LYS -2 Ca 0.00 1.46 -0.01 0.00 -0.36 0.00 0.00 55.97 57.06 1f43 s LYS -2 Cb 0.00 -3.56 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1f43 s LYS -2 CO 0.00 -0.38 0.02 -0.85 -0.36 0.00 0.00 175.35 173.78 1f43 n GLU -1 N 5.18 -1.21 0.05 4.03 0.28 -1.26 -4.75 120.64 122.96 1f43 n GLU -1 Ca 0.10 1.30 -0.05 0.00 -0.16 0.00 0.00 57.16 58.35 1f43 n GLU -1 Cb 0.48 -1.61 -0.10 0.00 1.43 0.00 0.00 31.44 31.64 1f43 n GLU -1 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1f43 h LYS 0 N 4.09 0.00 -0.13 3.44 1.57 -1.94 -3.33 116.57 120.27 1f43 h LYS 0 Ca -0.04 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1f43 h LYS 0 Cb 0.58 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 1f43 h LYS 0 CO 0.01 0.74 -0.25 0.77 -0.57 0.00 0.00 179.45 180.15 1f43 h SER 1 N 0.00 -0.77 0.31 0.86 0.02 -1.98 -1.08 113.55 110.91 1f43 h SER 1 Ca -0.09 0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 1f43 h SER 1 Cb 1.75 0.34 -0.00 0.00 0.14 0.00 0.00 62.40 64.62 1f43 h SER 1 CO 0.10 -0.30 -0.12 -0.65 -1.14 0.00 0.00 176.83 174.72 1f43 h PRO 2 N -0.31 0.00 -4.74 3.45 0.11 -1.94 -3.48 132.00 125.09 1f43 h PRO 2 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1f43 h PRO 2 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1f43 h PRO 2 CO -0.31 0.12 -0.37 1.63 -0.21 0.00 0.00 178.00 178.86 1f43 n LYS 3 N -3.76 -1.80 0.00 1.05 5.02 -0.41 -4.80 118.16 113.45 1f43 n LYS 3 Ca -0.02 1.73 0.00 0.00 -2.02 0.00 0.00 58.31 58.00 1f43 n LYS 3 Cb 0.23 -4.70 0.00 0.00 -0.02 0.00 0.00 35.03 30.54 1f43 n LYS 3 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1f43 n GLY 4 N -0.38 0.85 2.71 0.72 0.00 -1.26 -4.89 105.19 102.94 1f43 n GLY 4 Ca 0.09 -0.87 -0.06 0.00 0.00 0.00 0.00 46.02 45.17 1f43 n GLY 4 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1f43 n LYS 5 N 0.00 0.52 -1.88 1.61 -0.00 -1.26 -4.90 118.16 112.25 1f43 n LYS 5 Ca 0.00 -1.30 0.00 0.00 -0.00 0.00 0.00 58.31 57.01 1f43 n LYS 5 Cb 0.00 -0.88 0.00 0.00 -0.00 0.00 0.00 35.03 34.15 1f43 n LYS 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1f43 n SER 6 N 1.39 0.58 -2.10 -5.58 7.64 -1.26 -5.08 113.62 109.21 1f43 n SER 6 Ca 0.05 -0.94 0.00 0.00 1.01 0.00 0.00 58.87 58.99 1f43 n SER 6 Cb 0.67 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1f43 n SER 6 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1f43 n SER 7 N -2.27 -8.76 -4.23 6.43 7.64 -1.26 -5.01 113.62 106.15 1f43 n SER 7 Ca 0.00 1.49 -0.13 0.00 1.01 0.00 0.00 58.87 61.24 1f43 n SER 7 Cb 0.00 -4.86 -0.10 0.00 -1.01 0.00 0.00 64.21 58.24 1f43 n SER 7 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1f43 s ILE 8 N -0.52 0.36 0.62 0.44 2.07 -1.26 -5.13 121.20 117.79 1f43 s ILE 8 Ca 0.00 -1.98 -0.09 0.00 -1.41 0.00 0.00 60.65 57.18 1f43 s ILE 8 Cb 0.00 -2.35 0.14 0.00 0.13 0.00 0.00 42.46 40.38 1f43 s ILE 8 CO 0.00 -0.22 0.31 -1.20 -1.91 0.00 0.00 174.94 171.92 1f43 n SER 9 N -0.28 -2.47 0.24 4.50 7.64 -1.26 -4.51 113.62 117.48 1f43 n SER 9 Ca -0.02 -0.31 0.17 0.00 1.01 0.00 0.00 58.87 59.72 1f43 n SER 9 Cb 0.65 -0.45 0.81 0.00 -1.01 0.00 0.00 64.21 64.21 1f43 n SER 9 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1f43 h PRO 10 N 0.00 0.00 -0.30 1.43 0.13 -2.03 0.12 132.00 131.36 1f43 h PRO 10 Ca -0.14 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.08 1f43 h PRO 10 Cb 0.47 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 1f43 h PRO 10 CO 0.08 0.00 0.47 1.96 -0.23 0.00 0.00 178.00 180.28 1f43 h GLN 11 N 0.00 0.00 -0.49 0.86 7.50 -1.96 -1.93 115.11 119.09 1f43 h GLN 11 Ca 0.07 0.00 0.07 0.00 0.50 0.00 0.00 58.65 59.29 1f43 h GLN 11 Cb 0.76 0.00 -0.10 0.00 0.05 0.00 0.00 27.48 28.20 1f43 h GLN 11 CO -0.00 0.00 -0.47 0.00 -1.50 0.00 0.00 178.83 176.86 1f43 h ALA 12 N 1.34 -0.49 0.15 3.87 0.00 -1.19 2.84 119.26 125.78 1f43 h ALA 12 Ca 0.14 0.07 -0.29 0.00 0.00 0.00 0.00 54.91 54.82 1f43 h ALA 12 Cb 1.08 1.00 0.01 0.00 0.00 0.00 0.00 17.79 19.88 1f43 h ALA 12 CO -0.00 -0.91 -1.34 0.07 0.00 0.00 0.00 179.25 177.07 1f43 h ARG 13 N -0.30 0.32 0.26 0.00 0.11 -1.63 -3.14 114.38 110.00 1f43 h ARG 13 Ca 0.14 -0.55 -0.01 0.00 0.10 0.00 0.00 59.98 59.66 1f43 h ARG 13 Cb 0.58 0.20 0.00 0.00 1.11 0.00 0.00 29.97 31.86 1f43 h ARG 13 CO -0.64 1.25 -0.12 0.00 0.10 0.00 0.00 179.97 180.55 1f43 h ALA 14 N 0.48 -0.35 -0.47 0.08 0.00 -0.75 1.07 119.26 119.33 1f43 h ALA 14 Ca -0.18 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.63 1f43 h ALA 14 Cb 2.02 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 19.89 1f43 h ALA 14 CO 0.21 -0.55 0.16 0.27 0.00 0.00 0.00 179.25 179.33 1f43 h PHE 15 N -0.63 0.28 0.00 0.00 -5.15 0.49 -0.86 116.94 111.07 1f43 h PHE 15 Ca -0.04 0.02 -0.10 0.00 -0.20 0.00 0.00 57.97 57.66 1f43 h PHE 15 Cb 0.45 -0.05 -0.01 0.00 0.22 0.00 0.00 35.95 36.55 1f43 h PHE 15 CO 0.01 0.09 -0.46 1.25 -2.00 0.00 0.00 178.31 177.20 1f43 h LEU 16 N 0.33 0.00 0.28 2.10 5.85 -1.54 -2.38 115.31 119.94 1f43 h LEU 16 Ca 0.22 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1f43 h LEU 16 Cb 0.23 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1f43 h LEU 16 CO -0.23 0.46 -0.34 -0.33 -0.34 0.00 0.00 178.44 177.66 1f43 h GLU 17 N 0.00 -0.64 -0.24 1.25 4.39 0.26 0.21 114.58 119.80 1f43 h GLU 17 Ca -0.00 0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.66 1f43 h GLU 17 Cb 1.24 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.02 1f43 h GLU 17 CO 0.06 -0.43 -0.19 -0.56 -1.16 0.00 0.00 179.01 176.73 1f43 h GLN 18 N -0.66 0.43 0.53 2.33 3.07 -1.37 -0.32 115.11 119.11 1f43 h GLN 18 Ca -0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 58.65 58.58 1f43 h GLN 18 Cb 0.63 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 28.13 1f43 h GLN 18 CO -0.10 0.61 -0.51 0.28 0.09 0.00 0.00 178.83 179.20 1f43 h VAL 19 N 0.39 0.01 0.00 1.86 2.07 -0.77 0.10 116.25 119.91 1f43 h VAL 19 Ca 0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1f43 h VAL 19 Cb 0.56 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1f43 h VAL 19 CO 0.04 0.00 0.00 0.33 0.02 0.00 0.00 177.57 177.96 1f43 n PHE 20 N -5.57 0.16 0.06 1.57 7.35 0.65 -2.73 117.46 118.95 1f43 n PHE 20 Ca -0.12 0.06 -0.21 0.00 -0.76 0.00 0.00 57.45 56.42 1f43 n PHE 20 Cb 0.47 -0.60 -0.13 0.00 0.35 0.00 0.00 39.48 39.57 1f43 n PHE 20 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1f43 h ARG 21 N 0.00 0.48 -0.48 -4.13 2.43 0.44 -3.32 114.38 109.81 1f43 h ARG 21 Ca 0.00 -0.65 0.01 0.00 -0.81 0.00 0.00 59.98 58.52 1f43 h ARG 21 Cb 0.30 0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1f43 h ARG 21 CO 0.00 1.28 0.31 0.00 -1.51 0.00 0.00 179.97 180.05 1f43 h ARG 22 N -0.01 0.62 0.00 0.20 3.08 -0.67 -3.47 114.38 114.14 1f43 h ARG 22 Ca -0.15 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1f43 h ARG 22 Cb 1.70 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.61 1f43 h ARG 22 CO 0.19 0.41 0.00 0.36 -1.07 0.00 0.00 179.97 179.86 1f43 n LYS 23 N -4.76 0.00 0.00 0.04 2.85 -1.23 -5.11 118.16 109.95 1f43 n LYS 23 Ca 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 1f43 n LYS 23 Cb 0.02 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.40 1f43 n LYS 23 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1f43 n GLN 24 N 0.00 0.00 -2.52 -1.58 1.13 -1.26 -4.47 117.38 108.67 1f43 n GLN 24 Ca 0.00 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.63 1f43 n GLN 24 Cb 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 30.24 30.25 1f43 n GLN 24 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1f43 n SER 25 N -2.30 4.85 -4.69 1.08 2.88 -1.26 -4.97 113.62 109.22 1f43 n SER 25 Ca 0.00 -2.93 -0.42 0.00 -1.33 0.00 0.00 58.87 54.19 1f43 n SER 25 Cb 0.00 -1.69 -0.03 0.00 -0.75 0.00 0.00 64.21 61.74 1f43 n SER 25 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1f43 s LEU 26 N 3.24 4.25 0.00 2.46 1.43 -1.26 -5.00 118.68 123.80 1f43 s LEU 26 Ca 0.50 1.52 0.06 0.00 -1.03 0.00 0.00 54.13 55.19 1f43 s LEU 26 Cb 0.04 -3.55 0.06 0.00 0.03 0.00 0.00 46.19 42.78 1f43 s LEU 26 CO 0.04 -0.44 0.50 0.59 0.23 0.00 0.00 176.35 177.26 1f43 n ASN 27 N 4.99 2.08 0.07 2.29 3.02 -1.26 -4.73 115.26 121.73 1f43 n ASN 27 Ca 0.09 -2.40 0.21 0.00 -0.03 0.00 0.00 54.58 52.44 1f43 n ASN 27 Cb 0.49 -0.19 0.74 0.00 -0.61 0.00 0.00 39.78 40.20 1f43 n ASN 27 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1f43 h SER 28 N 0.30 0.00 0.03 6.41 0.87 -1.97 1.75 113.55 120.95 1f43 h SER 28 Ca -0.25 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.26 1f43 h SER 28 Cb 1.03 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.00 1f43 h SER 28 CO 0.38 0.00 -0.20 0.11 -0.53 0.00 0.00 176.83 176.59 1f43 h LYS 29 N 0.00 0.09 -0.15 2.24 6.56 -1.98 -2.83 116.57 120.49 1f43 h LYS 29 Ca 0.21 -0.13 -0.18 0.00 -1.06 0.00 0.00 60.65 59.49 1f43 h LYS 29 Cb 1.13 0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 32.83 1f43 h LYS 29 CO -0.00 1.02 -0.64 0.93 -2.06 0.00 0.00 179.45 178.70 1f43 h GLU 30 N -0.78 0.56 -0.54 3.15 4.39 -1.41 0.90 114.58 120.84 1f43 h GLU 30 Ca -0.03 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1f43 h GLU 30 Cb 1.11 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 1f43 h GLU 30 CO 0.04 1.01 0.34 1.57 -1.16 0.00 0.00 179.01 180.81 1f43 h LYS 31 N 0.41 0.72 0.11 2.33 2.10 0.25 2.11 116.57 124.60 1f43 h LYS 31 Ca -0.01 -0.05 -0.35 0.00 -2.00 0.00 0.00 60.65 58.24 1f43 h LYS 31 Cb 1.21 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 32.36 1f43 h LYS 31 CO 0.12 0.49 -1.89 1.05 -2.00 0.00 0.00 179.45 177.23 1f43 h GLU 32 N 0.74 0.23 -0.10 0.07 4.11 -1.29 -2.57 114.58 115.78 1f43 h GLU 32 Ca 0.20 -0.39 -0.19 0.00 0.07 0.00 0.00 59.36 59.05 1f43 h GLU 32 Cb -0.06 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1f43 h GLU 32 CO -0.04 1.09 -0.72 0.93 0.07 0.00 0.00 179.01 180.33 1f43 h GLU 33 N 0.06 0.47 0.24 1.06 4.39 0.11 -2.90 114.58 118.02 1f43 h GLU 33 Ca -0.38 -0.38 -0.33 0.00 0.34 0.00 0.00 59.36 58.61 1f43 h GLU 33 Cb 2.04 0.08 0.04 0.00 -0.10 0.00 0.00 28.75 30.80 1f43 h GLU 33 CO 0.10 1.01 -1.46 0.28 -1.16 0.00 0.00 179.01 177.78 1f43 h VAL 34 N 0.33 1.30 -0.16 3.13 2.07 0.33 -3.05 116.25 120.20 1f43 h VAL 34 Ca -0.03 -2.73 -0.01 0.00 0.82 0.00 0.00 66.70 64.74 1f43 h VAL 34 Cb 1.30 3.03 -0.01 0.00 -1.52 0.00 0.00 31.29 34.10 1f43 h VAL 34 CO 0.13 0.82 0.04 0.00 0.02 0.00 0.00 177.57 178.58 1f43 h ALA 35 N 0.20 1.79 0.00 1.67 0.00 -1.50 0.96 119.26 122.37 1f43 h ALA 35 Ca -0.25 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1f43 h ALA 35 Cb 2.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 1f43 h ALA 35 CO 0.27 0.17 -0.84 1.57 0.00 0.00 0.00 179.25 180.42 1f43 h LYS 36 N 0.22 0.00 0.00 0.00 2.10 -1.59 0.91 116.57 118.21 1f43 h LYS 36 Ca 0.05 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.53 1f43 h LYS 36 Cb 0.08 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.38 1f43 h LYS 36 CO -0.00 0.07 -1.95 0.36 -2.00 0.00 0.00 179.45 175.93 1f43 n LYS 37 N -2.83 1.08 -0.05 0.07 2.85 -0.95 -4.55 118.16 113.79 1f43 n LYS 37 Ca -0.01 -0.07 -0.04 0.00 -1.05 0.00 0.00 58.31 57.15 1f43 n LYS 37 Cb 0.60 -1.40 -0.14 0.00 -0.65 0.00 0.00 35.03 33.44 1f43 n LYS 37 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1f43 n GLY 39 N 1.57 1.83 0.00 0.00 0.00 -0.99 -4.77 105.19 102.83 1f43 n GLY 39 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1f43 n GLY 39 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1f43 n ILE 40 N -0.38 0.00 -3.65 -0.61 5.41 0.31 -4.98 119.36 115.46 1f43 n ILE 40 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 1f43 n ILE 40 Cb 0.00 -0.54 -0.06 0.00 -0.71 0.00 0.00 39.64 38.33 1f43 n ILE 40 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1f43 s THR 41 N 1.20 0.05 0.58 1.39 2.01 -1.26 -4.13 115.64 115.48 1f43 s THR 41 Ca 0.00 -0.45 0.31 0.00 0.31 0.00 0.00 61.69 61.87 1f43 s THR 41 Cb 0.00 -0.98 0.45 0.00 0.01 0.00 0.00 72.50 71.98 1f43 s THR 41 CO 0.00 -0.25 1.73 -0.65 -0.69 0.00 0.00 174.62 174.76 1f43 h PRO 42 N 2.90 0.00 0.00 4.92 0.11 -1.92 0.98 132.00 138.99 1f43 h PRO 42 Ca -0.32 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.57 1f43 h PRO 42 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 1f43 h PRO 42 CO 0.44 0.00 -1.47 1.25 -0.21 0.00 0.00 178.00 178.00 1f43 h LEU 43 N 0.00 0.00 0.00 2.35 5.85 -1.95 -3.36 115.31 118.19 1f43 h LEU 43 Ca 0.40 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.11 1f43 h LEU 43 Cb 1.97 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.00 1f43 h LEU 43 CO -0.00 0.78 -0.18 1.56 -0.34 0.00 0.00 178.44 180.25 1f43 h GLN 44 N 0.00 0.00 -1.35 1.25 1.08 0.24 -3.16 115.11 113.17 1f43 h GLN 44 Ca -0.20 0.00 0.43 0.00 -1.45 0.00 0.00 58.65 57.43 1f43 h GLN 44 Cb 1.77 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 29.11 1f43 h GLN 44 CO 0.07 0.25 0.93 1.33 -0.95 0.00 0.00 178.83 180.45 1f43 n VAL 45 N -4.69 -0.11 -0.07 -0.54 0.24 0.23 0.28 118.33 113.67 1f43 n VAL 45 Ca -0.05 1.35 -0.11 0.00 -2.04 0.00 0.00 64.34 63.48 1f43 n VAL 45 Cb 0.18 -2.22 -0.08 0.00 -1.47 0.00 0.00 33.84 30.25 1f43 n VAL 45 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1f43 h ARG 46 N 0.00 0.00 -0.28 7.34 0.11 -1.71 -2.41 114.38 117.43 1f43 h ARG 46 Ca 0.74 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.70 1f43 h ARG 46 Cb 2.67 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 33.75 1f43 h ARG 46 CO -0.21 0.65 -0.29 -0.39 0.10 0.00 0.00 179.97 179.83 1f43 h VAL 47 N -1.00 1.30 0.27 0.08 -1.51 -0.21 -1.25 116.25 113.94 1f43 h VAL 47 Ca -0.06 -1.46 -0.01 0.00 -1.23 0.00 0.00 66.70 63.93 1f43 h VAL 47 Cb 0.75 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1f43 h VAL 47 CO -0.04 0.47 -0.13 -0.25 -1.23 0.00 0.00 177.57 176.39 1f43 h TRP 48 N 0.42 -0.34 0.00 5.19 7.01 0.39 -2.53 115.95 126.10 1f43 h TRP 48 Ca 0.04 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.03 1f43 h TRP 48 Cb 0.86 0.11 0.00 0.00 -2.10 0.00 0.00 29.16 28.04 1f43 h TRP 48 CO 0.07 -0.07 0.00 1.19 -2.79 0.00 0.00 178.44 176.84 1f43 n PHE 49 N -5.16 0.69 0.22 2.65 3.72 -0.91 -1.88 117.46 116.80 1f43 n PHE 49 Ca -0.10 0.29 -0.13 0.00 -0.05 0.00 0.00 57.45 57.46 1f43 n PHE 49 Cb 0.23 -0.96 -0.07 0.00 -0.94 0.00 0.00 39.48 37.73 1f43 n PHE 49 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1f43 h ILE 50 N 0.00 0.40 -0.01 4.37 1.08 -0.78 1.75 117.51 124.33 1f43 h ILE 50 Ca 0.00 -0.52 -0.14 0.00 -0.39 0.00 0.00 64.86 63.80 1f43 h ILE 50 Cb 0.27 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.58 1f43 h ILE 50 CO 0.00 0.07 -0.67 0.78 -0.69 0.00 0.00 178.15 177.64 1f43 h ASN 51 N -0.97 0.06 0.17 1.72 -0.26 -1.45 0.72 115.58 115.57 1f43 h ASN 51 Ca -0.06 -0.04 -0.27 0.00 -0.56 0.00 0.00 56.30 55.37 1f43 h ASN 51 Cb 0.57 -0.02 0.02 0.00 -1.06 0.00 0.00 38.32 37.83 1f43 h ASN 51 CO 0.10 0.71 -1.29 0.11 -1.06 0.00 0.00 177.43 176.00 1f43 h LYS 52 N 0.03 0.36 -0.69 0.81 1.79 -1.42 -3.36 116.57 114.09 1f43 h LYS 52 Ca -0.01 -0.62 -0.49 0.00 -2.18 0.00 0.00 60.65 57.35 1f43 h LYS 52 Cb 1.19 0.23 -0.35 0.00 -1.58 0.00 0.00 32.23 31.72 1f43 h LYS 52 CO 0.09 1.30 -0.51 -2.13 -1.08 0.00 0.00 179.45 177.12 1f43 n ARG 53 N -3.89 3.19 -1.49 3.15 0.63 0.60 -4.99 116.66 113.85 1f43 n ARG 53 Ca -0.19 -3.91 -0.13 0.00 -0.92 0.00 0.00 57.85 52.70 1f43 n ARG 53 Cb 0.95 -2.19 -0.10 0.00 0.45 0.00 0.00 32.46 31.57 1f43 n ARG 53 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 1f43 n MET 54 N -0.80 0.25 -0.06 -0.14 1.56 0.25 -4.65 117.12 113.54 1f43 n MET 54 Ca 0.44 -0.95 -0.03 0.00 -0.27 0.00 0.00 57.70 56.88 1f43 n MET 54 Cb 0.91 -3.12 -0.01 0.00 2.15 0.00 0.00 33.22 33.14 1f43 n MET 54 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1f43 h ARG 55 N 11.67 0.00 -3.51 2.12 2.47 -1.87 -3.44 114.38 121.83 1f43 h ARG 55 Ca 0.01 0.00 -0.72 0.00 -1.26 0.00 0.00 59.98 58.00 1f43 h ARG 55 Cb 1.02 0.00 -0.33 0.00 -1.65 0.00 0.00 29.97 29.00 1f43 h ARG 55 CO 1.08 0.00 -0.14 0.45 0.56 0.00 0.00 179.97 181.92 1f43 s SER 56 N -5.28 5.88 0.00 7.04 0.15 -1.26 -5.26 113.70 114.96 1f43 s SER 56 Ca -0.11 -3.21 0.00 0.00 0.70 0.00 0.00 55.95 53.33 1f43 s SER 56 Cb 0.02 -1.95 0.00 0.00 -1.71 0.00 0.00 66.02 62.37 1f43 s SER 56 CO 0.17 -0.32 0.00 2.29 1.20 0.00 0.00 173.24 176.57