#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f43 n LYS -2 N 0.00 2.42 -1.36 1.64 4.81 -1.26 -4.94 118.16 119.47 1f43 n LYS -2 Ca 0.00 -2.96 0.00 0.00 -0.87 0.00 0.00 58.31 54.48 1f43 n LYS -2 Cb 0.00 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 32.89 1f43 n LYS -2 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1f43 n GLU -1 N -0.86 0.00 -2.50 1.64 2.13 -1.26 -5.12 120.64 114.67 1f43 n GLU -1 Ca 0.58 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 58.34 1f43 n GLU -1 Cb 1.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.67 1f43 n GLU -1 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1f43 n LYS 0 N 0.00 -4.20 -3.77 5.31 4.81 -1.26 -5.01 118.16 114.04 1f43 n LYS 0 Ca 0.00 3.21 -0.30 0.00 -0.87 0.00 0.00 58.31 60.35 1f43 n LYS 0 Cb 0.00 -4.76 -0.13 0.00 0.02 0.00 0.00 35.03 30.15 1f43 n LYS 0 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1f43 s SER 1 N -0.65 3.85 0.51 3.14 0.01 -1.26 -4.99 113.70 114.31 1f43 s SER 1 Ca -0.26 -2.57 -0.21 0.00 1.31 0.00 0.00 55.95 54.22 1f43 s SER 1 Cb 0.02 -1.15 -0.06 0.00 0.21 0.00 0.00 66.02 65.04 1f43 s SER 1 CO 0.73 -0.28 1.16 -2.16 0.41 0.00 0.00 173.24 173.10 1f43 s PRO 2 N 0.40 3.51 0.28 12.44 0.04 -1.26 -4.74 135.00 145.67 1f43 s PRO 2 Ca 0.16 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1f43 s PRO 2 Cb -0.24 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.11 1f43 s PRO 2 CO -0.02 -0.74 0.00 1.63 0.04 0.00 0.00 177.00 177.90 1f43 n LYS 3 N -0.94 -4.67 0.00 4.56 5.02 -1.26 -4.89 118.16 115.99 1f43 n LYS 3 Ca 0.10 3.37 0.00 0.00 -2.02 0.00 0.00 58.31 59.76 1f43 n LYS 3 Cb 0.49 -3.65 0.00 0.00 -0.02 0.00 0.00 35.03 31.85 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 0.84 -1.10 3.54 0.72 0.00 -1.26 -4.36 105.19 103.57 1f43 n GLY 4 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1f43 n GLY 4 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1f43 s LYS 5 N -0.70 3.89 -0.15 1.61 2.36 -1.26 -4.91 119.74 120.58 1f43 s LYS 5 Ca 0.00 -1.91 -0.11 0.00 -2.55 0.00 0.00 55.97 51.40 1f43 s LYS 5 Cb 0.00 -5.34 0.05 0.00 -1.05 0.00 0.00 37.83 31.48 1f43 s LYS 5 CO 0.00 -2.10 0.38 0.45 1.55 0.00 0.00 175.35 175.62 1f43 s SER 6 N 4.05 -0.42 0.39 1.43 0.15 -1.26 -5.15 113.70 112.87 1f43 s SER 6 Ca 0.48 0.78 -0.25 0.00 0.70 0.00 0.00 55.95 57.67 1f43 s SER 6 Cb 0.01 0.73 -0.09 0.00 -1.71 0.00 0.00 66.02 64.96 1f43 s SER 6 CO 0.01 -0.16 1.06 -0.55 1.20 0.00 0.00 173.24 174.80 1f43 s SER 7 N 0.74 6.81 1.07 5.45 0.15 -1.26 -5.03 113.70 121.63 1f43 s SER 7 Ca -0.04 2.07 -0.13 0.00 0.70 0.00 0.00 55.95 58.55 1f43 s SER 7 Cb -0.05 -2.59 0.23 0.00 -1.71 0.00 0.00 66.02 61.90 1f43 s SER 7 CO -0.05 -0.46 1.06 -0.51 1.20 0.00 0.00 173.24 174.49 1f43 s ILE 8 N -1.59 2.05 0.82 6.45 2.07 -1.26 -5.01 121.20 124.73 1f43 s ILE 8 Ca 0.56 0.02 -0.12 0.00 -1.41 0.00 0.00 60.65 59.70 1f43 s ILE 8 Cb -0.23 -2.32 0.18 0.00 0.13 0.00 0.00 42.46 40.22 1f43 s ILE 8 CO 0.29 -0.02 0.41 -1.20 -1.91 0.00 0.00 174.94 172.51 1f43 n SER 9 N -4.51 -2.86 0.14 4.50 7.64 -1.26 -4.51 113.62 112.76 1f43 n SER 9 Ca 0.04 -0.42 0.19 0.00 1.01 0.00 0.00 58.87 59.69 1f43 n SER 9 Cb 0.56 -0.58 0.71 0.00 -1.01 0.00 0.00 64.21 63.88 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 -0.70 1.43 0.13 -2.03 0.61 132.00 131.43 1f43 h PRO 10 Ca -0.19 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.15 1f43 h PRO 10 Cb 0.64 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.74 1f43 h PRO 10 CO 0.11 0.00 0.69 1.96 -0.23 0.00 0.00 178.00 180.53 1f43 h GLN 11 N 0.00 0.00 -0.67 0.86 4.20 -1.96 -1.31 115.11 116.23 1f43 h GLN 11 Ca 0.16 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.97 1f43 h GLN 11 Cb 1.17 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.83 1f43 h GLN 11 CO -0.00 0.00 -0.42 0.00 -0.67 0.00 0.00 178.83 177.74 1f43 h ALA 12 N 1.29 -0.20 0.16 3.87 0.00 -1.10 2.68 119.26 125.95 1f43 h ALA 12 Ca 0.33 0.15 -0.30 0.00 0.00 0.00 0.00 54.91 55.09 1f43 h ALA 12 Cb 1.71 0.96 0.01 0.00 0.00 0.00 0.00 17.79 20.46 1f43 h ALA 12 CO -0.00 -0.77 -1.41 0.07 0.00 0.00 0.00 179.25 177.14 1f43 h ARG 13 N -0.16 0.33 0.55 0.00 0.11 -1.52 -3.09 114.38 110.61 1f43 h ARG 13 Ca 0.22 -0.57 -0.03 0.00 0.10 0.00 0.00 59.98 59.70 1f43 h ARG 13 Cb 0.56 0.21 0.01 0.00 1.11 0.00 0.00 29.97 31.86 1f43 h ARG 13 CO -0.75 1.25 -0.26 0.00 0.10 0.00 0.00 179.97 180.30 1f43 h ALA 14 N 0.44 -0.74 -0.14 0.08 0.00 -0.64 0.92 119.26 119.18 1f43 h ALA 14 Ca -0.20 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.55 1f43 h ALA 14 Cb 2.04 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 20.06 1f43 h ALA 14 CO 0.21 -0.77 -0.16 0.27 0.00 0.00 0.00 179.25 178.79 1f43 h PHE 15 N -1.02 -0.41 -0.32 0.00 -5.15 0.45 -0.46 116.94 110.03 1f43 h PHE 15 Ca -0.08 0.02 -0.06 0.00 -0.20 0.00 0.00 57.97 57.65 1f43 h PHE 15 Cb 0.64 0.20 -0.02 0.00 0.22 0.00 0.00 35.95 36.99 1f43 h PHE 15 CO 0.01 -0.23 -0.07 1.25 -2.00 0.00 0.00 178.31 177.26 1f43 h LEU 16 N -0.20 0.50 0.08 2.10 5.85 -1.58 -1.21 115.31 120.86 1f43 h LEU 16 Ca 0.10 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1f43 h LEU 16 Cb 0.34 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1f43 h LEU 16 CO -0.25 0.62 -0.31 -0.33 -0.34 0.00 0.00 178.44 177.82 1f43 h GLU 17 N 0.49 -0.44 -0.38 1.25 4.39 0.25 0.34 114.58 120.47 1f43 h GLU 17 Ca 0.10 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 1f43 h GLU 17 Cb 0.43 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1f43 h GLU 17 CO 0.02 -0.29 0.09 -0.56 -1.16 0.00 0.00 179.01 177.11 1f43 h GLN 18 N -0.46 0.56 0.39 2.33 3.07 -1.25 -0.74 115.11 119.01 1f43 h GLN 18 Ca -0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 58.65 58.63 1f43 h GLN 18 Cb 0.45 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.92 1f43 h GLN 18 CO -0.16 0.51 -0.22 0.28 0.09 0.00 0.00 178.83 179.32 1f43 h VAL 19 N 0.55 0.00 0.00 1.86 2.07 -0.53 0.14 116.25 120.33 1f43 h VAL 19 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1f43 h VAL 19 Cb 0.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1f43 h VAL 19 CO -0.00 0.00 0.00 0.15 0.02 0.00 0.00 177.57 177.74 1f43 h PHE 20 N -0.57 0.00 0.15 1.57 3.57 -0.32 -1.64 116.94 119.70 1f43 h PHE 20 Ca -0.05 0.00 -0.30 0.00 3.53 0.00 0.00 57.97 61.15 1f43 h PHE 20 Cb 0.45 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.20 1f43 h PHE 20 CO 0.05 0.00 -1.42 -0.09 -2.23 0.00 0.00 178.31 174.62 1f43 h ARG 21 N 0.00 0.31 -0.82 1.11 2.43 -0.49 -3.31 114.38 113.61 1f43 h ARG 21 Ca 0.00 -0.53 0.03 0.00 -0.81 0.00 0.00 59.98 58.67 1f43 h ARG 21 Cb 0.05 0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 29.75 1f43 h ARG 21 CO 0.00 1.22 0.54 0.00 -1.51 0.00 0.00 179.97 180.22 1f43 h ARG 22 N 0.08 0.99 0.00 0.20 3.08 0.26 -3.47 114.38 115.53 1f43 h ARG 22 Ca -0.21 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1f43 h ARG 22 Cb 2.03 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.85 1f43 h ARG 22 CO 0.20 0.65 0.00 0.36 -1.07 0.00 0.00 179.97 180.11 1f43 n LYS 23 N -4.45 0.00 0.00 0.04 2.85 -1.22 -5.11 118.16 110.28 1f43 n LYS 23 Ca 0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 1f43 n LYS 23 Cb 0.11 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.49 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 -3.35 -1.58 1.13 -1.26 -4.67 117.38 107.65 1f43 n GLN 24 Ca 0.00 0.00 -0.45 0.00 -1.94 0.00 0.00 57.00 54.61 1f43 n GLN 24 Cb 0.00 -0.11 -0.01 0.00 0.11 0.00 0.00 30.24 30.24 1f43 n GLN 24 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1f43 s SER 25 N -3.25 7.13 -0.05 1.08 0.15 -1.26 -5.03 113.70 112.46 1f43 s SER 25 Ca 0.00 -3.36 -0.30 0.00 0.70 0.00 0.00 55.95 53.00 1f43 s SER 25 Cb 0.00 -2.20 -0.03 0.00 -1.71 0.00 0.00 66.02 62.08 1f43 s SER 25 CO 0.00 -0.36 1.22 -0.76 1.20 0.00 0.00 173.24 174.54 1f43 s LEU 26 N -0.88 4.28 0.62 3.45 1.43 -1.26 -5.03 118.68 121.29 1f43 s LEU 26 Ca 0.27 1.84 0.04 0.00 -1.03 0.00 0.00 54.13 55.25 1f43 s LEU 26 Cb -0.10 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 42.65 1f43 s LEU 26 CO -0.08 -0.60 0.86 0.54 0.23 0.00 0.00 176.35 177.29 1f43 s ASN 27 N 1.54 4.85 0.55 2.29 4.22 -1.26 -4.59 114.94 122.53 1f43 s ASN 27 Ca 0.57 -0.49 0.40 0.00 -2.14 0.00 0.00 52.86 51.20 1f43 s ASN 27 Cb -0.25 -0.08 1.59 0.00 1.28 0.00 0.00 41.25 43.79 1f43 s ASN 27 CO 0.22 -1.49 1.73 -1.28 -2.04 0.00 0.00 177.10 174.25 1f43 h SER 28 N -0.10 0.00 0.03 3.54 0.87 -1.97 1.81 113.55 117.73 1f43 h SER 28 Ca -0.35 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.15 1f43 h SER 28 Cb 1.28 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.25 1f43 h SER 28 CO 0.42 0.00 -0.25 0.11 -0.53 0.00 0.00 176.83 176.58 1f43 h LYS 29 N 0.00 0.12 -0.36 2.24 1.79 -1.98 -2.82 116.57 115.56 1f43 h LYS 29 Ca 0.66 -0.17 -0.16 0.00 -2.18 0.00 0.00 60.65 58.80 1f43 h LYS 29 Cb 2.67 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 33.38 1f43 h LYS 29 CO -0.01 1.00 -0.41 0.93 -1.08 0.00 0.00 179.45 179.88 1f43 h GLU 30 N -0.68 0.92 -0.53 3.15 5.08 -0.76 0.99 114.58 122.75 1f43 h GLU 30 Ca -0.04 -0.51 0.04 0.00 -1.00 0.00 0.00 59.36 57.85 1f43 h GLU 30 Cb 1.11 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1f43 h GLU 30 CO 0.05 1.16 0.35 1.57 -1.00 0.00 0.00 179.01 181.14 1f43 h LYS 31 N 0.73 0.58 0.09 2.33 2.10 0.24 2.30 116.57 124.94 1f43 h LYS 31 Ca 0.05 -0.03 -0.34 0.00 -2.00 0.00 0.00 60.65 58.32 1f43 h LYS 31 Cb 1.01 -0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 32.19 1f43 h LYS 31 CO 0.10 0.38 -1.90 -0.85 -2.00 0.00 0.00 179.45 175.18 1f43 n GLU 32 N -4.47 0.72 0.06 0.07 0.28 -1.06 -2.23 120.64 114.00 1f43 n GLU 32 Ca 0.06 0.28 -0.10 0.00 -0.16 0.00 0.00 57.16 57.24 1f43 n GLU 32 Cb 0.15 -1.74 0.02 0.00 1.43 0.00 0.00 31.44 31.31 1f43 n GLU 32 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 1f43 h GLU 33 N 0.05 0.37 0.21 3.44 4.39 0.14 -2.59 114.58 120.59 1f43 h GLU 33 Ca -0.38 -0.32 -0.32 0.00 0.34 0.00 0.00 59.36 58.69 1f43 h GLU 33 Cb 2.03 0.07 0.03 0.00 -0.10 0.00 0.00 28.75 30.78 1f43 h GLU 33 CO 0.09 0.97 -1.41 0.28 -1.16 0.00 0.00 179.01 177.78 1f43 h VAL 34 N 0.25 1.34 -0.06 3.13 2.07 0.37 -2.93 116.25 120.42 1f43 h VAL 34 Ca -0.04 -2.83 -0.06 0.00 0.82 0.00 0.00 66.70 64.60 1f43 h VAL 34 Cb 1.34 3.00 -0.01 0.00 -1.52 0.00 0.00 31.29 34.10 1f43 h VAL 34 CO 0.13 0.84 -0.23 0.00 0.02 0.00 0.00 177.57 178.33 1f43 h ALA 35 N 0.31 1.50 0.00 1.67 0.00 -1.47 0.53 119.26 121.80 1f43 h ALA 35 Ca -0.22 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1f43 h ALA 35 Cb 2.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1f43 h ALA 35 CO 0.25 0.36 -0.73 1.57 0.00 0.00 0.00 179.25 180.70 1f43 h LYS 36 N 0.09 0.00 0.00 0.00 2.10 -1.53 1.03 116.57 118.27 1f43 h LYS 36 Ca 0.02 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.51 1f43 h LYS 36 Cb 0.47 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.77 1f43 h LYS 36 CO 0.03 0.00 -1.99 0.36 -2.00 0.00 0.00 179.45 175.85 1f43 n LYS 37 N -2.68 0.93 -0.08 0.07 2.85 -1.05 -4.54 118.16 113.66 1f43 n LYS 37 Ca 0.01 -0.08 -0.10 0.00 -1.05 0.00 0.00 58.31 57.09 1f43 n LYS 37 Cb 0.53 -1.43 -0.15 0.00 -0.65 0.00 0.00 35.03 33.33 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 1.70 1.85 0.00 0.00 0.00 -0.89 -4.80 105.19 103.05 1f43 n GLY 39 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.34 0.00 -3.75 -0.61 5.41 0.35 -4.98 119.36 115.43 1f43 n ILE 40 Ca 0.00 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.64 1f43 n ILE 40 Cb 0.00 -0.65 -0.07 0.00 -0.71 0.00 0.00 39.64 38.21 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 1.21 0.09 0.55 1.39 2.01 -1.26 -4.17 115.64 115.45 1f43 s THR 41 Ca 0.00 -0.71 0.35 0.00 0.31 0.00 0.00 61.69 61.64 1f43 s THR 41 Cb 0.00 -0.98 0.52 0.00 0.01 0.00 0.00 72.50 72.05 1f43 s THR 41 CO 0.00 -0.39 1.81 -0.65 -0.69 0.00 0.00 174.62 174.70 1f43 h PRO 42 N 3.13 0.00 0.00 4.92 0.11 -1.92 0.98 132.00 139.22 1f43 h PRO 42 Ca -0.32 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.62 1f43 h PRO 42 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1f43 h PRO 42 CO 0.47 0.00 -1.03 1.25 -0.21 0.00 0.00 178.00 178.47 1f43 h LEU 43 N 0.00 0.00 0.00 2.35 5.85 -1.95 -3.33 115.31 118.23 1f43 h LEU 43 Ca 0.50 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.21 1f43 h LEU 43 Cb 2.08 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.11 1f43 h LEU 43 CO -0.01 0.69 -0.19 1.56 -0.34 0.00 0.00 178.44 180.16 1f43 h GLN 44 N 0.00 0.00 -1.31 1.25 1.08 0.29 -3.15 115.11 113.27 1f43 h GLN 44 Ca -0.09 0.00 0.42 0.00 -1.45 0.00 0.00 58.65 57.53 1f43 h GLN 44 Cb 1.61 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 28.94 1f43 h GLN 44 CO 0.08 0.08 0.89 1.33 -0.95 0.00 0.00 178.83 180.25 1f43 n VAL 45 N -4.71 -0.13 -0.05 -0.54 0.24 0.18 0.29 118.33 113.60 1f43 n VAL 45 Ca -0.04 1.39 -0.02 0.00 -2.04 0.00 0.00 64.34 63.63 1f43 n VAL 45 Cb 0.12 -2.28 -0.02 0.00 -1.47 0.00 0.00 33.84 30.19 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 -0.25 7.34 0.11 -1.69 -2.71 114.38 117.17 1f43 h ARG 46 Ca 0.74 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.74 1f43 h ARG 46 Cb 2.61 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.68 1f43 h ARG 46 CO -0.25 0.12 -0.17 -0.39 0.10 0.00 0.00 179.97 179.38 1f43 h VAL 47 N -1.00 1.31 0.26 0.08 -1.51 -0.61 -1.15 116.25 113.64 1f43 h VAL 47 Ca -0.00 -1.29 -0.01 0.00 -1.23 0.00 0.00 66.70 64.16 1f43 h VAL 47 Cb 0.15 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1f43 h VAL 47 CO -0.00 0.40 -0.13 -0.25 -1.23 0.00 0.00 177.57 176.37 1f43 h TRP 48 N 0.28 -0.33 0.00 5.19 7.01 0.41 -2.52 115.95 125.98 1f43 h TRP 48 Ca 0.05 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 1f43 h TRP 48 Cb 0.70 0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.87 1f43 h TRP 48 CO 0.07 -0.15 -0.16 0.74 -2.79 0.00 0.00 178.44 176.14 1f43 h PHE 49 N -0.43 0.00 0.09 2.65 0.04 -1.52 -0.54 116.94 117.23 1f43 h PHE 49 Ca -0.04 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.75 1f43 h PHE 49 Cb 0.32 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.44 1f43 h PHE 49 CO -0.04 0.16 -0.24 0.82 -0.60 0.00 0.00 178.31 178.42 1f43 h ILE 50 N 0.00 0.47 0.00 -0.55 1.08 -0.75 2.04 117.51 119.80 1f43 h ILE 50 Ca -0.00 0.00 -0.22 0.00 -0.39 0.00 0.00 64.86 64.25 1f43 h ILE 50 Cb 0.46 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 1f43 h ILE 50 CO 0.02 0.00 -1.06 0.78 -0.69 0.00 0.00 178.15 177.20 1f43 h ASN 51 N -0.42 0.01 -0.44 1.72 2.35 -1.44 0.76 115.58 118.11 1f43 h ASN 51 Ca 0.04 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1f43 h ASN 51 Cb 0.46 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1f43 h ASN 51 CO -0.15 1.01 0.00 0.29 -1.65 0.00 0.00 177.43 176.92 1f43 n LYS 52 N -3.33 2.87 -1.22 0.81 4.76 -0.22 -4.27 118.16 117.56 1f43 n LYS 52 Ca -0.02 -1.94 -0.00 0.00 -2.87 0.00 0.00 58.31 53.48 1f43 n LYS 52 Cb 0.95 -1.70 0.01 0.00 -1.84 0.00 0.00 35.03 32.45 1f43 n LYS 52 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1f43 n ARG 53 N 0.69 0.08 -0.57 1.97 0.63 0.69 -4.86 116.66 115.29 1f43 n ARG 53 Ca 0.18 -0.11 -0.41 0.00 -0.92 0.00 0.00 57.85 56.59 1f43 n ARG 53 Cb 0.65 0.21 -0.10 0.00 0.45 0.00 0.00 32.46 33.67 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 -0.09 0.27 0.05 -0.14 1.56 0.26 -4.55 117.12 114.49 1f43 n MET 54 Ca -0.02 -1.10 -0.11 0.00 -0.27 0.00 0.00 57.70 56.19 1f43 n MET 54 Cb 0.45 -2.53 -0.08 0.00 2.15 0.00 0.00 33.22 33.21 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 9.45 -0.20 -7.40 2.12 2.47 -1.87 -3.46 114.38 115.49 1f43 h ARG 55 Ca 0.27 0.01 -0.46 0.00 -1.26 0.00 0.00 59.98 58.55 1f43 h ARG 55 Cb 0.63 0.05 0.09 0.00 -1.65 0.00 0.00 29.97 29.09 1f43 h ARG 55 CO 1.95 0.24 0.28 0.45 0.56 0.00 0.00 179.97 183.44 1f43 s SER 56 N -5.48 4.56 0.00 7.04 0.15 -1.26 -5.27 113.70 113.44 1f43 s SER 56 Ca -0.13 0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.97 1f43 s SER 56 Cb 0.01 -1.00 0.00 0.00 -1.71 0.00 0.00 66.02 63.32 1f43 s SER 56 CO 0.49 -1.78 0.17 1.17 1.20 0.00 0.00 173.24 174.49