#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 3.86 -0.09 -1.58 0.00 -1.26 -4.23 118.16 114.87 1f43 n LYS -2 Ca 0.00 -2.57 -0.11 0.00 -0.00 0.00 0.00 58.31 55.63 1f43 n LYS -2 Cb 0.00 -2.66 -0.10 0.00 -0.00 0.00 0.00 35.03 32.27 1f43 n LYS -2 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1f43 n GLU -1 N 2.75 0.93 -1.22 -1.58 4.07 -1.26 -4.52 120.64 119.80 1f43 n GLU -1 Ca 0.70 0.06 -0.30 0.00 -0.06 0.00 0.00 57.16 57.56 1f43 n GLU -1 Cb 0.29 -1.38 0.08 0.00 -0.06 0.00 0.00 31.44 30.37 1f43 n GLU -1 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1f43 n LYS 0 N -2.85 2.46 -3.54 5.31 2.85 -1.26 -4.93 118.16 116.20 1f43 n LYS 0 Ca -0.30 -2.91 -0.38 0.00 -1.05 0.00 0.00 58.31 53.67 1f43 n LYS 0 Cb 0.91 -2.14 -0.10 0.00 -0.65 0.00 0.00 35.03 33.05 1f43 n LYS 0 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1f43 s SER 1 N -1.38 6.16 0.13 -5.58 1.04 -1.26 -5.00 113.70 107.81 1f43 s SER 1 Ca 0.57 0.17 -0.23 0.00 0.48 0.00 0.00 55.95 56.93 1f43 s SER 1 Cb 0.45 -2.15 -0.02 0.00 0.10 0.00 0.00 66.02 64.41 1f43 s SER 1 CO 0.01 -0.04 1.64 -0.65 0.98 0.00 0.00 173.24 175.18 1f43 h PRO 2 N 7.91 -0.27 0.00 4.02 0.11 -1.99 -3.31 132.00 138.47 1f43 h PRO 2 Ca -0.35 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1f43 h PRO 2 Cb 1.17 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1f43 h PRO 2 CO 0.63 -0.18 0.00 1.63 -0.21 0.00 0.00 178.00 179.87 1f43 n LYS 3 N -5.35 0.00 0.00 1.05 5.02 -1.26 -5.00 118.16 112.62 1f43 n LYS 3 Ca -0.03 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1f43 n LYS 3 Cb 0.26 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 0.27 0.86 3.68 0.72 0.00 -1.25 -4.97 105.19 104.50 1f43 n GLY 4 Ca 0.00 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 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 0.00 4.14 -0.23 1.61 2.47 -1.26 -4.97 119.74 121.51 1f43 s LYS 5 Ca 0.00 2.61 -0.12 0.00 -1.56 0.00 0.00 55.97 56.90 1f43 s LYS 5 Cb 0.00 -3.76 -0.05 0.00 -1.46 0.00 0.00 37.83 32.56 1f43 s LYS 5 CO 0.00 -0.88 0.24 0.45 0.16 0.00 0.00 175.35 175.32 1f43 s SER 6 N 3.23 6.22 -0.32 1.43 0.15 -1.26 -5.02 113.70 118.13 1f43 s SER 6 Ca 0.83 0.25 -0.01 0.00 0.70 0.00 0.00 55.95 57.72 1f43 s SER 6 Cb -0.45 -2.15 0.19 0.00 -1.71 0.00 0.00 66.02 61.90 1f43 s SER 6 CO 0.38 0.03 0.80 -0.55 1.20 0.00 0.00 173.24 175.09 1f43 s SER 7 N 1.02 -1.07 0.52 5.45 0.15 -1.26 -5.17 113.70 113.33 1f43 s SER 7 Ca 0.11 -0.09 0.03 0.00 0.70 0.00 0.00 55.95 56.70 1f43 s SER 7 Cb -0.14 1.57 0.03 0.00 -1.71 0.00 0.00 66.02 65.76 1f43 s SER 7 CO 0.05 -0.17 0.72 -0.51 1.20 0.00 0.00 173.24 174.53 1f43 s ILE 8 N 2.55 2.80 0.71 6.45 2.07 -1.26 -5.10 121.20 129.42 1f43 s ILE 8 Ca 0.17 -0.74 -0.12 0.00 -1.41 0.00 0.00 60.65 58.56 1f43 s ILE 8 Cb -0.05 -3.02 0.18 0.00 0.13 0.00 0.00 42.46 39.71 1f43 s ILE 8 CO -0.20 -0.01 0.43 -1.20 -1.91 0.00 0.00 174.94 172.04 1f43 n SER 9 N -2.22 -3.00 0.10 4.50 7.64 -1.26 -4.60 113.62 114.78 1f43 n SER 9 Ca 0.08 -0.44 0.19 0.00 1.01 0.00 0.00 58.87 59.71 1f43 n SER 9 Cb 0.59 -0.48 0.66 0.00 -1.01 0.00 0.00 64.21 63.97 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 -1.03 1.43 0.13 -2.03 0.18 132.00 130.68 1f43 h PRO 10 Ca -0.19 0.00 0.30 0.00 -0.87 0.00 0.00 66.00 65.24 1f43 h PRO 10 Cb 0.64 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.73 1f43 h PRO 10 CO 0.12 0.00 0.90 1.96 -0.23 0.00 0.00 178.00 180.75 1f43 h GLN 11 N 0.00 0.00 -0.72 0.86 4.20 -1.96 -1.00 115.11 116.50 1f43 h GLN 11 Ca 0.20 0.00 0.10 0.00 0.06 0.00 0.00 58.65 59.00 1f43 h GLN 11 Cb 1.39 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 29.06 1f43 h GLN 11 CO -0.00 0.00 -0.47 0.00 -0.67 0.00 0.00 178.83 177.69 1f43 h ALA 12 N 1.16 -0.32 0.13 3.87 0.00 -1.20 2.71 119.26 125.61 1f43 h ALA 12 Ca 0.49 0.13 -0.29 0.00 0.00 0.00 0.00 54.91 55.25 1f43 h ALA 12 Cb 2.29 1.06 0.00 0.00 0.00 0.00 0.00 17.79 21.15 1f43 h ALA 12 CO -0.01 -0.84 -1.33 0.07 0.00 0.00 0.00 179.25 177.15 1f43 h ARG 13 N -0.16 0.28 0.48 0.00 0.11 -1.46 -3.09 114.38 110.53 1f43 h ARG 13 Ca 0.20 -0.48 -0.02 0.00 0.10 0.00 0.00 59.98 59.77 1f43 h ARG 13 Cb 0.54 0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.81 1f43 h ARG 13 CO -0.78 1.20 -0.23 0.00 0.10 0.00 0.00 179.97 180.26 1f43 h ALA 14 N 0.53 -0.64 -0.36 0.08 0.00 -0.68 1.24 119.26 119.43 1f43 h ALA 14 Ca -0.17 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.62 1f43 h ALA 14 Cb 2.00 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 19.96 1f43 h ALA 14 CO 0.20 -0.72 -0.10 0.27 0.00 0.00 0.00 179.25 178.91 1f43 h PHE 15 N -0.93 -0.21 -0.31 0.00 -5.15 0.46 0.07 116.94 110.87 1f43 h PHE 15 Ca -0.07 0.03 -0.11 0.00 -0.20 0.00 0.00 57.97 57.63 1f43 h PHE 15 Cb 0.59 0.15 -0.01 0.00 0.22 0.00 0.00 35.95 36.90 1f43 h PHE 15 CO 0.01 -0.16 -0.27 1.25 -2.00 0.00 0.00 178.31 177.14 1f43 h LEU 16 N -0.01 0.65 -0.16 2.10 5.85 -1.54 -1.72 115.31 120.47 1f43 h LEU 16 Ca 0.17 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.69 1f43 h LEU 16 Cb 0.27 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1f43 h LEU 16 CO -0.38 0.89 -0.52 -0.33 -0.34 0.00 0.00 178.44 177.76 1f43 h GLU 17 N 0.55 -0.51 -0.34 1.25 5.08 0.35 0.58 114.58 121.53 1f43 h GLU 17 Ca 0.07 0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1f43 h GLU 17 Cb 0.74 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1f43 h GLU 17 CO 0.06 -0.34 -0.07 -0.56 -1.00 0.00 0.00 179.01 177.10 1f43 h GLN 18 N -0.53 0.57 0.37 2.33 3.07 -1.27 -0.68 115.11 118.96 1f43 h GLN 18 Ca 0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 58.65 58.61 1f43 h GLN 18 Cb 0.64 -0.07 -0.00 0.00 0.08 0.00 0.00 27.48 28.13 1f43 h GLN 18 CO -0.43 0.64 -0.22 0.28 0.09 0.00 0.00 178.83 179.18 1f43 h VAL 19 N 0.53 0.00 0.00 1.86 2.07 -0.16 0.66 116.25 121.22 1f43 h VAL 19 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1f43 h VAL 19 Cb 0.45 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1f43 h VAL 19 CO 0.02 0.00 0.00 0.15 0.02 0.00 0.00 177.57 177.76 1f43 h PHE 20 N -0.55 0.00 0.05 1.57 3.04 0.08 -1.50 116.94 119.64 1f43 h PHE 20 Ca -0.05 0.00 -0.27 0.00 3.98 0.00 0.00 57.97 61.63 1f43 h PHE 20 Cb 0.44 0.00 0.02 0.00 2.56 0.00 0.00 35.95 38.97 1f43 h PHE 20 CO 0.02 0.00 -1.11 -0.09 -2.02 0.00 0.00 178.31 175.11 1f43 h ARG 21 N 0.00 0.60 -0.83 1.11 9.65 -0.44 -3.28 114.38 121.19 1f43 h ARG 21 Ca 0.00 -0.71 0.02 0.00 -1.10 0.00 0.00 59.98 58.19 1f43 h ARG 21 Cb 0.03 0.22 -0.05 0.00 -1.39 0.00 0.00 29.97 28.78 1f43 h ARG 21 CO 0.00 1.30 0.55 0.00 2.80 0.00 0.00 179.97 184.62 1f43 h ARG 22 N 0.31 1.06 0.00 0.20 3.08 0.21 -3.48 114.38 115.76 1f43 h ARG 22 Ca -0.14 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1f43 h ARG 22 Cb 1.77 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 31.58 1f43 h ARG 22 CO 0.21 0.70 0.00 0.36 -1.07 0.00 0.00 179.97 180.17 1f43 n LYS 23 N -4.53 0.00 0.00 0.04 2.85 -1.20 -5.11 118.16 110.21 1f43 n LYS 23 Ca 0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 1f43 n LYS 23 Cb 0.05 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.43 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 -2.35 -1.58 1.13 -1.26 -4.54 117.38 108.78 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 -0.06 0.00 0.00 0.11 0.00 0.00 30.24 30.30 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 -2.35 4.80 -4.62 1.08 2.88 -1.26 -4.97 113.62 109.19 1f43 n SER 25 Ca 0.00 -2.99 -0.43 0.00 -1.33 0.00 0.00 58.87 54.12 1f43 n SER 25 Cb 0.00 -1.57 -0.02 0.00 -0.75 0.00 0.00 64.21 61.86 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 1.32 3.79 0.80 2.46 1.43 -1.26 -5.00 118.68 122.22 1f43 s LEU 26 Ca 0.44 1.25 -0.06 0.00 -1.03 0.00 0.00 54.13 54.74 1f43 s LEU 26 Cb 0.07 -3.54 0.15 0.00 0.03 0.00 0.00 46.19 42.91 1f43 s LEU 26 CO -0.01 -1.26 1.10 0.54 0.23 0.00 0.00 176.35 176.95 1f43 s ASN 27 N 3.75 3.93 0.56 2.29 2.20 -1.26 -4.49 114.94 121.92 1f43 s ASN 27 Ca 0.64 -0.19 0.35 0.00 -0.94 0.00 0.00 52.86 52.72 1f43 s ASN 27 Cb -0.19 -0.07 1.48 0.00 -2.00 0.00 0.00 41.25 40.47 1f43 s ASN 27 CO 0.28 -2.16 1.75 0.28 -2.94 0.00 0.00 177.10 174.31 1f43 h SER 28 N -0.89 0.00 0.01 3.54 0.02 -1.97 1.51 113.55 115.76 1f43 h SER 28 Ca -0.39 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1f43 h SER 28 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1f43 h SER 28 CO 0.39 0.00 -0.00 0.11 -1.14 0.00 0.00 176.83 176.18 1f43 h LYS 29 N 0.00 -0.01 -0.30 3.45 1.79 -1.98 -2.78 116.57 116.74 1f43 h LYS 29 Ca 0.52 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.82 1f43 h LYS 29 Cb 2.25 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.90 1f43 h LYS 29 CO -0.01 0.79 -0.48 0.93 -1.08 0.00 0.00 179.45 179.61 1f43 h GLU 30 N -0.87 0.82 -0.54 3.15 5.08 -1.14 1.04 114.58 122.12 1f43 h GLU 30 Ca -0.00 -0.48 0.03 0.00 -1.00 0.00 0.00 59.36 57.91 1f43 h GLU 30 Cb 0.81 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 1f43 h GLU 30 CO 0.00 1.11 0.36 1.57 -1.00 0.00 0.00 179.01 181.05 1f43 h LYS 31 N 0.65 0.62 0.09 2.33 2.10 0.19 2.08 116.57 124.63 1f43 h LYS 31 Ca 0.03 -0.04 -0.35 0.00 -2.00 0.00 0.00 60.65 58.30 1f43 h LYS 31 Cb 1.06 -0.14 -0.03 0.00 -0.90 0.00 0.00 32.23 32.22 1f43 h LYS 31 CO 0.11 0.41 -1.94 -0.85 -2.00 0.00 0.00 179.45 175.17 1f43 n GLU 32 N -4.47 0.73 0.06 0.07 0.28 -1.05 -2.26 120.64 114.01 1f43 n GLU 32 Ca 0.06 0.27 -0.08 0.00 -0.16 0.00 0.00 57.16 57.24 1f43 n GLU 32 Cb 0.13 -1.72 0.05 0.00 1.43 0.00 0.00 31.44 31.33 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 0.35 0.21 3.44 4.39 0.15 -2.76 114.58 120.41 1f43 h GLU 33 Ca -0.40 -0.27 -0.33 0.00 0.34 0.00 0.00 59.36 58.70 1f43 h GLU 33 Cb 2.03 0.05 0.02 0.00 -0.10 0.00 0.00 28.75 30.76 1f43 h GLU 33 CO 0.08 0.91 -1.52 0.28 -1.16 0.00 0.00 179.01 177.61 1f43 h VAL 34 N 0.25 1.22 -0.31 3.13 2.07 0.32 -2.93 116.25 120.00 1f43 h VAL 34 Ca -0.02 -2.73 -0.03 0.00 0.82 0.00 0.00 66.70 64.74 1f43 h VAL 34 Cb 1.24 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 33.93 1f43 h VAL 34 CO 0.11 0.84 0.05 0.00 0.02 0.00 0.00 177.57 178.59 1f43 h ALA 35 N 0.25 1.52 0.00 1.67 0.00 -1.48 1.04 119.26 122.26 1f43 h ALA 35 Ca -0.26 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1f43 h ALA 35 Cb 2.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1f43 h ALA 35 CO 0.23 0.36 -0.71 1.57 0.00 0.00 0.00 179.25 180.69 1f43 h LYS 36 N 0.45 0.00 0.00 0.00 2.10 -1.59 1.31 116.57 118.84 1f43 h LYS 36 Ca 0.10 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.58 1f43 h LYS 36 Cb 0.21 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.51 1f43 h LYS 36 CO -0.00 0.00 -2.04 0.36 -2.00 0.00 0.00 179.45 175.77 1f43 n LYS 37 N -2.63 0.91 -0.08 0.07 -0.00 -0.98 -4.54 118.16 110.91 1f43 n LYS 37 Ca 0.02 -0.08 -0.09 0.00 -0.00 0.00 0.00 58.31 58.16 1f43 n LYS 37 Cb 0.52 -1.44 -0.16 0.00 -0.00 0.00 0.00 35.03 33.95 1f43 n LYS 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1f43 n GLY 39 N 1.70 1.90 0.00 0.00 0.00 -0.85 -4.77 105.19 103.17 1f43 n GLY 39 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.23 0.00 -3.78 -0.61 5.41 0.44 -4.98 119.36 115.61 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 -0.50 -0.08 0.00 -0.71 0.00 0.00 39.64 38.36 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 0.93 0.09 0.57 1.39 2.01 -1.26 -4.06 115.64 115.31 1f43 s THR 41 Ca 0.00 -0.72 0.32 0.00 0.31 0.00 0.00 61.69 61.60 1f43 s THR 41 Cb 0.00 -0.90 0.47 0.00 0.01 0.00 0.00 72.50 72.08 1f43 s THR 41 CO 0.00 -0.40 1.74 -0.65 -0.69 0.00 0.00 174.62 174.62 1f43 h PRO 42 N 3.34 0.00 0.00 4.92 0.11 -1.92 0.97 132.00 139.42 1f43 h PRO 42 Ca -0.32 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.58 1f43 h PRO 42 Cb 1.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1f43 h PRO 42 CO 0.46 0.00 -1.27 1.25 -0.21 0.00 0.00 178.00 178.24 1f43 h LEU 43 N 0.00 0.00 0.00 2.35 5.85 -1.95 -3.35 115.31 118.21 1f43 h LEU 43 Ca 0.43 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.15 1f43 h LEU 43 Cb 2.03 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.06 1f43 h LEU 43 CO -0.00 0.83 -0.12 1.56 -0.34 0.00 0.00 178.44 180.36 1f43 h GLN 44 N 0.00 0.00 -1.30 1.25 1.08 0.32 -3.15 115.11 113.32 1f43 h GLN 44 Ca -0.14 0.00 0.42 0.00 -1.45 0.00 0.00 58.65 57.48 1f43 h GLN 44 Cb 1.76 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 29.09 1f43 h GLN 44 CO 0.08 0.12 0.88 1.33 -0.95 0.00 0.00 178.83 180.29 1f43 n VAL 45 N -4.73 -0.12 -0.06 -0.54 0.24 0.14 0.30 118.33 113.56 1f43 n VAL 45 Ca -0.03 1.35 -0.06 0.00 -2.04 0.00 0.00 64.34 63.56 1f43 n VAL 45 Cb 0.11 -2.23 -0.04 0.00 -1.47 0.00 0.00 33.84 30.21 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 -0.17 7.34 0.11 -1.69 -2.85 114.38 117.11 1f43 h ARG 46 Ca 0.73 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.69 1f43 h ARG 46 Cb 2.58 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.66 1f43 h ARG 46 CO -0.23 0.31 -0.36 -0.39 0.10 0.00 0.00 179.97 179.40 1f43 h VAL 47 N -1.00 1.34 0.47 0.08 -1.51 -0.57 -2.00 116.25 113.06 1f43 h VAL 47 Ca -0.03 -1.61 -0.02 0.00 -1.23 0.00 0.00 66.70 63.82 1f43 h VAL 47 Cb 0.41 1.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 1f43 h VAL 47 CO -0.02 0.49 -0.23 -0.25 -1.23 0.00 0.00 177.57 176.34 1f43 h TRP 48 N 0.19 -0.59 0.00 5.19 7.01 0.43 -2.18 115.95 126.00 1f43 h TRP 48 Ca 0.00 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 1f43 h TRP 48 Cb 0.96 0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 28.21 1f43 h TRP 48 CO 0.10 -0.33 -0.03 0.74 -2.79 0.00 0.00 178.44 176.13 1f43 h PHE 49 N -0.71 0.00 0.16 2.65 0.04 -1.53 0.26 116.94 117.81 1f43 h PHE 49 Ca -0.06 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.70 1f43 h PHE 49 Cb 0.53 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1f43 h PHE 49 CO -0.03 0.03 -0.08 0.82 -0.60 0.00 0.00 178.31 178.46 1f43 h ILE 50 N 0.00 0.94 0.11 -0.55 1.08 -0.74 1.77 117.51 120.13 1f43 h ILE 50 Ca -0.00 -0.47 -0.27 0.00 -0.39 0.00 0.00 64.86 63.74 1f43 h ILE 50 Cb 0.16 1.23 0.00 0.00 -3.07 0.00 0.00 36.82 35.14 1f43 h ILE 50 CO 0.00 0.11 -1.21 0.78 -0.69 0.00 0.00 178.15 177.14 1f43 h ASN 51 N -0.44 0.40 1.33 1.72 4.21 -1.06 0.57 115.58 122.31 1f43 h ASN 51 Ca -0.02 -0.42 -0.14 0.00 1.21 0.00 0.00 56.30 56.93 1f43 h ASN 51 Cb 0.34 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.39 1f43 h ASN 51 CO 0.04 1.32 -0.67 0.11 -1.29 0.00 0.00 177.43 176.94 1f43 h LYS 52 N 0.07 0.00 -0.29 0.81 6.56 -0.51 -3.35 116.57 119.87 1f43 h LYS 52 Ca -0.12 0.00 -0.24 0.00 -1.06 0.00 0.00 60.65 59.23 1f43 h LYS 52 Cb 1.94 0.00 -0.34 0.00 -0.57 0.00 0.00 32.23 33.26 1f43 h LYS 52 CO 0.20 0.64 -0.94 -2.13 -2.06 0.00 0.00 179.45 175.15 1f43 n ARG 53 N -3.25 1.52 -1.49 3.15 0.63 0.60 -5.00 116.66 112.83 1f43 n ARG 53 Ca 0.01 -3.14 -0.13 0.00 -0.92 0.00 0.00 57.85 53.68 1f43 n ARG 53 Cb 0.80 -1.24 -0.10 0.00 0.45 0.00 0.00 32.46 32.37 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 -0.37 0.23 -0.03 -0.14 1.56 0.20 -4.68 117.12 113.90 1f43 n MET 54 Ca 0.15 -0.97 -0.15 0.00 -0.27 0.00 0.00 57.70 56.47 1f43 n MET 54 Cb 0.92 -3.11 -0.10 0.00 2.15 0.00 0.00 33.22 33.09 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 11.61 0.28 0.00 2.12 2.47 -1.87 -3.48 114.38 125.51 1f43 h ARG 55 Ca 0.00 -0.22 -0.04 0.00 -1.26 0.00 0.00 59.98 58.47 1f43 h ARG 55 Cb 1.02 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.37 1f43 h ARG 55 CO 1.08 0.86 -0.03 0.43 0.56 0.00 0.00 179.97 182.87 1f43 n SER 56 N -4.49 -0.06 -0.13 7.04 7.64 -1.26 -5.27 113.62 117.08 1f43 n SER 56 Ca -0.08 -1.17 0.15 0.00 1.01 0.00 0.00 58.87 58.78 1f43 n SER 56 Cb 0.47 0.13 0.83 0.00 -1.01 0.00 0.00 64.21 64.63 1f43 n SER 56 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32