#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxh h SER 5 N 0.00 0.00 -0.70 -3.46 0.02 -2.06 -2.77 113.55 104.58 3cxh h SER 5 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3cxh h SER 5 Cb 0.00 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3cxh h SER 5 CO 0.00 0.11 0.37 0.25 -1.14 0.00 0.00 176.83 176.42 3cxh h LEU 6 N 0.00 0.90 -0.00 5.07 5.85 -2.07 -1.88 115.31 123.18 3cxh h LEU 6 Ca -0.00 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 3cxh h LEU 6 Cb 0.61 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3cxh h LEU 6 CO 0.01 0.75 -0.23 0.22 -0.34 0.00 0.00 178.44 178.85 3cxh h TYR 7 N 1.01 0.24 -0.99 1.25 5.03 -1.96 -3.33 116.97 118.21 3cxh h TYR 7 Ca 0.25 -0.13 0.11 0.00 2.58 0.00 0.00 58.73 61.54 3cxh h TYR 7 Cb 0.06 -0.03 -0.08 0.00 1.55 0.00 0.00 36.73 38.24 3cxh h TYR 7 CO 0.01 0.92 0.63 0.87 -1.32 0.00 0.00 178.16 179.27 3cxh h LYS 8 N -0.51 0.98 0.00 1.82 1.57 -1.33 -1.20 116.57 117.90 3cxh h LYS 8 Ca -0.03 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3cxh h LYS 8 Cb 0.99 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.07 3cxh h LYS 8 CO 0.05 0.65 -0.02 1.79 -0.57 0.00 0.00 179.45 181.35 3cxh h THR 9 N 1.01 0.38 0.00 -0.16 1.35 -1.45 0.82 112.91 114.86 3cxh h THR 9 Ca 0.48 -0.08 -0.36 0.00 -0.55 0.00 0.00 66.41 65.90 3cxh h THR 9 Cb 0.43 1.05 -0.06 0.00 -1.73 0.00 0.00 68.15 67.84 3cxh h THR 9 CO -0.24 0.01 -2.37 0.49 -0.25 0.00 0.00 175.52 173.17 3cxh n PHE 10 N -3.60 0.00 0.01 4.73 3.72 -0.59 -4.81 117.46 116.93 3cxh n PHE 10 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3cxh n PHE 10 Cb 0.10 -0.92 -0.00 0.00 -0.94 0.00 0.00 39.48 37.71 3cxh n PHE 10 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3cxh n PHE 11 N -3.24 0.00 -3.30 1.38 3.72 -0.56 -5.10 117.46 110.36 3cxh n PHE 11 Ca -0.43 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 56.78 3cxh n PHE 11 Cb 0.95 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 39.50 3cxh n PHE 11 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3cxh n LYS 12 N -1.29 -1.39 -0.29 -1.08 5.02 0.28 -2.61 118.16 116.79 3cxh n LYS 12 Ca -0.00 1.29 0.00 0.00 -2.02 0.00 0.00 58.31 57.58 3cxh n LYS 12 Cb 0.01 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 32.98 3cxh n LYS 12 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3cxh n ARG 13 N 0.45 0.00 -3.79 1.97 1.85 -1.26 -4.93 116.66 110.94 3cxh n ARG 13 Ca -0.03 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.54 3cxh n ARG 13 Cb 0.56 -3.23 -0.03 0.00 -1.05 0.00 0.00 32.46 28.70 3cxh n ARG 13 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 3cxh s ASN 14 N -1.32 6.38 0.55 2.89 0.02 -1.07 -5.09 114.94 117.30 3cxh s ASN 14 Ca 0.00 0.33 -0.10 0.00 -1.02 0.00 0.00 52.86 52.08 3cxh s ASN 14 Cb 0.00 -1.98 -0.04 0.00 0.02 0.00 0.00 41.25 39.24 3cxh s ASN 14 CO 0.00 0.02 0.93 0.00 0.02 0.00 0.00 177.10 178.07 3cxh s ALA 15 N -1.77 3.21 0.22 0.60 0.00 -1.26 -4.86 121.76 117.90 3cxh s ALA 15 Ca 0.37 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 51.83 3cxh s ALA 15 Cb -0.11 -2.91 -0.10 0.00 0.00 0.00 0.00 23.12 20.00 3cxh s ALA 15 CO 0.28 -0.50 1.40 0.08 0.00 0.00 0.00 175.76 177.02 3cxh s VAL 16 N -2.95 2.87 0.50 0.00 1.01 -1.26 -5.01 120.40 115.56 3cxh s VAL 16 Ca 0.53 0.72 -0.13 0.00 0.00 0.00 0.00 61.98 63.10 3cxh s VAL 16 Cb -0.11 -3.46 -0.06 0.00 0.00 0.00 0.00 36.38 32.75 3cxh s VAL 16 CO 0.48 0.11 0.91 -0.36 0.00 0.00 0.00 175.10 176.24 3cxh s PHE 17 N 0.11 3.50 0.17 5.22 2.99 -1.26 -4.88 117.98 123.82 3cxh s PHE 17 Ca 0.59 1.25 -0.23 0.00 0.00 0.00 0.00 56.93 58.55 3cxh s PHE 17 Cb -0.40 -2.63 0.07 0.00 0.00 0.00 0.00 43.02 40.05 3cxh s PHE 17 CO 0.41 -0.34 1.60 -0.39 -0.00 0.00 0.00 175.22 176.49 3cxh h VAL 18 N 0.67 0.24 -0.70 -0.44 -1.51 -1.98 -0.55 116.25 111.98 3cxh h VAL 18 Ca -0.46 0.00 0.15 0.00 -1.23 0.00 0.00 66.70 65.16 3cxh h VAL 18 Cb 1.19 0.24 -0.13 0.00 -2.13 0.00 0.00 31.29 30.46 3cxh h VAL 18 CO 0.62 0.00 -0.08 1.23 -1.23 0.00 0.00 177.57 178.12 3cxh h GLY 19 N -0.24 0.66 0.96 5.19 0.00 -1.99 0.47 103.07 108.12 3cxh h GLY 19 Ca 0.18 0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.59 3cxh h GLY 19 CO -0.54 -0.26 -0.03 -0.84 0.00 0.00 0.00 176.54 174.87 3cxh h THR 20 N 0.06 1.27 0.03 4.70 2.02 -1.76 0.85 112.91 120.07 3cxh h THR 20 Ca 0.36 -1.07 0.03 0.00 0.77 0.00 0.00 66.41 66.50 3cxh h THR 20 Cb 0.60 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 3cxh h THR 20 CO -0.66 0.36 -0.21 0.40 0.37 0.00 0.00 175.52 175.78 3cxh h ILE 21 N 0.57 0.51 -0.10 3.11 1.08 0.70 0.46 117.51 123.85 3cxh h ILE 21 Ca 0.11 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.60 3cxh h ILE 21 Cb 0.52 0.51 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 3cxh h ILE 21 CO 0.03 0.00 -0.01 -0.26 -0.69 0.00 0.00 178.15 177.22 3cxh h PHE 22 N -0.35 -0.02 -0.77 1.37 0.04 -0.05 0.83 116.94 117.99 3cxh h PHE 22 Ca 0.05 0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.92 3cxh h PHE 22 Cb 0.41 0.02 -0.07 0.00 2.20 0.00 0.00 35.95 38.52 3cxh h PHE 22 CO -0.24 -0.02 0.43 0.00 -0.60 0.00 0.00 178.31 177.87 3cxh h ALA 23 N 1.09 1.09 -0.40 2.45 0.00 -0.42 -0.77 119.26 122.30 3cxh h ALA 23 Ca 0.05 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3cxh h ALA 23 Cb 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3cxh h ALA 23 CO -0.09 0.05 -0.08 0.78 0.00 0.00 0.00 179.25 179.91 3cxh h GLY 24 N 0.72 0.74 1.18 0.00 0.00 0.69 -2.56 103.07 103.84 3cxh h GLY 24 Ca 0.37 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3cxh h GLY 24 CO -0.25 0.48 0.44 0.00 0.00 0.00 0.00 176.54 177.22 3cxh h ALA 25 N 1.28 1.30 -0.49 3.60 0.00 0.58 0.63 119.26 126.17 3cxh h ALA 25 Ca 0.12 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3cxh h ALA 25 Cb 0.52 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3cxh h ALA 25 CO 0.03 0.58 -0.12 0.74 0.00 0.00 0.00 179.25 180.47 3cxh h PHE 26 N 1.09 1.06 -0.28 0.00 0.05 -0.98 -1.52 116.94 116.36 3cxh h PHE 26 Ca 0.28 -0.23 -0.07 0.00 3.82 0.00 0.00 57.97 61.77 3cxh h PHE 26 Cb 0.01 -0.26 -0.01 0.00 2.00 0.00 0.00 35.95 37.69 3cxh h PHE 26 CO 0.01 1.02 -0.09 0.28 -0.18 0.00 0.00 178.31 179.35 3cxh h VAL 27 N 0.80 1.29 -0.74 -0.55 2.07 -1.17 -3.14 116.25 114.80 3cxh h VAL 27 Ca 0.12 -1.13 0.04 0.00 0.82 0.00 0.00 66.70 66.55 3cxh h VAL 27 Cb 0.68 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 3cxh h VAL 27 CO 0.05 0.36 0.45 0.15 0.02 0.00 0.00 177.57 178.60 3cxh h PHE 28 N 0.31 0.84 0.03 1.57 3.57 -0.75 -2.47 116.94 120.04 3cxh h PHE 28 Ca 0.07 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.61 3cxh h PHE 28 Cb 0.58 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 3cxh h PHE 28 CO 0.05 0.46 -0.16 1.96 -2.23 0.00 0.00 178.31 178.39 3cxh h GLN 29 N 0.87 -0.27 0.72 1.11 4.20 -1.23 0.13 115.11 120.63 3cxh h GLN 29 Ca 0.31 0.02 -0.03 0.00 0.06 0.00 0.00 58.65 59.00 3cxh h GLN 29 Cb 0.08 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3cxh h GLN 29 CO -0.13 -0.18 -0.44 1.15 -0.67 0.00 0.00 178.83 178.56 3cxh h THR 30 N -0.28 0.12 -0.69 -0.54 2.02 -1.54 -1.21 112.91 110.78 3cxh h THR 30 Ca 0.04 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.25 3cxh h THR 30 Cb 0.34 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 3cxh h THR 30 CO -0.14 0.00 0.44 0.58 0.37 0.00 0.00 175.52 176.77 3cxh h VAL 31 N -1.09 1.11 -0.50 3.16 2.07 -1.42 -2.31 116.25 117.28 3cxh h VAL 31 Ca -0.09 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.05 3cxh h VAL 31 Cb 0.87 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3cxh h VAL 31 CO 0.10 0.16 -0.01 0.15 0.02 0.00 0.00 177.57 177.99 3cxh h PHE 32 N 0.87 0.97 0.01 1.57 3.57 -0.72 -2.28 116.94 120.93 3cxh h PHE 32 Ca 0.27 -0.17 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 3cxh h PHE 32 Cb -0.01 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.48 3cxh h PHE 32 CO -0.04 0.91 -0.01 0.22 -2.23 0.00 0.00 178.31 177.17 3cxh h ASP 33 N 0.75 -0.02 -0.24 0.41 3.58 -0.96 -1.48 116.42 118.46 3cxh h ASP 33 Ca 0.14 -0.07 0.05 0.00 0.42 0.00 0.00 57.03 57.57 3cxh h ASP 33 Cb 0.53 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.54 3cxh h ASP 33 CO 0.03 0.05 -0.06 0.74 -2.88 0.00 0.00 179.24 177.12 3cxh h THR 34 N -0.09 0.76 -0.99 2.25 2.02 -1.41 0.07 112.91 115.52 3cxh h THR 34 Ca -0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 3cxh h THR 34 Cb 0.08 0.76 -0.06 0.00 -1.74 0.00 0.00 68.15 67.19 3cxh h THR 34 CO 0.00 0.00 0.65 0.00 0.37 0.00 0.00 175.52 176.54 3cxh h ALA 35 N 1.24 1.34 -0.07 6.16 0.00 -1.23 0.31 119.26 127.01 3cxh h ALA 35 Ca 0.12 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3cxh h ALA 35 Cb 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3cxh h ALA 35 CO -0.25 0.57 -0.22 0.82 0.00 0.00 0.00 179.25 180.17 3cxh h ILE 36 N 1.27 1.42 -0.73 0.00 1.08 -0.83 -1.68 117.51 118.05 3cxh h ILE 36 Ca 0.39 -1.58 0.01 0.00 -0.39 0.00 0.00 64.86 63.29 3cxh h ILE 36 Cb -0.03 2.26 -0.04 0.00 -3.07 0.00 0.00 36.82 35.94 3cxh h ILE 36 CO -0.11 0.45 0.48 0.74 -0.69 0.00 0.00 178.15 179.02 3cxh h THR 37 N -0.21 1.18 0.00 -0.27 2.02 -0.73 0.21 112.91 115.11 3cxh h THR 37 Ca -0.01 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 3cxh h THR 37 Cb 0.84 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3cxh h THR 37 CO 0.05 0.18 -0.00 -1.28 0.37 0.00 0.00 175.52 174.83 3cxh h SER 38 N 0.98 -0.01 -0.26 4.18 0.87 -0.97 0.23 113.55 118.58 3cxh h SER 38 Ca 0.27 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.81 3cxh h SER 38 Cb -0.11 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 3cxh h SER 38 CO -0.06 -0.00 0.09 -0.25 -0.53 0.00 0.00 176.83 176.07 3cxh h TRP 39 N -0.01 0.41 -0.14 2.24 7.01 -0.85 -2.34 115.95 122.28 3cxh h TRP 39 Ca -0.00 -0.04 0.01 0.00 2.11 0.00 0.00 58.89 60.97 3cxh h TRP 39 Cb 0.01 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 3cxh h TRP 39 CO -0.08 0.44 0.07 -0.92 -2.79 0.00 0.00 178.44 175.16 3cxh h TYR 40 N 0.26 0.13 -0.70 2.65 3.20 -0.40 -1.03 116.97 121.09 3cxh h TYR 40 Ca 0.08 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 3cxh h TYR 40 Cb 0.22 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3cxh h TYR 40 CO 0.00 0.08 0.20 0.93 -1.64 0.00 0.00 178.16 177.73 3cxh h GLU 41 N 0.15 1.08 -0.54 1.82 5.08 -0.52 -2.45 114.58 119.20 3cxh h GLU 41 Ca 0.06 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 3cxh h GLU 41 Cb 0.01 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3cxh h GLU 41 CO -0.04 0.93 -0.03 -0.97 -1.00 0.00 0.00 179.01 177.90 3cxh h ASN 42 N 1.04 0.97 0.21 1.42 -1.24 -1.26 -2.07 115.58 114.64 3cxh h ASN 42 Ca 0.22 -0.32 -0.02 0.00 0.71 0.00 0.00 56.30 56.89 3cxh h ASN 42 Cb 0.31 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 39.10 3cxh h ASN 42 CO -0.00 1.05 -0.11 -0.74 -1.29 0.00 0.00 177.43 176.34 3cxh h HIS 43 N 0.85 0.00 -0.70 0.67 2.76 -0.99 -2.62 115.15 115.13 3cxh h HIS 43 Ca 0.15 0.00 -0.43 0.00 -2.20 0.00 0.00 60.37 57.89 3cxh h HIS 43 Cb 0.58 0.00 -0.24 0.00 1.55 0.00 0.00 27.41 29.29 3cxh h HIS 43 CO 0.04 0.11 0.16 0.09 -1.30 0.00 0.00 177.93 177.04 3cxh n ASN 44 N -3.97 4.30 -4.74 3.26 3.02 -0.82 -5.03 115.26 111.29 3cxh n ASN 44 Ca -0.02 -3.75 -0.41 0.00 -0.03 0.00 0.00 54.58 50.36 3cxh n ASN 44 Cb 0.20 -0.71 -0.03 0.00 -0.61 0.00 0.00 39.78 38.64 3cxh n ASN 44 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3cxh s LYS 45 N -3.45 4.29 0.00 3.52 2.20 -0.95 -2.39 119.74 122.95 3cxh s LYS 45 Ca 0.53 2.25 0.00 0.00 -0.36 0.00 0.00 55.97 58.38 3cxh s LYS 45 Cb 0.45 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.63 3cxh s LYS 45 CO 0.02 -0.41 0.00 0.41 -0.36 0.00 0.00 175.35 175.01 3cxh n GLY 46 N 2.53 3.37 0.10 5.54 0.00 -1.26 -4.85 105.19 110.61 3cxh n GLY 46 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 3cxh n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cxh n LYS 47 N -1.71 0.68 -1.31 1.61 5.02 -1.01 -4.64 118.16 116.81 3cxh n LYS 47 Ca 0.00 0.07 -0.33 0.00 -2.02 0.00 0.00 58.31 56.02 3cxh n LYS 47 Cb 0.00 -1.59 0.10 0.00 -0.02 0.00 0.00 35.03 33.53 3cxh n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3cxh s LEU 48 N -5.67 3.22 0.22 -0.35 1.02 -1.21 -4.85 118.68 111.06 3cxh s LEU 48 Ca -0.09 2.28 -0.06 0.00 0.02 0.00 0.00 54.13 56.27 3cxh s LEU 48 Cb 0.07 -4.58 0.20 0.00 0.02 0.00 0.00 46.19 41.89 3cxh s LEU 48 CO 0.82 -2.36 1.75 -0.25 0.02 0.00 0.00 176.35 176.33 3cxh h TRP 49 N -0.60 1.12 -0.14 0.29 2.91 -1.96 -1.98 115.95 115.58 3cxh h TRP 49 Ca -0.47 -0.12 -0.01 0.00 1.13 0.00 0.00 58.89 59.42 3cxh h TRP 49 Cb 1.28 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 29.61 3cxh h TRP 49 CO 0.49 0.90 0.03 1.57 -1.03 0.00 0.00 178.44 180.40 3cxh h LYS 50 N 1.02 0.20 -0.03 2.65 2.10 -1.99 0.37 116.57 120.89 3cxh h LYS 50 Ca 0.22 -0.02 -0.25 0.00 -2.00 0.00 0.00 60.65 58.60 3cxh h LYS 50 Cb 0.34 -0.04 0.02 0.00 -0.90 0.00 0.00 32.23 31.64 3cxh h LYS 50 CO -0.00 0.19 -0.97 -0.44 -2.00 0.00 0.00 179.45 176.23 3cxh h ASP 51 N 0.20 0.86 0.30 7.07 3.45 -1.84 -3.06 116.42 123.39 3cxh h ASP 51 Ca 0.05 -0.66 -0.16 0.00 0.43 0.00 0.00 57.03 56.69 3cxh h ASP 51 Cb 0.09 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.59 3cxh h ASP 51 CO -0.00 1.46 -0.65 0.58 -1.57 0.00 0.00 179.24 179.06 3cxh h VAL 52 N 0.40 1.38 -0.47 -1.35 2.07 -0.61 -2.99 116.25 114.68 3cxh h VAL 52 Ca -0.11 -2.03 -0.04 0.00 0.82 0.00 0.00 66.70 65.34 3cxh h VAL 52 Cb 1.61 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 33.39 3cxh h VAL 52 CO 0.19 0.61 0.12 0.50 0.02 0.00 0.00 177.57 179.01 3cxh h LYS 53 N 0.24 0.70 -0.58 1.57 3.64 -0.32 -0.79 116.57 121.03 3cxh h LYS 53 Ca -0.01 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.13 3cxh h LYS 53 Cb 1.18 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 3cxh h LYS 53 CO 0.11 0.63 -0.06 0.00 -2.27 0.00 0.00 179.45 177.86 3cxh h ALA 54 N 1.46 0.78 0.66 5.00 0.00 -1.44 -3.19 119.26 122.53 3cxh h ALA 54 Ca 0.16 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3cxh h ALA 54 Cb 0.24 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.83 3cxh h ALA 54 CO -0.00 0.67 -0.32 0.00 0.00 0.00 0.00 179.25 179.60 3cxh h ARG 55 N 0.95 -0.86 -5.72 0.00 3.08 -1.25 -3.37 114.38 107.22 3cxh h ARG 55 Ca 0.16 0.06 -0.34 0.00 0.07 0.00 0.00 59.98 59.93 3cxh h ARG 55 Cb 0.63 0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.85 3cxh h ARG 55 CO 0.04 -0.54 0.96 0.42 -1.07 0.00 0.00 179.97 179.79 3cxh s ILE 56 N -5.44 3.26 0.00 2.04 -1.09 -0.37 -4.65 121.20 114.96 3cxh s ILE 56 Ca -0.16 -0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.20 3cxh s ILE 56 Cb 0.02 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 3cxh s ILE 56 CO 0.55 -0.60 0.84 0.00 -1.23 0.00 0.00 174.94 174.50 3cxh n ALA 57 N 14.79 1.72 -1.62 9.38 0.00 -1.26 -4.85 120.51 138.66 3cxh n ALA 57 Ca 0.34 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3cxh n ALA 57 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3cxh n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50