#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cx5 s PHE 3 N 0.00 2.64 0.15 0.66 5.99 -1.26 -5.05 117.98 121.10 3cx5 s PHE 3 Ca 0.00 -0.35 -0.21 0.00 0.00 0.00 0.00 56.93 56.37 3cx5 s PHE 3 Cb 0.00 -1.64 0.03 0.00 0.00 0.00 0.00 43.02 41.41 3cx5 s PHE 3 CO 0.00 0.04 1.65 1.03 -0.00 0.00 0.00 175.22 177.94 3cx5 h SER 4 N 5.68 -0.55 -0.30 6.13 0.87 -2.04 -1.61 113.55 121.74 3cx5 h SER 4 Ca -0.41 0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.23 3cx5 h SER 4 Cb 1.16 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 63.38 3cx5 h SER 4 CO 0.50 -0.21 0.06 0.28 -0.53 0.00 0.00 176.83 176.93 3cx5 h SER 5 N -0.16 0.55 -0.59 6.23 0.02 -1.98 -0.66 113.55 116.96 3cx5 h SER 5 Ca 0.14 -0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 60.90 3cx5 h SER 5 Cb 0.37 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3cx5 h SER 5 CO -0.34 0.58 0.02 0.25 -1.14 0.00 0.00 176.83 176.19 3cx5 h LEU 6 N 0.57 1.02 -0.27 5.07 5.85 -1.87 -1.88 115.31 123.80 3cx5 h LEU 6 Ca 0.13 -0.28 -0.09 0.00 0.84 0.00 0.00 57.88 58.48 3cx5 h LEU 6 Cb 0.28 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3cx5 h LEU 6 CO 0.00 1.06 -0.17 0.22 -0.34 0.00 0.00 178.44 179.21 3cx5 h TYR 7 N 0.96 0.69 -0.35 1.25 5.03 -0.87 -3.22 116.97 120.47 3cx5 h TYR 7 Ca 0.18 -0.18 -0.02 0.00 2.58 0.00 0.00 58.73 61.28 3cx5 h TYR 7 Cb 0.53 -0.16 -0.02 0.00 1.55 0.00 0.00 36.73 38.64 3cx5 h TYR 7 CO 0.04 0.86 0.13 0.87 -1.32 0.00 0.00 178.16 178.74 3cx5 h LYS 8 N 0.33 0.49 0.00 1.82 1.57 -0.95 -0.17 116.57 119.66 3cx5 h LYS 8 Ca 0.06 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3cx5 h LYS 8 Cb 0.70 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3cx5 h LYS 8 CO 0.05 0.42 -0.21 1.79 -0.57 0.00 0.00 179.45 180.93 3cx5 h THR 9 N 0.49 0.85 0.03 -0.16 1.35 -1.35 0.13 112.91 114.25 3cx5 h THR 9 Ca 0.12 -0.79 -0.37 0.00 -0.55 0.00 0.00 66.41 64.82 3cx5 h THR 9 Cb 0.11 1.47 -0.06 0.00 -1.73 0.00 0.00 68.15 67.94 3cx5 h THR 9 CO -0.01 0.20 -2.29 0.49 -0.25 0.00 0.00 175.52 173.66 3cx5 n PHE 10 N -3.86 0.38 -0.31 4.73 3.72 -0.88 -4.75 117.46 116.50 3cx5 n PHE 10 Ca -0.02 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 3cx5 n PHE 10 Cb 0.30 -1.05 0.00 0.00 -0.94 0.00 0.00 39.48 37.78 3cx5 n PHE 10 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3cx5 n PHE 11 N -3.20 0.00 0.00 1.38 3.72 -0.13 -5.11 117.46 114.12 3cx5 n PHE 11 Ca -0.38 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 3cx5 n PHE 11 Cb 1.04 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.58 3cx5 n PHE 11 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3cx5 n LYS 12 N -0.12 0.00 -0.37 -1.08 4.76 0.44 -2.14 118.16 119.64 3cx5 n LYS 12 Ca 0.00 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.52 3cx5 n LYS 12 Cb 0.08 0.00 0.23 0.00 -1.84 0.00 0.00 35.03 33.50 3cx5 n LYS 12 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 3cx5 n ARG 13 N 13.90 3.00 -3.84 1.97 1.85 -1.26 -4.24 116.66 128.04 3cx5 n ARG 13 Ca 0.00 -2.58 -0.28 0.00 -1.00 0.00 0.00 57.85 53.99 3cx5 n ARG 13 Cb 0.00 -1.66 -0.03 0.00 -1.05 0.00 0.00 32.46 29.72 3cx5 n ARG 13 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 3cx5 s ASN 14 N -1.53 6.37 0.81 2.89 0.02 -0.91 -5.10 114.94 117.49 3cx5 s ASN 14 Ca 0.36 0.29 -0.12 0.00 -1.02 0.00 0.00 52.86 52.38 3cx5 s ASN 14 Cb 0.27 -1.96 0.08 0.00 0.02 0.00 0.00 41.25 39.65 3cx5 s ASN 14 CO 0.12 0.05 1.13 0.00 0.02 0.00 0.00 177.10 178.41 3cx5 s ALA 15 N -1.73 2.33 0.11 0.60 0.00 -1.26 -4.86 121.76 116.95 3cx5 s ALA 15 Ca 0.36 -0.42 -0.30 0.00 0.00 0.00 0.00 51.96 51.60 3cx5 s ALA 15 Cb -0.11 -3.04 -0.06 0.00 0.00 0.00 0.00 23.12 19.91 3cx5 s ALA 15 CO 0.28 -1.76 1.12 0.08 0.00 0.00 0.00 175.76 175.48 3cx5 s VAL 16 N -3.33 4.10 0.50 0.00 1.01 -1.26 -5.02 120.40 116.39 3cx5 s VAL 16 Ca 0.61 1.63 -0.18 0.00 0.00 0.00 0.00 61.98 64.05 3cx5 s VAL 16 Cb -0.13 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 32.12 3cx5 s VAL 16 CO 0.52 0.20 0.99 -0.36 0.00 0.00 0.00 175.10 176.46 3cx5 s PHE 17 N 0.45 3.27 0.30 5.22 2.99 -1.26 -4.88 117.98 124.07 3cx5 s PHE 17 Ca 0.53 1.53 0.06 0.00 0.00 0.00 0.00 56.93 59.06 3cx5 s PHE 17 Cb -0.28 -2.89 0.79 0.00 0.00 0.00 0.00 43.02 40.64 3cx5 s PHE 17 CO 0.32 -0.48 1.73 -0.39 -0.00 0.00 0.00 175.22 176.40 3cx5 h VAL 18 N 1.23 0.57 -0.69 -0.44 -1.51 -1.99 -1.04 116.25 112.39 3cx5 h VAL 18 Ca -0.48 -0.20 0.04 0.00 -1.23 0.00 0.00 66.70 64.83 3cx5 h VAL 18 Cb 1.19 -0.05 -0.05 0.00 -2.13 0.00 0.00 31.29 30.25 3cx5 h VAL 18 CO 0.60 0.10 0.42 1.23 -1.23 0.00 0.00 177.57 178.70 3cx5 h GLY 19 N 0.57 1.00 1.81 5.19 0.00 -2.00 -0.40 103.07 109.24 3cx5 h GLY 19 Ca 0.60 -0.31 -0.18 0.00 0.00 0.00 0.00 47.33 47.43 3cx5 h GLY 19 CO -0.46 0.25 -0.79 -0.84 0.00 0.00 0.00 176.54 174.70 3cx5 h THR 20 N 0.81 1.47 0.01 4.70 2.02 -1.63 -2.31 112.91 117.99 3cx5 h THR 20 Ca 0.28 -2.44 -0.00 0.00 0.77 0.00 0.00 66.41 65.02 3cx5 h THR 20 Cb 0.06 2.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.80 3cx5 h THR 20 CO -0.12 0.71 -0.01 0.40 0.37 0.00 0.00 175.52 176.87 3cx5 h ILE 21 N 0.11 1.10 -0.77 3.11 1.08 -0.75 0.02 117.51 121.41 3cx5 h ILE 21 Ca -0.03 -0.33 -0.02 0.00 -0.39 0.00 0.00 64.86 64.09 3cx5 h ILE 21 Cb 1.37 1.32 -0.04 0.00 -3.07 0.00 0.00 36.82 36.41 3cx5 h ILE 21 CO 0.12 0.09 0.39 -0.26 -0.69 0.00 0.00 178.15 177.79 3cx5 h PHE 22 N -0.16 1.09 -0.52 1.37 0.04 -1.09 -0.66 116.94 117.01 3cx5 h PHE 22 Ca -0.00 -0.05 -0.08 0.00 2.80 0.00 0.00 57.97 60.64 3cx5 h PHE 22 Cb 0.15 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 37.94 3cx5 h PHE 22 CO -0.03 0.79 0.01 0.00 -0.60 0.00 0.00 178.31 178.48 3cx5 h ALA 23 N 1.20 1.03 -0.21 2.45 0.00 -1.28 -2.44 119.26 120.00 3cx5 h ALA 23 Ca 0.27 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3cx5 h ALA 23 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3cx5 h ALA 23 CO -0.04 0.60 -0.47 0.78 0.00 0.00 0.00 179.25 180.13 3cx5 h GLY 24 N 0.99 0.58 1.59 0.00 0.00 -0.60 -2.92 103.07 102.71 3cx5 h GLY 24 Ca 0.16 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 3cx5 h GLY 24 CO 0.02 0.56 -0.02 0.00 0.00 0.00 0.00 176.54 177.10 3cx5 h ALA 25 N 1.07 1.36 -0.32 3.60 0.00 -0.84 0.19 119.26 124.32 3cx5 h ALA 25 Ca 0.03 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 3cx5 h ALA 25 Cb 0.98 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3cx5 h ALA 25 CO 0.09 0.44 -0.08 0.74 0.00 0.00 0.00 179.25 180.44 3cx5 h PHE 26 N 0.49 0.69 -0.39 0.00 0.05 -1.33 -1.36 116.94 115.09 3cx5 h PHE 26 Ca 0.10 -0.15 -0.09 0.00 3.82 0.00 0.00 57.97 61.66 3cx5 h PHE 26 Cb 0.34 -0.17 -0.01 0.00 2.00 0.00 0.00 35.95 38.11 3cx5 h PHE 26 CO 0.01 0.79 -0.09 0.28 -0.18 0.00 0.00 178.31 179.12 3cx5 h VAL 27 N 0.39 1.28 -0.36 -0.55 2.07 -1.30 -3.08 116.25 114.70 3cx5 h VAL 27 Ca 0.08 -1.18 0.05 0.00 0.82 0.00 0.00 66.70 66.47 3cx5 h VAL 27 Cb 0.57 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3cx5 h VAL 27 CO 0.03 0.39 0.10 0.15 0.02 0.00 0.00 177.57 178.26 3cx5 h PHE 28 N 0.55 0.17 -0.86 1.57 3.57 -0.54 -2.21 116.94 119.19 3cx5 h PHE 28 Ca 0.10 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.74 3cx5 h PHE 28 Cb 0.61 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.25 3cx5 h PHE 28 CO 0.05 0.05 0.48 0.37 -2.23 0.00 0.00 178.31 177.04 3cx5 h GLN 29 N 0.23 0.73 0.29 1.11 4.15 -1.17 0.13 115.11 120.59 3cx5 h GLN 29 Ca 0.17 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 3cx5 h GLN 29 Cb 0.17 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3cx5 h GLN 29 CO -0.19 0.48 -0.14 1.15 -1.93 0.00 0.00 178.83 178.20 3cx5 h THR 30 N 0.75 0.55 -0.69 2.39 2.02 -1.39 -2.71 112.91 113.84 3cx5 h THR 30 Ca 0.44 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 3cx5 h THR 30 Cb 0.51 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 3cx5 h THR 30 CO -0.30 0.13 0.39 0.58 0.37 0.00 0.00 175.52 176.69 3cx5 h VAL 31 N -0.93 1.21 -0.51 3.16 2.07 -1.30 -2.42 116.25 117.53 3cx5 h VAL 31 Ca -0.04 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 3cx5 h VAL 31 Cb 0.51 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3cx5 h VAL 31 CO 0.07 0.22 0.20 0.15 0.02 0.00 0.00 177.57 178.23 3cx5 h PHE 32 N 0.94 0.78 -0.48 1.57 3.57 -0.85 -1.76 116.94 120.70 3cx5 h PHE 32 Ca 0.24 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 3cx5 h PHE 32 Cb 0.01 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 3cx5 h PHE 32 CO -0.01 0.65 0.22 0.22 -2.23 0.00 0.00 178.31 177.16 3cx5 h ASP 33 N 0.68 0.64 -0.46 0.41 3.58 -1.28 -1.45 116.42 118.54 3cx5 h ASP 33 Ca 0.17 -0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 3cx5 h ASP 33 Cb 0.20 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 3cx5 h ASP 33 CO -0.01 0.60 0.17 0.74 -2.88 0.00 0.00 179.24 177.86 3cx5 h THR 34 N 0.63 1.21 -0.30 2.25 2.02 -1.34 -1.22 112.91 116.18 3cx5 h THR 34 Ca 0.16 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 3cx5 h THR 34 Cb 0.14 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 3cx5 h THR 34 CO -0.02 0.25 0.13 0.00 0.37 0.00 0.00 175.52 176.25 3cx5 h ALA 35 N 1.02 0.38 -0.21 6.16 0.00 -1.16 -1.23 119.26 124.23 3cx5 h ALA 35 Ca 0.15 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3cx5 h ALA 35 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3cx5 h ALA 35 CO -0.01 -0.03 0.03 0.82 0.00 0.00 0.00 179.25 180.06 3cx5 h ILE 36 N 0.33 1.23 -0.60 0.00 1.08 -1.21 -1.77 117.51 116.58 3cx5 h ILE 36 Ca 0.10 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 63.82 3cx5 h ILE 36 Cb 0.16 1.32 -0.03 0.00 -3.07 0.00 0.00 36.82 35.20 3cx5 h ILE 36 CO -0.01 0.23 0.38 0.74 -0.69 0.00 0.00 178.15 178.81 3cx5 h THR 37 N 0.14 1.16 -0.39 -0.27 2.02 -1.18 0.66 112.91 115.05 3cx5 h THR 37 Ca 0.06 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 3cx5 h THR 37 Cb 0.32 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3cx5 h THR 37 CO 0.00 0.16 0.15 0.28 0.37 0.00 0.00 175.52 176.48 3cx5 h SER 38 N 0.81 0.54 -0.59 4.18 0.02 -1.16 0.14 113.55 117.49 3cx5 h SER 38 Ca 0.22 -0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 3cx5 h SER 38 Cb -0.07 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3cx5 h SER 38 CO -0.04 0.56 0.08 -0.25 -1.14 0.00 0.00 176.83 176.03 3cx5 h TRP 39 N 0.48 1.08 -0.09 3.45 7.01 -1.07 -1.52 115.95 125.29 3cx5 h TRP 39 Ca 0.13 -0.15 -0.02 0.00 2.11 0.00 0.00 58.89 60.96 3cx5 h TRP 39 Cb 0.20 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 26.96 3cx5 h TRP 39 CO 0.00 0.93 -0.02 -0.92 -2.79 0.00 0.00 178.44 175.63 3cx5 h TYR 40 N 0.95 0.21 -0.33 2.65 3.20 -0.63 -1.27 116.97 121.74 3cx5 h TYR 40 Ca 0.19 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 3cx5 h TYR 40 Cb 0.45 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 3cx5 h TYR 40 CO 0.03 0.50 -0.16 0.93 -1.64 0.00 0.00 178.16 177.82 3cx5 h GLU 41 N -0.15 0.60 -0.37 1.82 5.08 -0.95 -2.55 114.58 118.05 3cx5 h GLU 41 Ca 0.02 -0.20 -0.15 0.00 -1.00 0.00 0.00 59.36 58.04 3cx5 h GLU 41 Cb 0.43 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3cx5 h GLU 41 CO 0.01 0.73 -0.35 -0.97 -1.00 0.00 0.00 179.01 177.43 3cx5 h ASN 42 N 0.54 0.92 0.17 1.42 -1.24 -1.26 -2.03 115.58 114.09 3cx5 h ASN 42 Ca 0.09 -0.40 -0.03 0.00 0.71 0.00 0.00 56.30 56.67 3cx5 h ASN 42 Cb 0.58 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 39.37 3cx5 h ASN 42 CO 0.04 1.17 -0.15 -0.74 -1.29 0.00 0.00 177.43 176.46 3cx5 h HIS 43 N 0.72 0.00 -0.36 0.67 2.76 -0.99 -2.63 115.15 115.32 3cx5 h HIS 43 Ca 0.07 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 3cx5 h HIS 43 Cb 0.92 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.88 3cx5 h HIS 43 CO 0.05 0.15 0.00 0.09 -1.30 0.00 0.00 177.93 176.93 3cx5 n ASN 44 N -4.30 4.47 -4.64 3.26 3.02 -0.98 -5.03 115.26 111.05 3cx5 n ASN 44 Ca -0.02 -3.00 -0.47 0.00 -0.03 0.00 0.00 54.58 51.06 3cx5 n ASN 44 Cb 0.22 -0.59 -0.04 0.00 -0.61 0.00 0.00 39.78 38.77 3cx5 n ASN 44 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3cx5 n LYS 45 N -0.17 1.80 0.00 3.52 4.81 -0.79 -1.41 118.16 125.93 3cx5 n LYS 45 Ca 0.23 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 3cx5 n LYS 45 Cb 0.99 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.73 3cx5 n LYS 45 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cx5 n GLY 46 N 2.58 2.93 0.09 3.14 0.00 -1.26 -4.85 105.19 107.81 3cx5 n GLY 46 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 3cx5 n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3cx5 n LYS 47 N -0.50 0.64 -1.96 1.61 5.02 -0.50 -4.57 118.16 117.90 3cx5 n LYS 47 Ca 0.00 0.17 -0.36 0.00 -2.02 0.00 0.00 58.31 56.10 3cx5 n LYS 47 Cb 0.00 -1.71 0.04 0.00 -0.02 0.00 0.00 35.03 33.34 3cx5 n LYS 47 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3cx5 s LEU 48 N -5.76 3.65 0.31 -0.35 1.02 -1.23 -4.83 118.68 111.49 3cx5 s LEU 48 Ca -0.06 2.44 0.02 0.00 0.02 0.00 0.00 54.13 56.55 3cx5 s LEU 48 Cb 0.08 -4.60 0.57 0.00 0.02 0.00 0.00 46.19 42.26 3cx5 s LEU 48 CO 0.83 -1.68 1.92 -0.25 0.02 0.00 0.00 176.35 177.19 3cx5 h TRP 49 N 0.82 0.98 -0.60 0.29 2.91 -1.97 -1.15 115.95 117.23 3cx5 h TRP 49 Ca -0.51 0.03 0.05 0.00 1.13 0.00 0.00 58.89 59.59 3cx5 h TRP 49 Cb 1.31 -0.32 -0.05 0.00 -0.51 0.00 0.00 29.16 29.58 3cx5 h TRP 49 CO 0.46 0.52 0.33 0.87 -1.03 0.00 0.00 178.44 179.58 3cx5 h LYS 50 N 0.97 0.61 -0.51 2.65 1.57 -1.98 0.45 116.57 120.32 3cx5 h LYS 50 Ca 0.37 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.99 3cx5 h LYS 50 Cb 0.21 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3cx5 h LYS 50 CO -0.13 0.40 -0.16 -0.44 -0.57 0.00 0.00 179.45 178.55 3cx5 h ASP 51 N 0.62 1.02 -0.36 0.86 3.45 -1.69 -2.49 116.42 117.84 3cx5 h ASP 51 Ca 0.27 -0.36 -0.17 0.00 0.43 0.00 0.00 57.03 57.20 3cx5 h ASP 51 Cb 0.15 -0.28 -0.00 0.00 -0.56 0.00 0.00 39.33 38.63 3cx5 h ASP 51 CO -0.16 1.16 -0.43 0.58 -1.57 0.00 0.00 179.24 178.82 3cx5 h VAL 52 N 0.88 1.27 0.00 -1.35 2.07 -0.55 -2.97 116.25 115.60 3cx5 h VAL 52 Ca 0.13 -1.60 -0.05 0.00 0.82 0.00 0.00 66.70 66.00 3cx5 h VAL 52 Cb 0.73 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3cx5 h VAL 52 CO 0.06 0.53 -0.22 0.50 0.02 0.00 0.00 177.57 178.47 3cx5 h LYS 53 N 0.74 0.00 -0.60 1.57 3.64 -0.07 -0.56 116.57 121.29 3cx5 h LYS 53 Ca 0.05 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 3cx5 h LYS 53 Cb 1.03 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.80 3cx5 h LYS 53 CO 0.10 0.22 0.33 0.00 -2.27 0.00 0.00 179.45 177.83 3cx5 h ALA 54 N 1.78 0.79 0.00 5.00 0.00 -1.27 -3.31 119.26 122.25 3cx5 h ALA 54 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3cx5 h ALA 54 Cb 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3cx5 h ALA 54 CO 0.03 0.01 -0.28 0.00 0.00 0.00 0.00 179.25 179.00 3cx5 h ARG 55 N 0.63 0.00 -6.98 0.00 -0.00 -1.58 -3.47 114.38 102.97 3cx5 h ARG 55 Ca 0.26 0.00 -0.54 0.00 -0.50 0.00 0.00 59.98 59.20 3cx5 h ARG 55 Cb 0.14 0.00 0.11 0.00 0.00 0.00 0.00 29.97 30.22 3cx5 h ARG 55 CO -0.16 0.00 0.66 0.42 0.00 0.00 0.00 179.97 180.89 3cx5 s ILE 56 N -1.87 2.25 0.30 2.04 -1.09 -0.24 -5.03 121.20 117.56 3cx5 s ILE 56 Ca -0.08 0.22 -0.19 0.00 -2.23 0.00 0.00 60.65 58.37 3cx5 s ILE 56 Cb 0.01 -3.13 0.06 0.00 -1.58 0.00 0.00 42.46 37.83 3cx5 s ILE 56 CO 0.12 0.03 0.87 0.00 -1.23 0.00 0.00 174.94 174.73 3cx5 s ALA 57 N -1.24 -1.10 0.00 9.38 0.00 -1.26 -4.59 121.76 122.95 3cx5 s ALA 57 Ca 0.61 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.04 3cx5 s ALA 57 Cb -0.41 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.42 3cx5 s ALA 57 CO 0.53 -1.02 0.00 0.00 0.00 0.00 0.00 175.76 175.27