#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pru n ALA 2 N 0.00 6.74 -2.35 -5.12 0.00 -1.26 -4.58 120.51 113.94 1pru n ALA 2 Ca 0.00 -3.96 -0.18 0.00 0.00 0.00 0.00 53.44 49.31 1pru n ALA 2 Cb 0.00 -3.01 -0.10 0.00 0.00 0.00 0.00 19.45 16.34 1pru n ALA 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1pru s THR 3 N 0.22 1.07 0.59 0.00 -4.23 -1.26 -1.28 115.64 110.74 1pru s THR 3 Ca 0.56 -2.04 0.30 0.00 -1.18 0.00 0.00 61.69 59.33 1pru s THR 3 Cb 0.17 -2.40 0.35 0.00 1.34 0.00 0.00 72.50 71.96 1pru s THR 3 CO -0.07 -0.28 2.26 -0.29 -0.54 0.00 0.00 174.62 175.70 1pru h ILE 4 N 2.42 0.52 0.67 2.99 2.10 -1.92 -2.21 117.51 122.09 1pru h ILE 4 Ca -0.39 -0.01 -0.03 0.00 1.08 0.00 0.00 64.86 65.51 1pru h ILE 4 Cb 1.23 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 37.97 1pru h ILE 4 CO 0.65 0.00 -0.34 0.11 -1.08 0.00 0.00 178.15 177.49 1pru h LYS 5 N 0.00 -0.89 -0.34 2.19 1.57 -1.95 0.42 116.57 117.57 1pru h LYS 5 Ca -0.00 0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1pru h LYS 5 Cb 0.01 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1pru h LYS 5 CO 0.00 -0.59 0.18 -0.44 -0.57 0.00 0.00 179.45 178.03 1pru h ASP 6 N -0.93 0.28 -0.62 0.86 5.19 -1.76 -2.74 116.42 116.69 1pru h ASP 6 Ca -0.09 0.01 0.10 0.00 -0.62 0.00 0.00 57.03 56.43 1pru h ASP 6 Cb 0.72 -0.04 -0.08 0.00 0.18 0.00 0.00 39.33 40.11 1pru h ASP 6 CO 0.14 0.20 0.21 0.58 -3.12 0.00 0.00 179.24 177.25 1pru h VAL 7 N 0.37 0.73 -0.71 -1.35 2.07 -1.36 -0.91 116.25 115.08 1pru h VAL 7 Ca 0.14 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1pru h VAL 7 Cb 0.04 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 1pru h VAL 7 CO -0.09 0.07 0.41 0.00 0.02 0.00 0.00 177.57 177.98 1pru h ALA 8 N 1.45 0.97 -0.11 1.67 0.00 -0.60 0.25 119.26 122.89 1pru h ALA 8 Ca 0.32 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1pru h ALA 8 Cb 0.43 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1pru h ALA 8 CO -0.34 0.09 -0.05 0.87 0.00 0.00 0.00 179.25 179.82 1pru h LYS 9 N 0.74 0.22 -0.76 0.00 1.57 -1.23 -0.20 116.57 116.92 1pru h LYS 9 Ca 0.32 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1pru h LYS 9 Cb 0.20 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1pru h LYS 9 CO -0.19 0.56 0.47 -0.09 -0.57 0.00 0.00 179.45 179.64 1pru h ARG 10 N -0.14 1.01 0.09 3.15 2.43 -0.83 -3.02 114.38 117.09 1pru h ARG 10 Ca 0.02 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1pru h ARG 10 Cb 0.50 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1pru h ARG 10 CO 0.01 0.69 -0.04 0.00 -1.51 0.00 0.00 179.97 179.12 1pru h ALA 11 N 1.49 -0.12 -3.00 2.80 0.00 -0.42 -3.49 119.26 116.52 1pru h ALA 11 Ca 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1pru h ALA 11 Cb -0.07 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1pru h ALA 11 CO -0.05 -0.30 0.00 -1.71 0.00 0.00 0.00 179.25 177.18 1pru n ASN 12 N -4.90 0.00 0.00 0.00 5.15 -0.12 -4.71 115.26 110.68 1pru n ASN 12 Ca -0.08 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.90 1pru n ASN 12 Cb 0.27 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.52 1pru n ASN 12 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1pru n VAL 13 N -0.75 0.00 -4.40 3.44 0.31 -0.97 -4.75 118.33 111.20 1pru n VAL 13 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 1pru n VAL 13 Cb 0.00 0.00 -0.09 0.00 -0.91 0.00 0.00 33.84 32.84 1pru n VAL 13 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1pru s SER 14 N -1.01 4.07 0.59 4.52 0.01 -1.26 -3.39 113.70 117.24 1pru s SER 14 Ca 0.00 -1.12 0.29 0.00 1.31 0.00 0.00 55.95 56.42 1pru s SER 14 Cb 0.00 -0.46 1.56 0.00 0.21 0.00 0.00 66.02 67.33 1pru s SER 14 CO 0.00 -0.33 1.99 0.71 0.41 0.00 0.00 173.24 176.02 1pru h THR 15 N 1.78 0.39 -0.55 1.44 1.35 -1.88 -1.74 112.91 113.70 1pru h THR 15 Ca -0.43 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.54 1pru h THR 15 Cb 1.25 0.72 -0.10 0.00 -1.73 0.00 0.00 68.15 68.29 1pru h THR 15 CO 0.71 0.00 -0.07 0.71 -0.25 0.00 0.00 175.52 176.62 1pru h THR 16 N 0.00 0.50 -0.59 6.82 1.35 -1.97 0.69 112.91 119.71 1pru h THR 16 Ca 0.15 -0.02 0.08 0.00 -0.55 0.00 0.00 66.41 66.06 1pru h THR 16 Cb 0.85 0.44 -0.06 0.00 -1.73 0.00 0.00 68.15 67.65 1pru h THR 16 CO -0.00 0.01 0.26 0.74 -0.25 0.00 0.00 175.52 176.28 1pru h THR 17 N 0.05 0.85 -0.26 6.82 2.02 -1.70 -0.00 112.91 120.69 1pru h THR 17 Ca 0.27 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 1pru h THR 17 Cb 0.43 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1pru h THR 17 CO -0.52 0.09 0.12 0.58 0.37 0.00 0.00 175.52 176.16 1pru h VAL 18 N 0.48 1.16 -0.69 3.16 2.07 -1.24 -2.73 116.25 118.46 1pru h VAL 18 Ca 0.28 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.38 1pru h VAL 18 Cb 0.29 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 1pru h VAL 18 CO -0.25 0.16 0.40 0.28 0.02 0.00 0.00 177.57 178.18 1pru h SER 19 N 0.28 0.61 -0.57 0.57 0.02 -0.21 -0.90 113.55 113.35 1pru h SER 19 Ca 0.09 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.13 1pru h SER 19 Cb 0.15 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.53 1pru h SER 19 CO -0.01 0.40 0.26 0.45 -1.14 0.00 0.00 176.83 176.79 1pru h HIS 20 N 0.74 0.47 0.45 3.45 -0.00 -0.79 0.14 115.15 119.62 1pru h HIS 20 Ca 0.30 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.67 1pru h HIS 20 Cb 0.15 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.44 1pru h HIS 20 CO -0.07 0.19 -0.22 0.28 -0.00 0.00 0.00 177.93 178.12 1pru h VAL 21 N 0.49 0.36 0.18 2.45 2.07 -1.11 0.00 116.25 120.69 1pru h VAL 21 Ca 0.27 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1pru h VAL 21 Cb 0.24 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1pru h VAL 21 CO -0.22 0.07 -0.09 0.40 0.02 0.00 0.00 177.57 177.75 1pru h ILE 22 N -1.00 0.83 0.00 4.57 2.04 -1.11 -2.02 117.51 120.82 1pru h ILE 22 Ca -0.06 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1pru h ILE 22 Cb 0.57 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1pru h ILE 22 CO 0.10 0.00 -0.12 -1.13 0.00 0.00 0.00 178.15 177.00 1pru h ASN 23 N -0.25 0.00 -5.07 1.72 -1.24 -0.82 -3.47 115.58 106.44 1pru h ASN 23 Ca -0.03 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.73 1pru h ASN 23 Cb 0.20 0.00 0.15 0.00 0.73 0.00 0.00 38.32 39.40 1pru h ASN 23 CO 0.04 0.12 -0.67 1.17 -1.29 0.00 0.00 177.43 176.80 1pru n LYS 24 N -3.74 -4.33 0.00 6.67 4.81 -0.06 -4.99 118.16 116.52 1pru n LYS 24 Ca -0.02 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 1pru n LYS 24 Cb 0.23 -5.28 0.00 0.00 0.02 0.00 0.00 35.03 30.01 1pru n LYS 24 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1pru n THR 25 N -3.41 0.00 -2.44 3.15 -2.24 -0.92 -4.85 114.28 103.56 1pru n THR 25 Ca -0.18 0.03 -0.38 0.00 -2.27 0.00 0.00 64.05 61.25 1pru n THR 25 Cb 0.63 -0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 68.01 1pru n THR 25 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1pru s ARG 26 N -0.13 3.42 -0.34 -0.78 0.52 -1.26 -4.93 118.95 115.45 1pru s ARG 26 Ca 0.00 -1.15 -0.29 0.00 -0.52 0.00 0.00 55.73 53.77 1pru s ARG 26 Cb 0.00 -5.34 -0.07 0.00 0.52 0.00 0.00 34.95 30.06 1pru s ARG 26 CO 0.00 -2.54 2.29 0.34 0.02 0.00 0.00 175.30 175.41 1pru n PHE 27 N 10.03 1.71 -2.28 -0.53 -0.00 -1.26 -4.67 117.46 120.46 1pru n PHE 27 Ca 0.38 0.03 -0.26 0.00 -0.00 0.00 0.00 57.45 57.60 1pru n PHE 27 Cb 0.49 -2.66 0.11 0.00 -0.00 0.00 0.00 39.48 37.42 1pru n PHE 27 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 1pru s VAL 28 N 9.20 2.18 0.81 -2.13 -7.23 -1.26 -5.06 120.40 116.91 1pru s VAL 28 Ca 1.03 -0.33 -0.10 0.00 -1.81 0.00 0.00 61.98 60.77 1pru s VAL 28 Cb -0.42 -2.86 0.08 0.00 0.56 0.00 0.00 36.38 33.74 1pru s VAL 28 CO 0.36 0.00 1.10 0.00 -0.31 0.00 0.00 175.10 176.25 1pru s ALA 29 N -3.35 2.05 0.52 1.32 0.00 -1.26 -4.78 121.76 116.27 1pru s ALA 29 Ca 0.65 0.33 0.18 0.00 0.00 0.00 0.00 51.96 53.12 1pru s ALA 29 Cb -0.07 -3.31 1.31 0.00 0.00 0.00 0.00 23.12 21.05 1pru s ALA 29 CO 0.46 -2.01 2.12 0.93 0.00 0.00 0.00 175.76 177.26 1pru h GLU 30 N -1.31 0.00 0.42 0.00 4.39 -1.98 -1.36 114.58 114.73 1pru h GLU 30 Ca -0.44 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.25 1pru h GLU 30 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1pru h GLU 30 CO 0.49 0.00 -0.21 1.49 -1.16 0.00 0.00 179.01 179.62 1pru h GLU 31 N 0.00 -0.56 -0.45 2.33 4.81 -1.99 0.62 114.58 119.34 1pru h GLU 31 Ca 0.05 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1pru h GLU 31 Cb 0.20 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1pru h GLU 31 CO -0.00 -0.37 0.12 1.15 -0.73 0.00 0.00 179.01 179.18 1pru h THR 32 N -0.58 1.23 -0.12 0.32 2.02 -1.77 -0.16 112.91 113.85 1pru h THR 32 Ca -0.05 -0.77 0.04 0.00 0.77 0.00 0.00 66.41 66.39 1pru h THR 32 Cb 0.45 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1pru h THR 32 CO 0.08 0.28 -0.15 -0.09 0.37 0.00 0.00 175.52 176.01 1pru h ARG 33 N 0.58 -0.19 -0.64 6.66 2.43 -1.14 -0.57 114.38 121.52 1pru h ARG 33 Ca 0.14 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 1pru h ARG 33 Cb 0.29 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 1pru h ARG 33 CO -0.00 -0.12 0.21 -0.91 -1.51 0.00 0.00 179.97 177.64 1pru h ASN 34 N -0.19 0.92 -0.78 -3.80 2.35 -0.75 -2.62 115.58 110.71 1pru h ASN 34 Ca 0.09 -0.20 0.06 0.00 -0.55 0.00 0.00 56.30 55.70 1pru h ASN 34 Cb 0.32 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 38.39 1pru h ASN 34 CO -0.23 0.88 0.47 0.00 -1.65 0.00 0.00 177.43 176.89 1pru h ALA 35 N 1.08 1.05 0.61 -0.83 0.00 -0.41 0.14 119.26 120.91 1pru h ALA 35 Ca 0.21 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1pru h ALA 35 Cb 0.28 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1pru h ALA 35 CO -0.01 0.19 -0.29 0.28 0.00 0.00 0.00 179.25 179.42 1pru h VAL 36 N 0.86 0.34 -0.84 0.00 2.07 -0.88 0.14 116.25 117.94 1pru h VAL 36 Ca 0.34 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.70 1pru h VAL 36 Cb 0.16 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 1pru h VAL 36 CO -0.17 0.03 0.55 -0.50 0.02 0.00 0.00 177.57 177.50 1pru h TRP 37 N -0.96 1.00 0.39 1.57 -0.00 -1.27 -1.00 115.95 115.68 1pru h TRP 37 Ca -0.08 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 58.81 1pru h TRP 37 Cb 0.67 -0.33 0.00 0.00 -0.00 0.00 0.00 29.16 29.50 1pru h TRP 37 CO -0.01 0.57 -0.19 0.00 -0.00 0.00 0.00 178.44 178.81 1pru h ALA 38 N 1.52 -0.52 -0.76 1.49 0.00 -0.62 -2.92 119.26 117.44 1pru h ALA 38 Ca 0.34 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.18 1pru h ALA 38 Cb 0.08 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1pru h ALA 38 CO -0.11 -0.67 0.38 0.00 0.00 0.00 0.00 179.25 178.85 1pru h ALA 39 N -0.27 1.07 -0.82 0.00 0.00 -0.63 0.13 119.26 118.74 1pru h ALA 39 Ca -0.05 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1pru h ALA 39 Cb 0.52 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 1pru h ALA 39 CO 0.09 -0.04 0.46 0.82 0.00 0.00 0.00 179.25 180.57 1pru h ILE 40 N 0.62 0.87 0.20 0.00 2.04 -1.15 -0.71 117.51 119.39 1pru h ILE 40 Ca 0.38 -0.26 -0.27 0.00 1.00 0.00 0.00 64.86 65.71 1pru h ILE 40 Cb 0.44 0.06 0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1pru h ILE 40 CO -0.29 0.14 -1.20 0.50 0.00 0.00 0.00 178.15 177.29 1pru h LYS 41 N 0.74 0.43 -0.27 2.37 3.64 -1.08 -1.21 116.57 121.19 1pru h LYS 41 Ca 0.40 -0.74 0.02 0.00 -1.27 0.00 0.00 60.65 59.07 1pru h LYS 41 Cb 0.42 0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1pru h LYS 41 CO -0.27 1.35 0.11 0.93 -2.27 0.00 0.00 179.45 179.31 1pru h GLU 42 N -0.09 0.24 0.00 1.90 5.08 -0.47 -0.85 114.58 120.40 1pru h GLU 42 Ca -0.21 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1pru h GLU 42 Cb 1.94 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.13 1pru h GLU 42 CO 0.22 0.16 0.00 1.28 -1.00 0.00 0.00 179.01 179.67 1pru n LEU 43 N -5.00 0.00 -3.82 1.33 4.77 -0.30 -4.89 117.00 109.08 1pru n LEU 43 Ca -0.01 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.69 1pru n LEU 43 Cb 0.08 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 1pru n LEU 43 CO 0.30 0.00 0.11 1.41 -1.33 0.00 0.00 177.39 177.88 1pru n HIS 44 N -0.89 -2.35 -1.39 -1.77 8.25 -0.32 -4.39 115.22 112.35 1pru n HIS 44 Ca 0.19 0.92 -0.55 0.00 -0.26 0.00 0.00 57.72 58.02 1pru n HIS 44 Cb 0.09 -4.24 -0.08 0.00 1.12 0.00 0.00 29.99 26.88 1pru n HIS 44 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1pru n TYR 45 N -4.68 0.79 -3.81 4.41 9.36 -0.47 -4.87 117.16 117.90 1pru n TYR 45 Ca -0.02 0.97 -0.36 0.00 3.32 0.00 0.00 57.90 61.81 1pru n TYR 45 Cb 0.56 -1.90 -0.12 0.00 -0.63 0.00 0.00 39.34 37.24 1pru n TYR 45 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1pru s SER 46 N 0.58 5.18 -1.06 2.98 0.15 -0.41 -5.00 113.70 116.13 1pru s SER 46 Ca 0.84 -1.97 -0.19 0.00 0.70 0.00 0.00 55.95 55.33 1pru s SER 46 Cb -1.18 -1.80 -0.07 0.00 -1.71 0.00 0.00 66.02 61.25 1pru s SER 46 CO 0.56 -0.50 2.00 -0.81 1.20 0.00 0.00 173.24 175.69 1pru n PRO 47 N 4.57 2.04 -3.86 5.44 -0.04 -1.26 -4.17 135.00 137.72 1pru n PRO 47 Ca -0.03 -2.25 -0.29 0.00 -0.04 0.00 0.00 63.50 60.89 1pru n PRO 47 Cb 0.42 -3.16 0.04 0.00 -0.04 0.00 0.00 33.50 30.75 1pru n PRO 47 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1pru n SER 48 N 7.93 -5.13 -3.06 3.54 7.64 -1.26 -4.93 113.62 118.35 1pru n SER 48 Ca 0.50 -0.74 -0.00 0.00 1.01 0.00 0.00 58.87 59.64 1pru n SER 48 Cb 0.41 -4.08 -0.00 0.00 -1.01 0.00 0.00 64.21 59.53 1pru n SER 48 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pru s ALA 49 N -3.30 -2.57 0.48 -0.43 0.00 -1.26 -5.02 121.76 109.67 1pru s ALA 49 Ca 0.66 0.19 0.17 0.00 0.00 0.00 0.00 51.96 52.97 1pru s ALA 49 Cb -0.32 -2.77 1.17 0.00 0.00 0.00 0.00 23.12 21.20 1pru s ALA 49 CO 0.81 -2.26 2.06 -0.24 0.00 0.00 0.00 175.76 176.13 1pru h VAL 50 N 4.79 1.01 0.09 0.00 3.04 -1.91 -3.21 116.25 120.06 1pru h VAL 50 Ca 0.04 -0.40 -0.00 0.00 -1.01 0.00 0.00 66.70 65.33 1pru h VAL 50 Cb 1.17 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.67 1pru h VAL 50 CO 0.06 0.11 -0.04 0.00 -1.01 0.00 0.00 177.57 176.69 1pru h ALA 51 N 1.89 -0.92 -3.00 3.17 0.00 -2.01 -3.50 119.26 114.89 1pru h ALA 51 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pru h ALA 51 Cb 0.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1pru h ALA 51 CO 0.01 -0.91 0.00 -2.13 0.00 0.00 0.00 179.25 176.22 1pru n ARG 52 N -2.35 0.00 -2.96 0.00 0.63 -1.21 -5.14 116.66 105.63 1pru n ARG 52 Ca -0.01 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.92 1pru n ARG 52 Cb 0.05 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.96 1pru n ARG 52 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1pru s SER 53 N 2.00 -0.95 0.23 6.15 1.04 -1.26 -4.67 113.70 116.24 1pru s SER 53 Ca 0.00 -0.55 -0.23 0.00 0.48 0.00 0.00 55.95 55.65 1pru s SER 53 Cb 0.00 1.21 0.04 0.00 0.10 0.00 0.00 66.02 67.37 1pru s SER 53 CO 0.00 -0.10 0.81 -1.48 0.98 0.00 0.00 173.24 173.45 1pru s LEU 54 N 1.79 -0.23 0.00 2.42 2.34 -1.26 -5.14 118.68 118.60 1pru s LEU 54 Ca 0.17 -0.52 0.00 0.00 0.06 0.00 0.00 54.13 53.84 1pru s LEU 54 Cb 0.00 2.51 0.00 0.00 -0.56 0.00 0.00 46.19 48.14 1pru s LEU 54 CO -0.10 -1.17 0.00 1.17 -1.06 0.00 0.00 176.35 175.18 1pru n LYS 55 N -0.46 0.00 0.00 1.48 3.00 -1.26 -5.26 118.16 115.66 1pru n LYS 55 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 1pru n LYS 55 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.63 1pru n LYS 55 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73