#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pru n GLU 2 N 0.00 0.60 0.23 1.43 4.07 -1.26 -3.39 120.64 122.32 2pru n GLU 2 Ca 0.00 0.50 0.06 0.00 -0.06 0.00 0.00 57.16 57.66 2pru n GLU 2 Cb 0.00 -1.72 0.52 0.00 -0.06 0.00 0.00 31.44 30.18 2pru n GLU 2 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2pru h LEU 3 N -0.80 0.00 0.12 4.31 7.12 -2.06 -1.44 115.31 122.56 2pru h LEU 3 Ca -0.39 0.00 0.02 0.00 0.13 0.00 0.00 57.88 57.64 2pru h LEU 3 Cb 1.46 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 41.55 2pru h LEU 3 CO -0.17 0.17 -0.36 -0.08 -0.13 0.00 0.00 178.44 177.87 2pru h GLU 4 N 0.00 -0.57 0.00 1.25 4.81 -2.01 -1.76 114.58 116.30 2pru h GLU 4 Ca -0.00 0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2pru h GLU 4 Cb 0.31 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 2pru h GLU 4 CO 0.02 -0.38 -0.12 0.87 -0.73 0.00 0.00 179.01 178.67 2pru h LYS 5 N -0.59 0.00 -0.09 1.92 1.57 -1.29 -1.58 116.57 116.51 2pru h LYS 5 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2pru h LYS 5 Cb 0.62 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 2pru h LYS 5 CO -0.22 0.12 0.02 0.00 -0.57 0.00 0.00 179.45 178.81 2pru h ALA 6 N 1.88 0.12 -0.83 3.86 0.00 -0.93 -0.51 119.26 122.85 2pru h ALA 6 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2pru h ALA 6 Cb 0.25 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2pru h ALA 6 CO 0.02 -0.26 0.53 1.98 0.00 0.00 0.00 179.25 181.52 2pru h MET 7 N -0.05 1.11 -0.75 0.00 1.85 -0.45 -0.92 114.93 115.72 2pru h MET 7 Ca 0.03 -0.08 -0.06 0.00 -0.61 0.00 0.00 59.70 58.98 2pru h MET 7 Cb 0.24 -0.24 -0.03 0.00 0.43 0.00 0.00 31.60 31.99 2pru h MET 7 CO -0.00 0.76 0.23 0.28 -0.40 0.00 0.00 176.91 177.78 2pru h VAL 8 N 1.14 1.26 -0.53 -5.77 2.07 -1.23 -2.30 116.25 110.89 2pru h VAL 8 Ca 0.30 -0.91 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 2pru h VAL 8 Cb -0.09 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2pru h VAL 8 CO -0.06 0.36 0.05 0.00 0.02 0.00 0.00 177.57 177.94 2pru h ALA 9 N 1.14 1.09 -0.52 1.67 0.00 -0.25 0.25 119.26 122.65 2pru h ALA 9 Ca 0.24 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2pru h ALA 9 Cb 0.31 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2pru h ALA 9 CO -0.01 0.58 0.32 -0.07 0.00 0.00 0.00 179.25 180.08 2pru h LEU 10 N 0.81 0.54 0.06 0.00 -0.00 -0.68 0.43 115.31 116.47 2pru h LEU 10 Ca 0.16 -0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.79 2pru h LEU 10 Cb 0.41 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.94 2pru h LEU 10 CO 0.01 0.38 -1.16 0.16 -0.00 0.00 0.00 178.44 177.83 2pru h ILE 11 N 0.65 1.56 -0.00 1.22 3.07 -1.15 -3.16 117.51 119.69 2pru h ILE 11 Ca 0.20 -3.21 -0.12 0.00 1.55 0.00 0.00 64.86 63.28 2pru h ILE 11 Cb -0.02 2.87 -0.02 0.00 -0.27 0.00 0.00 36.82 39.39 2pru h ILE 11 CO -0.07 0.92 -0.56 -0.78 -1.05 0.00 0.00 178.15 176.60 2pru h ASP 12 N 0.04 0.02 0.57 2.16 3.58 -0.32 0.13 116.42 122.59 2pru h ASP 12 Ca -0.09 -0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.23 2pru h ASP 12 Cb 1.88 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.91 2pru h ASP 12 CO 0.16 0.57 -0.60 1.62 -2.88 0.00 0.00 179.24 178.12 2pru h VAL 13 N 0.01 1.42 0.00 2.25 3.04 -0.98 0.83 116.25 122.83 2pru h VAL 13 Ca -0.01 -2.04 -0.16 0.00 -1.01 0.00 0.00 66.70 63.49 2pru h VAL 13 Cb 1.00 2.09 -0.02 0.00 -2.01 0.00 0.00 31.29 32.35 2pru h VAL 13 CO 0.07 0.59 -0.74 0.15 -1.01 0.00 0.00 177.57 176.62 2pru h PHE 14 N 0.02 0.00 -0.57 3.17 3.57 -1.37 -2.70 116.94 119.06 2pru h PHE 14 Ca -0.01 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2pru h PHE 14 Cb 1.06 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 2pru h PHE 14 CO 0.00 0.74 0.06 1.25 -2.23 0.00 0.00 178.31 178.14 2pru h HIS 15 N 0.00 0.99 -1.00 0.41 2.76 -0.17 -2.40 115.15 115.73 2pru h HIS 15 Ca -0.01 -0.13 0.10 0.00 -2.20 0.00 0.00 60.37 58.13 2pru h HIS 15 Cb 1.32 -0.27 -0.08 0.00 1.55 0.00 0.00 27.41 29.93 2pru h HIS 15 CO 0.00 0.86 0.64 1.96 -1.30 0.00 0.00 177.93 180.09 2pru h GLN 16 N 0.87 1.04 0.00 5.26 1.08 -0.53 -3.42 115.11 119.42 2pru h GLN 16 Ca 0.17 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2pru h GLN 16 Cb 0.43 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2pru h GLN 16 CO 0.01 0.69 0.00 0.66 -0.95 0.00 0.00 178.83 179.24 2pru n TYR 17 N -4.57 -0.54 -3.75 2.96 4.02 -0.91 -5.11 117.16 109.26 2pru n TYR 17 Ca 0.17 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.93 2pru n TYR 17 Cb 0.28 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.50 2pru n TYR 17 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 2pru s SER 18 N -1.00 -0.37 -1.28 7.72 0.01 -1.22 -4.91 113.70 112.64 2pru s SER 18 Ca 0.00 0.70 -0.19 0.00 1.31 0.00 0.00 55.95 57.77 2pru s SER 18 Cb 0.00 0.72 0.04 0.00 0.21 0.00 0.00 66.02 66.99 2pru s SER 18 CO 0.00 -0.15 1.78 0.61 0.41 0.00 0.00 173.24 175.89 2pru n GLY 19 N 2.76 2.27 0.39 3.44 0.00 -1.26 -4.77 105.19 108.03 2pru n GLY 19 Ca -0.14 -1.31 0.21 0.00 0.00 0.00 0.00 46.02 44.79 2pru n GLY 19 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2pru h ARG 20 N 8.00 0.00 0.00 1.61 -0.00 -1.97 0.44 114.38 122.46 2pru h ARG 20 Ca 0.40 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 60.36 2pru h ARG 20 Cb 0.88 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.85 2pru h ARG 20 CO 1.41 0.00 -0.09 1.49 -0.00 0.00 0.00 179.97 182.79 2pru h GLU 21 N 0.00 0.00 0.00 0.08 4.22 -1.86 -3.45 114.58 113.57 2pru h GLU 21 Ca 0.21 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.65 2pru h GLU 21 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2pru h GLU 21 CO -0.00 0.09 0.00 0.41 -2.18 0.00 0.00 179.01 177.32 2pru n GLY 22 N -0.26 1.45 3.81 1.92 0.00 0.15 -4.52 105.19 107.75 2pru n GLY 22 Ca -0.01 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 2pru n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pru n ASP 23 N 0.58 -3.50 -0.02 1.61 2.03 -1.08 -4.87 116.55 111.30 2pru n ASP 23 Ca 0.00 -0.93 -0.02 0.00 0.52 0.00 0.00 54.79 54.35 2pru n ASP 23 Cb 0.13 -1.26 -0.03 0.00 -0.72 0.00 0.00 41.12 39.24 2pru n ASP 23 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2pru n LYS 24 N -3.36 3.07 -2.04 -0.67 5.02 -1.26 -4.73 118.16 114.19 2pru n LYS 24 Ca -0.16 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.07 2pru n LYS 24 Cb 0.49 -1.11 0.06 0.00 -0.02 0.00 0.00 35.03 34.46 2pru n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2pru n HIS 25 N -2.19 1.30 0.00 2.13 8.25 -1.26 -5.09 115.22 118.36 2pru n HIS 25 Ca -0.07 -1.78 0.00 0.00 -0.26 0.00 0.00 57.72 55.61 2pru n HIS 25 Cb 0.63 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.49 2pru n HIS 25 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2pru n LYS 26 N -0.51 0.00 -3.92 -0.41 5.02 -1.26 -4.61 118.16 112.47 2pru n LYS 26 Ca 0.20 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.40 2pru n LYS 26 Cb 0.90 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.87 2pru n LYS 26 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2pru s LEU 27 N 0.00 0.16 0.30 -0.35 1.43 -1.26 -4.02 118.68 114.93 2pru s LEU 27 Ca 0.00 -0.78 0.01 0.00 -1.03 0.00 0.00 54.13 52.33 2pru s LEU 27 Cb 0.00 2.05 -0.03 0.00 0.03 0.00 0.00 46.19 48.23 2pru s LEU 27 CO 0.00 -1.17 0.48 -1.59 0.23 0.00 0.00 176.35 174.30 2pru s LYS 28 N -3.97 3.49 0.62 1.70 0.00 -1.26 -0.10 119.74 120.22 2pru s LYS 28 Ca 0.17 -0.40 0.41 0.00 0.00 0.00 0.00 55.97 56.15 2pru s LYS 28 Cb -0.02 -2.74 2.14 0.00 0.00 0.00 0.00 37.83 37.22 2pru s LYS 28 CO 0.06 0.25 2.25 1.57 0.00 0.00 0.00 175.35 179.49 2pru h LYS 29 N 1.11 0.00 0.00 1.78 2.10 -0.67 0.18 116.57 121.07 2pru h LYS 29 Ca -0.50 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.14 2pru h LYS 29 Cb 1.21 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2pru h LYS 29 CO 0.63 0.00 -0.07 1.03 -2.00 0.00 0.00 179.45 179.04 2pru h SER 30 N 0.00 0.00 0.95 7.07 0.87 -1.76 -1.60 113.55 119.08 2pru h SER 30 Ca 0.00 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.36 2pru h SER 30 Cb 0.11 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 2pru h SER 30 CO 0.00 0.07 -0.95 -0.33 -0.53 0.00 0.00 176.83 175.09 2pru h GLU 31 N 0.00 0.00 -0.10 2.24 4.39 -0.97 -3.06 114.58 117.07 2pru h GLU 31 Ca -0.00 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.73 2pru h GLU 31 Cb 0.32 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2pru h GLU 31 CO 0.01 0.95 0.10 1.25 -1.16 0.00 0.00 179.01 180.16 2pru h LEU 32 N 0.00 0.00 -0.27 1.33 7.12 -1.28 -0.09 115.31 122.12 2pru h LEU 32 Ca -0.01 0.00 0.05 0.00 0.13 0.00 0.00 57.88 58.05 2pru h LEU 32 Cb 1.68 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 41.77 2pru h LEU 32 CO 0.12 0.00 0.01 0.50 -0.13 0.00 0.00 178.44 178.94 2pru h LYS 33 N 0.00 0.09 0.00 1.25 3.11 -1.47 0.10 116.57 119.64 2pru h LYS 33 Ca 0.05 -0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.79 2pru h LYS 33 Cb 0.24 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.44 2pru h LYS 33 CO -0.00 0.06 -0.42 0.93 -2.81 0.00 0.00 179.45 177.20 2pru h GLU 34 N 0.09 0.00 0.93 1.90 5.08 -1.18 -1.70 114.58 119.69 2pru h GLU 34 Ca 0.13 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 2pru h GLU 34 Cb 0.17 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.42 2pru h GLU 34 CO -0.21 0.42 -0.45 -0.07 -1.00 0.00 0.00 179.01 177.70 2pru h LEU 35 N 0.00 -1.06 -1.88 1.33 -0.00 -0.80 -3.14 115.31 109.76 2pru h LEU 35 Ca -0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.90 2pru h LEU 35 Cb 0.81 0.27 -0.00 0.00 -0.00 0.00 0.00 40.66 41.74 2pru h LEU 35 CO 0.06 -0.73 -0.01 0.16 -0.00 0.00 0.00 178.44 177.91 2pru h ILE 36 N -1.29 1.04 -0.94 1.22 3.07 -0.85 0.53 117.51 120.29 2pru h ILE 36 Ca -0.13 -0.15 0.14 0.00 1.55 0.00 0.00 64.86 66.27 2pru h ILE 36 Cb 0.96 1.03 -0.08 0.00 -0.27 0.00 0.00 36.82 38.46 2pru h ILE 36 CO 0.21 0.05 0.60 0.78 -1.05 0.00 0.00 178.15 178.73 2pru h ASN 37 N 0.05 0.75 0.00 2.16 2.35 -1.26 -3.29 115.58 116.35 2pru h ASN 37 Ca 0.01 0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 2pru h ASN 37 Cb 0.06 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2pru h ASN 37 CO 0.00 0.38 -1.25 -3.20 -1.65 0.00 0.00 177.43 171.72 2pru n ASN 38 N -4.59 3.73 -0.98 5.81 5.15 -0.67 -4.60 115.26 119.11 2pru n ASN 38 Ca 0.18 -0.02 -0.01 0.00 -0.60 0.00 0.00 54.58 54.13 2pru n ASN 38 Cb 0.44 0.03 0.06 0.00 -0.53 0.00 0.00 39.78 39.78 2pru n ASN 38 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2pru n GLU 39 N -2.55 1.54 0.05 1.20 -0.58 0.18 -3.84 120.64 116.64 2pru n GLU 39 Ca -0.07 -0.61 0.00 0.00 -0.42 0.00 0.00 57.16 56.06 2pru n GLU 39 Cb 0.59 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 2pru n GLU 39 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2pru n LEU 40 N 0.15 -0.04 -4.65 -4.62 0.00 -1.24 -4.87 117.00 101.72 2pru n LEU 40 Ca 0.08 0.19 -0.42 0.00 0.00 0.00 0.00 56.01 55.86 2pru n LEU 40 Cb 0.57 0.15 -0.03 0.00 0.00 0.00 0.00 43.42 44.10 2pru n LEU 40 CO 0.09 -0.60 1.64 -0.44 0.00 0.00 0.00 177.39 178.08 2pru s SER 41 N -5.02 6.30 0.00 1.96 0.01 -1.25 -4.72 113.70 110.97 2pru s SER 41 Ca 0.00 2.56 0.00 0.00 1.31 0.00 0.00 55.95 59.82 2pru s SER 41 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2pru s SER 41 CO 0.00 -1.19 0.00 1.57 0.41 0.00 0.00 173.24 174.03 2pru n HIS 42 N 8.17 -0.37 -3.26 2.43 -0.00 -1.26 -4.97 115.22 115.95 2pru n HIS 42 Ca 0.21 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.74 2pru n HIS 42 Cb 0.42 0.29 -0.07 0.00 -0.00 0.00 0.00 29.99 30.63 2pru n HIS 42 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2pru s PHE 43 N -0.58 0.08 -0.22 1.57 0.08 -1.26 -5.06 117.98 112.58 2pru s PHE 43 Ca 0.00 -1.46 -0.03 0.00 0.12 0.00 0.00 56.93 55.55 2pru s PHE 43 Cb 0.00 -0.50 0.12 0.00 -0.57 0.00 0.00 43.02 42.06 2pru s PHE 43 CO 0.00 -0.96 0.34 -1.17 -0.10 0.00 0.00 175.22 173.33 2pru s LEU 44 N 0.72 -0.51 0.00 -0.37 2.96 -1.26 -5.05 118.68 115.16 2pru s LEU 44 Ca 0.26 0.24 0.00 0.00 -0.22 0.00 0.00 54.13 54.41 2pru s LEU 44 Cb -0.05 0.97 0.00 0.00 0.50 0.00 0.00 46.19 47.61 2pru s LEU 44 CO -0.10 -0.29 0.00 -0.62 -1.32 0.00 0.00 176.35 174.02 2pru n GLU 45 N 5.36 4.25 -0.38 1.98 1.02 -1.26 -4.98 120.64 126.63 2pru n GLU 45 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2pru n GLU 45 Cb 0.50 -0.53 0.00 0.00 -0.02 0.00 0.00 31.44 31.39 2pru n GLU 45 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2pru n GLU 46 N -0.30 0.00 0.00 3.49 0.28 -1.26 -4.82 120.64 118.03 2pru n GLU 46 Ca 0.00 -0.73 0.00 0.00 -0.16 0.00 0.00 57.16 56.27 2pru n GLU 46 Cb 0.00 -0.42 0.00 0.00 1.43 0.00 0.00 31.44 32.45 2pru n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2pru n ILE 47 N 0.00 0.00 0.23 3.84 -0.00 -1.26 -4.87 119.36 117.30 2pru n ILE 47 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 62.75 62.77 2pru n ILE 47 Cb 0.63 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 40.25 2pru n ILE 47 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 2pru n LYS 48 N 0.00 4.45 -0.29 0.38 3.00 -1.26 -4.62 118.16 119.83 2pru n LYS 48 Ca 0.00 -0.14 0.14 0.00 -0.00 0.00 0.00 58.31 58.31 2pru n LYS 48 Cb 0.00 -0.79 0.39 0.00 0.00 0.00 0.00 35.03 34.63 2pru n LYS 48 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 2pru h GLU 49 N 0.18 0.63 -0.98 1.64 4.11 -1.74 -1.70 114.58 116.72 2pru h GLU 49 Ca 0.00 -0.04 0.14 0.00 0.07 0.00 0.00 59.36 59.54 2pru h GLU 49 Cb 0.13 -0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.16 2pru h GLU 49 CO 0.00 0.42 0.62 -0.56 0.07 0.00 0.00 179.01 179.55 2pru h GLN 50 N 0.65 0.84 0.00 1.06 3.07 -1.87 0.47 115.11 119.32 2pru h GLN 50 Ca 0.49 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 59.15 2pru h GLN 50 Cb 0.88 -0.19 -0.00 0.00 0.08 0.00 0.00 27.48 28.25 2pru h GLN 50 CO -0.24 0.55 -0.22 0.93 0.09 0.00 0.00 178.83 179.94 2pru h GLU 51 N 0.86 0.00 -1.00 0.06 5.08 -1.75 -3.41 114.58 114.42 2pru h GLU 51 Ca 0.51 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.90 2pru h GLU 51 Cb 0.66 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 2pru h GLU 51 CO -0.28 0.50 0.66 0.28 -1.00 0.00 0.00 179.01 179.17 2pru h VAL 52 N -1.00 1.19 -0.26 3.13 2.07 -0.60 -2.69 116.25 118.09 2pru h VAL 52 Ca -0.04 -0.44 0.06 0.00 0.82 0.00 0.00 66.70 67.09 2pru h VAL 52 Cb 0.60 -0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 2pru h VAL 52 CO -0.03 0.24 -0.15 0.58 0.02 0.00 0.00 177.57 178.23 2pru h VAL 53 N 1.29 0.56 -0.42 2.57 2.07 -0.31 0.49 116.25 122.50 2pru h VAL 53 Ca 0.39 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.82 2pru h VAL 53 Cb -0.04 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2pru h VAL 53 CO -0.11 0.00 -0.09 -0.78 0.02 0.00 0.00 177.57 176.61 2pru h ASP 54 N -0.12 0.81 -0.44 0.57 3.58 -1.73 0.33 116.42 119.42 2pru h ASP 54 Ca 0.14 -0.36 -0.05 0.00 0.42 0.00 0.00 57.03 57.19 2pru h ASP 54 Cb 0.33 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 2pru h ASP 54 CO -0.34 0.98 0.11 0.11 -2.88 0.00 0.00 179.24 177.22 2pru h LYS 55 N 0.64 0.78 -0.14 0.28 1.57 -1.05 -0.61 116.57 118.03 2pru h LYS 55 Ca 0.11 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2pru h LYS 55 Cb 0.62 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 2pru h LYS 55 CO 0.04 0.71 0.06 0.28 -0.57 0.00 0.00 179.45 179.97 2pru h VAL 56 N 0.75 1.14 -0.70 0.50 2.07 0.27 -1.59 116.25 118.70 2pru h VAL 56 Ca 0.16 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 2pru h VAL 56 Cb 0.30 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 2pru h VAL 56 CO 0.00 0.13 0.42 0.24 0.02 0.00 0.00 177.57 178.38 2pru h MET 57 N 0.09 0.94 0.12 1.57 2.86 -0.10 0.17 114.93 120.57 2pru h MET 57 Ca 0.05 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2pru h MET 57 Cb 0.15 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.61 2pru h MET 57 CO -0.00 0.66 -0.06 1.05 1.06 0.00 0.00 176.91 179.61 2pru h GLU 58 N 0.96 -0.16 -0.39 1.72 4.11 -1.09 -3.27 114.58 116.47 2pru h GLU 58 Ca 0.25 0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.65 2pru h GLU 58 Cb -0.04 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2pru h GLU 58 CO -0.05 0.32 0.08 1.79 0.07 0.00 0.00 179.01 181.22 2pru h THR 59 N -0.83 1.23 -0.51 -1.06 1.35 -1.03 0.23 112.91 112.28 2pru h THR 59 Ca -0.02 -0.81 0.04 0.00 -0.55 0.00 0.00 66.41 65.07 2pru h THR 59 Cb 0.55 1.02 -0.04 0.00 -1.73 0.00 0.00 68.15 67.95 2pru h THR 59 CO 0.03 0.28 0.27 0.25 -0.25 0.00 0.00 175.52 176.10 2pru h LEU 60 N 0.48 0.40 0.00 3.87 5.85 -0.84 0.25 115.31 125.33 2pru h LEU 60 Ca 0.12 0.02 -0.21 0.00 0.84 0.00 0.00 57.88 58.65 2pru h LEU 60 Cb 0.33 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 2pru h LEU 60 CO 0.00 0.28 -1.25 0.44 -0.34 0.00 0.00 178.44 177.57 2pru h ASP 61 N 0.53 0.00 -0.43 1.25 3.32 -1.59 0.15 116.42 119.65 2pru h ASP 61 Ca 0.22 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 2pru h ASP 61 Cb 0.11 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2pru h ASP 61 CO -0.14 0.84 0.15 -1.13 -1.72 0.00 0.00 179.24 177.24 2pru h ASN 62 N 0.00 0.62 -0.05 6.45 -0.73 -0.19 -2.93 115.58 118.75 2pru h ASN 62 Ca -0.13 -0.19 -0.01 0.00 1.87 0.00 0.00 56.30 57.83 2pru h ASN 62 Cb 1.76 -0.16 -0.00 0.00 0.27 0.00 0.00 38.32 40.19 2pru h ASN 62 CO 0.09 0.65 -0.01 -0.78 -0.37 0.00 0.00 177.43 177.00 2pru h ASP 63 N 0.56 0.09 0.00 1.15 3.58 -0.57 -3.46 116.42 117.77 2pru h ASP 63 Ca 0.14 -0.36 0.00 0.00 0.42 0.00 0.00 57.03 57.23 2pru h ASP 63 Cb 0.24 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2pru h ASP 63 CO -0.01 0.43 0.00 0.61 -2.88 0.00 0.00 179.24 177.39 2pru n GLY 64 N -0.13 1.49 3.81 -0.78 0.00 0.04 -4.79 105.19 104.82 2pru n GLY 64 Ca -0.07 0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 2pru n GLY 64 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2pru s ASP 65 N -4.00 6.62 0.00 1.61 2.15 -1.26 -2.93 116.67 118.86 2pru s ASP 65 Ca 0.00 1.79 0.00 0.00 0.43 0.00 0.00 52.55 54.77 2pru s ASP 65 Cb 0.00 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 2pru s ASP 65 CO 0.00 -0.58 0.00 0.61 -0.17 0.00 0.00 175.17 175.03 2pru n GLY 66 N -0.52 1.86 3.56 2.66 0.00 -1.26 -4.84 105.19 106.64 2pru n GLY 66 Ca 0.08 -0.13 -0.46 0.00 0.00 0.00 0.00 46.02 45.51 2pru n GLY 66 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2pru n GLU 67 N 0.00 1.75 -1.73 1.61 -0.00 -1.26 -0.18 120.64 120.82 2pru n GLU 67 Ca 0.00 0.50 -0.42 0.00 -0.00 0.00 0.00 57.16 57.24 2pru n GLU 67 Cb 0.00 -2.96 -0.03 0.00 -0.00 0.00 0.00 31.44 28.45 2pru n GLU 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2pru s ASP 69 N 3.87 5.94 0.57 0.00 1.01 -1.26 -4.69 116.67 122.10 2pru s ASP 69 Ca 0.84 0.44 0.26 0.00 0.71 0.00 0.00 52.55 54.80 2pru s ASP 69 Cb -0.42 -1.72 1.61 0.00 1.01 0.00 0.00 42.92 43.40 2pru s ASP 69 CO 0.39 -0.66 2.17 2.19 0.21 0.00 0.00 175.17 179.47 2pru h PHE 70 N 0.37 0.00 -0.52 4.23 -5.15 -1.97 0.01 116.94 113.91 2pru h PHE 70 Ca -0.47 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.25 2pru h PHE 70 Cb 1.24 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.39 2pru h PHE 70 CO 0.48 0.00 0.11 1.96 -2.00 0.00 0.00 178.31 178.86 2pru h GLN 71 N 0.00 0.80 0.07 6.09 1.08 -1.99 -1.14 115.11 120.02 2pru h GLN 71 Ca 0.04 -0.17 -0.25 0.00 -1.45 0.00 0.00 58.65 56.83 2pru h GLN 71 Cb 0.20 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 2pru h GLN 71 CO -0.00 0.73 -1.09 0.93 -0.95 0.00 0.00 178.83 178.45 2pru h GLU 72 N 0.77 0.33 0.07 1.46 5.08 -1.38 0.95 114.58 121.87 2pru h GLU 72 Ca 0.17 -0.45 0.02 0.00 -1.00 0.00 0.00 59.36 58.10 2pru h GLU 72 Cb 0.31 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 2pru h GLU 72 CO 0.00 1.16 -0.26 0.74 -1.00 0.00 0.00 179.01 179.65 2pru h PHE 73 N 0.15 -0.68 -0.36 4.33 -1.00 -1.18 -1.73 116.94 116.46 2pru h PHE 73 Ca -0.11 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.68 2pru h PHE 73 Cb 1.77 0.29 -0.02 0.00 3.61 0.00 0.00 35.95 41.61 2pru h PHE 73 CO 0.06 -0.35 0.20 1.98 -1.61 0.00 0.00 178.31 178.59 2pru h MET 74 N -0.44 0.50 0.41 1.51 4.05 -1.16 -2.83 114.93 116.97 2pru h MET 74 Ca 0.04 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 2pru h MET 74 Cb 0.48 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.16 2pru h MET 74 CO -0.18 0.40 -0.47 0.00 0.23 0.00 0.00 176.91 176.89 2pru h ALA 75 N 1.07 -1.02 -0.51 0.39 0.00 -0.58 0.05 119.26 118.66 2pru h ALA 75 Ca 0.13 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2pru h ALA 75 Cb 0.04 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2pru h ALA 75 CO -0.02 -1.12 0.16 0.74 0.00 0.00 0.00 179.25 179.01 2pru h PHE 76 N -0.90 0.81 -0.27 0.00 -1.00 -1.34 0.02 116.94 114.26 2pru h PHE 76 Ca -0.04 -0.08 -0.12 0.00 2.81 0.00 0.00 57.97 60.53 2pru h PHE 76 Cb 0.81 -0.24 -0.00 0.00 3.61 0.00 0.00 35.95 40.13 2pru h PHE 76 CO -0.27 0.70 -0.31 -0.24 -1.61 0.00 0.00 178.31 176.58 2pru h VAL 77 N 0.69 1.31 -0.18 -0.55 3.04 -1.43 -1.94 116.25 117.20 2pru h VAL 77 Ca 0.16 -1.49 -0.21 0.00 -1.01 0.00 0.00 66.70 64.15 2pru h VAL 77 Cb 0.27 1.63 0.01 0.00 -2.01 0.00 0.00 31.29 31.19 2pru h VAL 77 CO -0.01 0.47 -0.73 0.00 -1.01 0.00 0.00 177.57 176.30 2pru h ALA 78 N 0.69 0.38 0.00 3.17 0.00 -0.86 -2.07 119.26 120.56 2pru h ALA 78 Ca 0.04 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 2pru h ALA 78 Cb 0.89 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2pru h ALA 78 CO 0.08 0.69 -0.29 0.00 0.00 0.00 0.00 179.25 179.73 2pru h MET 79 N 0.54 0.00 0.00 0.00 -0.00 -1.02 0.25 114.93 114.71 2pru h MET 79 Ca -0.04 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.48 2pru h MET 79 Cb 1.34 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.92 2pru h MET 79 CO 0.15 0.29 -0.88 -0.24 -0.00 0.00 0.00 176.91 176.23 2pru h VAL 80 N 0.00 1.52 0.09 -0.10 3.04 -1.29 -2.11 116.25 117.41 2pru h VAL 80 Ca -0.00 -3.11 -0.19 0.00 -1.01 0.00 0.00 66.70 62.39 2pru h VAL 80 Cb 1.02 2.72 0.02 0.00 -2.01 0.00 0.00 31.29 33.05 2pru h VAL 80 CO 0.04 0.86 -0.80 0.74 -1.01 0.00 0.00 177.57 177.40 2pru h THR 81 N 0.00 1.45 0.00 3.17 2.02 -1.09 -2.56 112.91 115.90 2pru h THR 81 Ca -0.01 -2.36 0.00 0.00 0.77 0.00 0.00 66.41 64.81 2pru h THR 81 Cb 1.65 2.92 0.00 0.00 -1.74 0.00 0.00 68.15 70.98 2pru h THR 81 CO 0.11 0.68 -0.06 0.35 0.37 0.00 0.00 175.52 176.97 2pru n THR 82 N -4.11 0.79 0.00 3.16 -2.24 0.85 -4.36 114.28 108.37 2pru n THR 82 Ca -0.13 0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 2pru n THR 82 Cb 0.79 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 2pru n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pru n ALA 83 N -3.18 0.00 -0.43 6.98 0.00 -0.79 -4.29 120.51 118.79 2pru n ALA 83 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2pru n ALA 83 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 2pru n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pru n HIS 85 N -1.96 0.00 0.98 0.00 8.25 -1.26 -4.86 115.22 116.37 2pru n HIS 85 Ca 0.00 -0.45 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 2pru n HIS 85 Cb 0.00 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.06 2pru n HIS 85 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2pru n GLU 86 N 0.39 0.98 0.10 -0.41 4.71 -1.26 -3.49 120.64 121.66 2pru n GLU 86 Ca 0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.12 2pru n GLU 86 Cb 1.05 -1.19 0.16 0.00 -1.01 0.00 0.00 31.44 30.45 2pru n GLU 86 CO 0.00 0.00 0.00 0.74 0.09 0.00 0.00 177.13 177.96 2pru h PHE 87 N 0.03 0.25 -0.78 -0.32 0.04 -1.90 -3.35 116.94 110.91 2pru h PHE 87 Ca 0.00 -0.09 -0.48 0.00 2.80 0.00 0.00 57.97 60.20 2pru h PHE 87 Cb 0.80 -0.05 -0.07 0.00 2.20 0.00 0.00 35.95 38.84 2pru h PHE 87 CO 0.00 0.70 1.41 -0.06 -0.60 0.00 0.00 178.31 179.76 2pru s PHE 88 N -3.85 2.28 0.05 -0.55 0.08 -1.23 0.34 117.98 115.11 2pru s PHE 88 Ca -0.04 -0.37 0.00 0.00 0.12 0.00 0.00 56.93 56.64 2pru s PHE 88 Cb 0.12 -4.38 0.00 0.00 -0.57 0.00 0.00 43.02 38.20 2pru s PHE 88 CO 0.78 -1.66 0.00 -1.91 -0.10 0.00 0.00 175.22 172.34 2pru n GLU 89 N 8.58 0.00 -0.01 0.44 0.00 -1.26 -4.97 120.64 123.42 2pru n GLU 89 Ca 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 57.16 57.55 2pru n GLU 89 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 31.44 31.90 2pru n GLU 89 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2pru n HIS 90 N -2.64 0.00 -0.39 4.31 -0.00 -0.79 -5.24 115.22 110.47 2pru n HIS 90 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2pru n HIS 90 Cb 0.00 -0.18 0.00 0.00 -0.12 0.00 0.00 29.99 29.69 2pru n HIS 90 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89