#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pru h GLU 2 N 0.00 0.20 -0.59 1.43 4.57 -2.05 -1.09 114.58 117.06 2pru h GLU 2 Ca 0.00 -0.34 -0.09 0.00 -1.18 0.00 0.00 59.36 57.74 2pru h GLU 2 Cb 0.00 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 2pru h GLU 2 CO 0.00 1.14 -0.00 1.25 -1.18 0.00 0.00 179.01 180.22 2pru h LEU 3 N 0.05 1.00 0.30 1.64 7.12 -2.05 -0.74 115.31 122.63 2pru h LEU 3 Ca -0.12 -0.28 0.00 0.00 0.13 0.00 0.00 57.88 57.61 2pru h LEU 3 Cb 1.93 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 41.77 2pru h LEU 3 CO 0.18 1.05 -0.31 -0.08 -0.13 0.00 0.00 178.44 179.16 2pru h GLU 4 N 0.94 -0.62 -0.86 1.25 4.22 -1.97 -1.54 114.58 116.00 2pru h GLU 4 Ca 0.17 0.04 0.06 0.00 0.08 0.00 0.00 59.36 59.71 2pru h GLU 4 Cb 0.55 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.87 2pru h GLU 4 CO 0.03 -0.41 0.54 0.87 -2.18 0.00 0.00 179.01 177.86 2pru h LYS 5 N -0.64 0.95 -0.19 1.92 1.57 -0.97 -2.26 116.57 116.95 2pru h LYS 5 Ca -0.01 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2pru h LYS 5 Cb 0.59 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 2pru h LYS 5 CO -0.07 0.63 0.09 0.00 -0.57 0.00 0.00 179.45 179.53 2pru h ALA 6 N 1.41 0.22 -0.36 3.86 0.00 -0.77 0.68 119.26 124.31 2pru h ALA 6 Ca 0.38 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.30 2pru h ALA 6 Cb 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2pru h ALA 6 CO -0.18 -0.33 0.22 1.98 0.00 0.00 0.00 179.25 180.94 2pru h MET 7 N 0.19 0.44 -0.48 0.00 1.85 -0.93 -2.03 114.93 113.98 2pru h MET 7 Ca 0.08 -0.03 0.02 0.00 -0.61 0.00 0.00 59.70 59.16 2pru h MET 7 Cb 0.02 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 31.92 2pru h MET 7 CO -0.06 0.29 0.28 0.28 -0.40 0.00 0.00 176.91 177.31 2pru h VAL 8 N 0.45 1.05 -0.58 -5.77 2.07 -1.04 -0.16 116.25 112.26 2pru h VAL 8 Ca 0.14 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2pru h VAL 8 Cb -0.02 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 2pru h VAL 8 CO -0.05 0.10 0.32 0.00 0.02 0.00 0.00 177.57 177.96 2pru h ALA 9 N 1.21 1.46 -0.15 1.67 0.00 -0.52 0.50 119.26 123.44 2pru h ALA 9 Ca 0.19 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 2pru h ALA 9 Cb 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2pru h ALA 9 CO -0.09 0.45 -0.47 -0.07 0.00 0.00 0.00 179.25 179.07 2pru h LEU 10 N 0.81 0.66 -0.26 0.00 3.38 -0.63 -2.03 115.31 117.25 2pru h LEU 10 Ca 0.21 -0.60 -0.20 0.00 0.09 0.00 0.00 57.88 57.38 2pru h LEU 10 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2pru h LEU 10 CO -0.03 1.15 -0.89 0.16 0.09 0.00 0.00 178.44 178.91 2pru h ILE 11 N 0.22 1.53 0.00 1.22 3.07 -0.68 -3.12 117.51 119.74 2pru h ILE 11 Ca -0.02 -2.74 -0.05 0.00 1.55 0.00 0.00 64.86 63.60 2pru h ILE 11 Cb 1.09 2.53 -0.01 0.00 -0.27 0.00 0.00 36.82 40.16 2pru h ILE 11 CO 0.10 0.79 -0.24 -0.78 -1.05 0.00 0.00 178.15 176.97 2pru h ASP 12 N 0.07 0.00 0.18 2.16 3.58 -0.03 -0.91 116.42 121.48 2pru h ASP 12 Ca -0.04 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.29 2pru h ASP 12 Cb 1.53 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.57 2pru h ASP 12 CO 0.13 0.24 -0.45 1.62 -2.88 0.00 0.00 179.24 177.90 2pru h VAL 13 N 0.00 1.32 -0.46 2.25 3.04 -1.30 0.14 116.25 121.25 2pru h VAL 13 Ca -0.00 -1.64 -0.14 0.00 -1.01 0.00 0.00 66.70 63.91 2pru h VAL 13 Cb 0.81 1.72 -0.01 0.00 -2.01 0.00 0.00 31.29 31.80 2pru h VAL 13 CO 0.03 0.49 -0.26 -0.26 -1.01 0.00 0.00 177.57 176.57 2pru h PHE 14 N 0.27 1.15 0.18 3.17 0.04 -1.41 -1.88 116.94 118.46 2pru h PHE 14 Ca 0.02 -0.30 0.01 0.00 2.80 0.00 0.00 57.97 60.51 2pru h PHE 14 Cb 0.91 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.76 2pru h PHE 14 CO 0.02 1.13 -0.30 1.25 -0.60 0.00 0.00 178.31 179.81 2pru h HIS 15 N 0.84 -0.82 0.47 -0.55 2.76 -0.60 0.90 115.15 118.16 2pru h HIS 15 Ca 0.10 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 2pru h HIS 15 Cb 0.85 0.34 -0.01 0.00 1.55 0.00 0.00 27.41 30.13 2pru h HIS 15 CO 0.06 -0.42 -0.36 1.96 -1.30 0.00 0.00 177.93 177.87 2pru h GLN 16 N -0.56 -0.79 -0.64 5.26 4.20 -0.72 -3.18 115.11 118.68 2pru h GLN 16 Ca 0.02 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2pru h GLN 16 Cb 0.56 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.52 2pru h GLN 16 CO -0.14 -0.53 0.00 0.66 -0.67 0.00 0.00 178.83 178.15 2pru n TYR 17 N -5.48 1.14 -1.43 2.96 4.02 -0.71 -4.96 117.16 112.70 2pru n TYR 17 Ca -0.11 -0.44 -0.50 0.00 -0.01 0.00 0.00 57.90 56.84 2pru n TYR 17 Cb 0.38 -0.24 -0.08 0.00 -0.02 0.00 0.00 39.34 39.38 2pru n TYR 17 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2pru n SER 18 N 0.64 1.90 -4.47 7.72 3.41 0.31 -4.87 113.62 118.26 2pru n SER 18 Ca 0.18 0.37 -0.44 0.00 -0.26 0.00 0.00 58.87 58.72 2pru n SER 18 Cb 0.72 -1.23 -0.02 0.00 -0.26 0.00 0.00 64.21 63.42 2pru n SER 18 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2pru s GLY 19 N 7.59 1.93 0.42 5.00 0.00 -0.93 -4.87 107.32 116.46 2pru s GLY 19 Ca 1.11 -2.81 0.17 0.00 0.00 0.00 0.00 44.72 43.19 2pru s GLY 19 CO 0.49 2.10 1.88 0.07 0.00 0.00 0.00 173.10 177.63 2pru h ARG 20 N 8.66 0.41 0.00 2.90 -0.00 -1.85 0.21 114.38 124.70 2pru h ARG 20 Ca 0.19 -0.02 0.00 0.00 -0.00 0.00 0.00 59.98 60.15 2pru h ARG 20 Cb 1.00 -0.09 0.00 0.00 -0.00 0.00 0.00 29.97 30.88 2pru h ARG 20 CO 1.17 0.27 -0.10 0.39 -0.00 0.00 0.00 179.97 181.70 2pru n GLU 21 N -4.50 0.05 0.16 0.08 -0.58 -1.26 -3.17 120.64 111.42 2pru n GLU 21 Ca 0.18 0.02 0.09 0.00 -0.42 0.00 0.00 57.16 57.02 2pru n GLU 21 Cb 0.64 -0.39 0.59 0.00 -0.57 0.00 0.00 31.44 31.71 2pru n GLU 21 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2pru h GLY 22 N -0.10 0.16 -2.50 0.62 0.00 -1.99 -0.21 103.07 99.04 2pru h GLY 22 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 2pru h GLY 22 CO 0.00 0.05 0.00 1.22 0.00 0.00 0.00 176.54 177.81 2pru n ASP 23 N -4.51 3.64 -1.43 0.19 9.92 -0.92 -4.89 116.55 118.55 2pru n ASP 23 Ca 0.00 -2.00 -0.15 0.00 -0.53 0.00 0.00 54.79 52.11 2pru n ASP 23 Cb 0.15 -0.45 -0.03 0.00 -0.64 0.00 0.00 41.12 40.14 2pru n ASP 23 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2pru n LYS 24 N 1.49 -1.12 -0.05 -1.24 4.81 -0.09 -1.87 118.16 120.09 2pru n LYS 24 Ca 0.23 0.87 0.00 0.00 -0.87 0.00 0.00 58.31 58.54 2pru n LYS 24 Cb 0.57 -5.11 0.00 0.00 0.02 0.00 0.00 35.03 30.52 2pru n LYS 24 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2pru n HIS 25 N -3.31 0.00 0.00 5.64 -0.00 0.69 -4.93 115.22 113.31 2pru n HIS 25 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 2pru n HIS 25 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.55 2pru n HIS 25 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2pru n LYS 26 N -2.00 2.74 -4.02 1.57 5.02 -0.78 -4.26 118.16 116.42 2pru n LYS 26 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 2pru n LYS 26 Cb 0.00 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.84 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 1.14 0.58 -0.35 1.43 -1.23 -2.19 118.68 118.05 2pru s LEU 27 Ca 0.00 -0.09 -0.15 0.00 -1.03 0.00 0.00 54.13 52.86 2pru s LEU 27 Cb 0.00 -0.38 -0.05 0.00 0.03 0.00 0.00 46.19 45.79 2pru s LEU 27 CO 0.00 -0.09 1.03 -1.59 0.23 0.00 0.00 176.35 175.92 2pru s LYS 28 N 1.15 3.55 0.45 1.70 -2.85 -1.26 -0.12 119.74 122.35 2pru s LYS 28 Ca -0.08 1.02 0.14 0.00 -1.00 0.00 0.00 55.97 56.05 2pru s LYS 28 Cb -0.14 -2.07 1.00 0.00 -2.06 0.00 0.00 37.83 34.56 2pru s LYS 28 CO -0.01 -0.61 2.00 -0.22 0.10 0.00 0.00 175.35 176.61 2pru h LYS 29 N 0.38 0.04 -0.06 1.78 3.64 -1.67 0.42 116.57 121.10 2pru h LYS 29 Ca -0.46 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 58.83 2pru h LYS 29 Cb 1.20 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2pru h LYS 29 CO 0.59 0.19 -0.34 0.77 -2.27 0.00 0.00 179.45 178.39 2pru h SER 30 N 0.04 0.11 1.75 4.20 0.02 -1.80 -1.97 113.55 115.90 2pru h SER 30 Ca 0.01 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2pru h SER 30 Cb 0.28 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2pru h SER 30 CO 0.02 0.44 -0.14 -0.33 -1.14 0.00 0.00 176.83 175.68 2pru h GLU 31 N 0.09 0.00 0.00 3.45 4.39 -1.32 -3.00 114.58 118.19 2pru h GLU 31 Ca 0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2pru h GLU 31 Cb 0.65 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2pru h GLU 31 CO 0.05 0.00 -0.04 1.25 -1.16 0.00 0.00 179.01 179.11 2pru h LEU 32 N 0.00 0.00 0.24 1.33 7.12 -0.52 0.13 115.31 123.61 2pru h LEU 32 Ca 0.00 0.00 0.01 0.00 0.13 0.00 0.00 57.88 58.02 2pru h LEU 32 Cb 0.95 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.05 2pru h LEU 32 CO 0.00 0.04 -0.30 0.50 -0.13 0.00 0.00 178.44 178.55 2pru h LYS 33 N 0.00 -0.57 -0.26 1.25 3.11 -1.52 0.33 116.57 118.91 2pru h LYS 33 Ca -0.00 0.04 -0.08 0.00 -2.81 0.00 0.00 60.65 57.79 2pru h LYS 33 Cb 0.07 0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.41 2pru h LYS 33 CO 0.00 -0.38 -0.20 0.93 -2.81 0.00 0.00 179.45 176.99 2pru h GLU 34 N -0.60 0.46 0.22 1.90 4.39 -1.52 -0.94 114.58 118.50 2pru h GLU 34 Ca 0.00 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 2pru h GLU 34 Cb 0.57 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2pru h GLU 34 CO -0.10 0.65 -0.14 1.25 -1.16 0.00 0.00 179.01 179.51 2pru h LEU 35 N 0.42 -0.34 -0.64 1.33 7.12 -0.25 -2.54 115.31 120.42 2pru h LEU 35 Ca 0.07 0.02 -0.09 0.00 0.13 0.00 0.00 57.88 58.01 2pru h LEU 35 Cb 0.59 0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.80 2pru h LEU 35 CO 0.04 -0.22 0.03 0.16 -0.13 0.00 0.00 178.44 178.32 2pru h ILE 36 N -0.35 1.27 -0.85 4.05 3.07 -0.13 0.28 117.51 124.84 2pru h ILE 36 Ca -0.02 -1.13 0.14 0.00 1.55 0.00 0.00 64.86 65.40 2pru h ILE 36 Cb 0.29 0.75 -0.06 0.00 -0.27 0.00 0.00 36.82 37.52 2pru h ILE 36 CO 0.02 0.42 0.55 0.78 -1.05 0.00 0.00 178.15 178.87 2pru h ASN 37 N 1.00 0.59 0.00 2.16 2.35 -1.00 -1.46 115.58 119.22 2pru h ASN 37 Ca 0.18 0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.85 2pru h ASN 37 Cb 0.53 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 2pru h ASN 37 CO 0.03 0.30 -1.12 -3.20 -1.65 0.00 0.00 177.43 171.79 2pru n ASN 38 N -4.53 1.26 0.20 5.81 5.15 -0.97 -4.36 115.26 117.81 2pru n ASN 38 Ca 0.16 0.20 0.14 0.00 -0.60 0.00 0.00 54.58 54.48 2pru n ASN 38 Cb 0.47 -0.48 0.40 0.00 -0.53 0.00 0.00 39.78 39.64 2pru n ASN 38 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2pru h GLU 39 N -0.50 0.00 0.00 1.20 4.57 -0.57 -3.29 114.58 115.99 2pru h GLU 39 Ca -0.17 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.79 2pru h GLU 39 Cb 0.89 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.45 2pru h GLU 39 CO -0.10 0.00 -1.72 -0.11 -1.18 0.00 0.00 179.01 175.90 2pru n LEU 40 N -2.80 1.89 -4.63 1.64 0.00 -1.06 -4.99 117.00 107.05 2pru n LEU 40 Ca 0.03 0.32 -0.63 0.00 0.00 0.00 0.00 56.01 55.73 2pru n LEU 40 Cb 0.41 -0.75 -0.09 0.00 0.00 0.00 0.00 43.42 42.99 2pru n LEU 40 CO 0.30 0.13 0.88 -0.24 0.00 0.00 0.00 177.39 178.45 2pru n SER 41 N -4.31 0.67 -3.32 1.96 2.88 -0.57 -4.97 113.62 105.96 2pru n SER 41 Ca -0.33 1.17 0.02 0.00 -1.33 0.00 0.00 58.87 58.41 2pru n SER 41 Cb 0.68 -0.91 -0.04 0.00 -0.75 0.00 0.00 64.21 63.20 2pru n SER 41 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2pru s HIS 42 N 1.56 -0.56 -0.68 0.66 -3.43 -1.26 -4.95 115.29 106.63 2pru s HIS 42 Ca 0.98 0.91 -0.13 0.00 -0.80 0.00 0.00 55.06 56.02 2pru s HIS 42 Cb -1.37 0.31 0.02 0.00 -1.43 0.00 0.00 32.58 30.11 2pru s HIS 42 CO 0.69 -0.28 0.63 1.19 -2.00 0.00 0.00 174.74 174.97 2pru n PHE 43 N 4.98 -2.44 -3.79 0.38 3.72 -1.26 -5.00 117.46 114.05 2pru n PHE 43 Ca -0.08 1.00 -0.17 0.00 -0.05 0.00 0.00 57.45 58.15 2pru n PHE 43 Cb 0.53 -2.70 -0.00 0.00 -0.94 0.00 0.00 39.48 36.37 2pru n PHE 43 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2pru n LEU 44 N -1.64 0.00 -0.56 4.37 4.77 -1.26 -4.73 117.00 117.95 2pru n LEU 44 Ca -0.19 -1.81 -0.07 0.00 -0.03 0.00 0.00 56.01 53.91 2pru n LEU 44 Cb 0.66 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 2pru n LEU 44 CO 0.59 -0.45 -0.07 -0.62 -1.33 0.00 0.00 177.39 175.51 2pru n GLU 45 N -1.28 -0.58 0.00 3.23 1.02 -1.26 -4.80 120.64 116.97 2pru n GLU 45 Ca -0.02 0.73 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 2pru n GLU 45 Cb 0.39 -4.55 0.00 0.00 -0.02 0.00 0.00 31.44 27.27 2pru n GLU 45 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2pru n GLU 46 N -2.65 3.23 0.00 3.49 1.02 -1.26 -4.97 120.64 119.49 2pru n GLU 46 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2pru n GLU 46 Cb 0.26 -0.54 0.00 0.00 -0.02 0.00 0.00 31.44 31.14 2pru n GLU 46 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2pru n ILE 47 N -0.67 0.00 0.00 -3.67 5.41 -1.26 -5.03 119.36 114.14 2pru n ILE 47 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2pru n ILE 47 Cb 0.00 -0.62 0.00 0.00 -0.71 0.00 0.00 39.64 38.31 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 -0.68 0.00 0.00 0.38 0.00 -1.26 -4.86 118.16 111.74 2pru n LYS 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2pru n LYS 48 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2pru n LYS 48 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2pru n GLU 49 N 0.00 1.99 -0.24 1.64 0.00 -1.26 -4.68 120.64 118.09 2pru n GLU 49 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.29 2pru n GLU 49 Cb 0.00 -0.71 0.42 0.00 0.00 0.00 0.00 31.44 31.15 2pru n GLU 49 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.13 176.57 2pru h GLN 50 N 0.00 0.58 -0.00 3.44 3.07 -1.96 0.45 115.11 120.69 2pru h GLN 50 Ca 0.00 -0.04 -0.08 0.00 0.09 0.00 0.00 58.65 58.62 2pru h GLN 50 Cb 0.34 -0.13 0.01 0.00 0.08 0.00 0.00 27.48 27.78 2pru h GLN 50 CO 0.00 0.39 -0.31 0.93 0.09 0.00 0.00 178.83 179.93 2pru h GLU 51 N 0.60 0.22 -0.19 0.06 5.08 -2.01 -3.32 114.58 115.03 2pru h GLU 51 Ca 0.43 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2pru h GLU 51 Cb 0.79 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 2pru h GLU 51 CO -0.18 0.95 0.06 0.28 -1.00 0.00 0.00 179.01 179.12 2pru h VAL 52 N -0.42 1.18 -0.58 3.13 2.07 -1.27 -2.60 116.25 117.76 2pru h VAL 52 Ca -0.04 -0.55 0.06 0.00 0.82 0.00 0.00 66.70 66.99 2pru h VAL 52 Cb 1.06 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 2pru h VAL 52 CO 0.06 0.17 0.28 0.58 0.02 0.00 0.00 177.57 178.69 2pru h VAL 53 N 0.13 0.92 -0.39 2.57 2.07 -0.36 0.49 116.25 121.67 2pru h VAL 53 Ca 0.06 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 2pru h VAL 53 Cb 0.21 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 2pru h VAL 53 CO -0.00 0.10 0.09 0.44 0.02 0.00 0.00 177.57 178.22 2pru h ASP 54 N 0.53 0.60 -0.49 0.57 5.19 -1.63 0.12 116.42 121.31 2pru h ASP 54 Ca 0.27 -0.24 -0.06 0.00 -0.62 0.00 0.00 57.03 56.38 2pru h ASP 54 Cb 0.21 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.54 2pru h ASP 54 CO -0.20 0.68 0.10 0.11 -3.12 0.00 0.00 179.24 176.80 2pru h LYS 55 N 0.49 0.87 0.17 3.56 1.57 -0.94 -0.86 116.57 121.43 2pru h LYS 55 Ca 0.12 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2pru h LYS 55 Cb 0.32 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2pru h LYS 55 CO 0.00 0.80 -0.19 0.28 -0.57 0.00 0.00 179.45 179.78 2pru h VAL 56 N 0.83 0.59 -0.75 0.50 2.07 0.32 0.37 116.25 120.17 2pru h VAL 56 Ca 0.17 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.71 2pru h VAL 56 Cb 0.36 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 2pru h VAL 56 CO 0.01 0.00 0.50 0.24 0.02 0.00 0.00 177.57 178.33 2pru h MET 57 N -0.39 0.97 0.64 1.57 2.86 -0.29 0.28 114.93 120.56 2pru h MET 57 Ca 0.01 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2pru h MET 57 Cb 0.38 -0.22 0.01 0.00 0.06 0.00 0.00 31.60 31.83 2pru h MET 57 CO -0.06 0.64 -0.31 1.49 1.06 0.00 0.00 176.91 179.73 2pru h GLU 58 N 1.00 -0.82 -0.58 1.72 4.57 -0.95 -3.03 114.58 116.49 2pru h GLU 58 Ca 0.28 0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.50 2pru h GLU 58 Cb -0.08 0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 2pru h GLU 58 CO -0.07 -0.55 0.30 1.79 -1.18 0.00 0.00 179.01 179.30 2pru h THR 59 N -1.08 1.20 -0.60 0.32 1.35 -0.65 0.18 112.91 113.63 2pru h THR 59 Ca -0.09 -0.53 0.11 0.00 -0.55 0.00 0.00 66.41 65.35 2pru h THR 59 Cb 0.66 0.49 -0.08 0.00 -1.73 0.00 0.00 68.15 67.49 2pru h THR 59 CO 0.14 0.22 0.16 0.25 -0.25 0.00 0.00 175.52 176.04 2pru h LEU 60 N 0.78 0.07 0.05 3.87 5.85 -0.55 0.23 115.31 125.61 2pru h LEU 60 Ca 0.20 0.10 -0.31 0.00 0.84 0.00 0.00 57.88 58.72 2pru h LEU 60 Cb 0.08 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2pru h LEU 60 CO -0.03 0.04 -1.70 -0.78 -0.34 0.00 0.00 178.44 175.64 2pru h ASP 61 N 0.30 0.18 0.49 1.25 3.58 -1.36 -3.29 116.42 117.57 2pru h ASP 61 Ca 0.31 -0.34 -0.13 0.00 0.42 0.00 0.00 57.03 57.29 2pru h ASP 61 Cb 0.45 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 2pru h ASP 61 CO -0.38 1.30 -0.58 -1.13 -2.88 0.00 0.00 179.24 175.58 2pru h ASN 62 N 0.03 0.10 -0.09 2.28 -1.24 -0.32 -2.85 115.58 113.49 2pru h ASN 62 Ca -0.29 -0.05 -0.00 0.00 0.71 0.00 0.00 56.30 56.66 2pru h ASN 62 Cb 2.00 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 41.02 2pru h ASN 62 CO 0.10 0.65 0.04 -0.78 -1.29 0.00 0.00 177.43 176.16 2pru h ASP 63 N 0.07 0.13 -4.87 1.15 3.58 -0.67 -3.48 116.42 112.33 2pru h ASP 63 Ca -0.00 -0.13 -0.30 0.00 0.42 0.00 0.00 57.03 57.02 2pru h ASP 63 Cb 1.04 -0.03 0.12 0.00 1.72 0.00 0.00 39.33 42.17 2pru h ASP 63 CO 0.08 0.22 -0.56 0.61 -2.88 0.00 0.00 179.24 176.71 2pru n GLY 64 N -0.77 -0.23 3.88 -0.78 0.00 -1.08 -5.01 105.19 101.21 2pru n GLY 64 Ca -0.06 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.50 6.49 0.23 1.61 2.15 -1.26 -4.97 116.67 117.41 2pru s ASP 65 Ca 0.33 1.04 0.24 0.00 0.43 0.00 0.00 52.55 54.59 2pru s ASP 65 Cb -0.14 -2.28 0.93 0.00 -0.30 0.00 0.00 42.92 41.12 2pru s ASP 65 CO 0.58 -0.37 1.72 0.61 -0.17 0.00 0.00 175.17 177.54 2pru n GLY 66 N -1.28 -1.38 3.36 2.66 0.00 -1.26 -4.15 105.19 103.14 2pru n GLY 66 Ca 0.01 0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 2pru n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2pru s GLU 67 N -3.24 1.73 -0.04 1.61 -1.05 -1.26 -4.42 118.70 112.02 2pru s GLU 67 Ca 0.06 -1.85 -0.02 0.00 -0.15 0.00 0.00 54.97 53.01 2pru s GLU 67 Cb 0.10 0.37 0.02 0.00 -0.44 0.00 0.00 34.13 34.18 2pru s GLU 67 CO 0.44 -0.66 0.10 0.00 0.95 0.00 0.00 175.26 176.09 2pru s ASP 69 N 0.70 5.88 0.47 0.00 2.15 -1.26 -4.28 116.67 120.33 2pru s ASP 69 Ca -0.05 -0.15 0.15 0.00 0.43 0.00 0.00 52.55 52.92 2pru s ASP 69 Cb -0.07 -1.17 1.11 0.00 -0.30 0.00 0.00 42.92 42.48 2pru s ASP 69 CO -0.03 -0.54 2.05 2.19 -0.17 0.00 0.00 175.17 178.67 2pru h PHE 70 N 0.76 0.27 -0.53 -5.34 -5.15 -1.97 -0.65 116.94 104.32 2pru h PHE 70 Ca -0.45 0.01 -0.09 0.00 -0.20 0.00 0.00 57.97 57.24 2pru h PHE 70 Cb 1.26 -0.09 -0.02 0.00 0.22 0.00 0.00 35.95 37.32 2pru h PHE 70 CO 0.42 0.15 -0.03 1.96 -2.00 0.00 0.00 178.31 178.80 2pru h GLN 71 N 0.27 0.93 -0.42 6.09 4.20 -2.00 -2.25 115.11 121.94 2pru h GLN 71 Ca 0.17 -0.29 -0.15 0.00 0.06 0.00 0.00 58.65 58.43 2pru h GLN 71 Cb 0.32 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2pru h GLN 71 CO -0.03 0.95 -0.33 0.93 -0.67 0.00 0.00 178.83 179.68 2pru h GLU 72 N 0.85 0.96 -0.13 1.46 5.08 -1.51 -1.06 114.58 120.24 2pru h GLU 72 Ca 0.15 -0.47 0.05 0.00 -1.00 0.00 0.00 59.36 58.08 2pru h GLU 72 Cb 0.55 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 2pru h GLU 72 CO 0.03 1.14 -0.23 0.74 -1.00 0.00 0.00 179.01 179.69 2pru h PHE 73 N 0.79 -0.60 -0.35 4.33 -1.00 -1.29 -0.20 116.94 118.63 2pru h PHE 73 Ca 0.08 0.03 0.06 0.00 2.81 0.00 0.00 57.97 60.95 2pru h PHE 73 Cb 0.92 0.28 -0.05 0.00 3.61 0.00 0.00 35.95 40.71 2pru h PHE 73 CO 0.06 -0.31 0.01 1.98 -1.61 0.00 0.00 178.31 178.45 2pru h MET 74 N -0.29 0.11 0.33 1.51 1.85 -1.21 -1.88 114.93 115.34 2pru h MET 74 Ca 0.10 -0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.17 2pru h MET 74 Cb 0.43 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.44 2pru h MET 74 CO -0.29 0.07 -0.17 0.00 -0.40 0.00 0.00 176.91 176.12 2pru h ALA 75 N 1.29 -0.47 -0.29 0.39 0.00 -0.68 -2.25 119.26 117.25 2pru h ALA 75 Ca 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2pru h ALA 75 Cb 0.22 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2pru h ALA 75 CO -0.27 -0.76 0.12 0.74 0.00 0.00 0.00 179.25 179.08 2pru h PHE 76 N -0.47 0.43 -0.20 0.00 -1.00 -0.90 -2.31 116.94 112.49 2pru h PHE 76 Ca -0.04 -0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.67 2pru h PHE 76 Cb 0.37 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 2pru h PHE 76 CO -0.06 0.42 -0.01 -0.24 -1.61 0.00 0.00 178.31 176.80 2pru h VAL 77 N 0.33 1.26 0.00 -0.55 3.04 -1.32 -2.66 116.25 116.34 2pru h VAL 77 Ca 0.10 -0.90 -0.13 0.00 -1.01 0.00 0.00 66.70 64.76 2pru h VAL 77 Cb 0.16 1.47 -0.02 0.00 -2.01 0.00 0.00 31.29 30.89 2pru h VAL 77 CO -0.01 0.27 -0.60 0.00 -1.01 0.00 0.00 177.57 176.23 2pru h ALA 78 N 0.77 0.88 0.00 3.17 0.00 -1.42 -1.04 119.26 121.61 2pru h ALA 78 Ca 0.05 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 2pru h ALA 78 Cb 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2pru h ALA 78 CO 0.01 0.75 -0.32 0.00 0.00 0.00 0.00 179.25 179.69 2pru h MET 79 N 0.00 0.00 0.00 0.00 -0.00 -1.39 0.92 114.93 114.45 2pru h MET 79 Ca -0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.65 2pru h MET 79 Cb 1.15 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.75 2pru h MET 79 CO 0.08 0.32 -0.25 -0.39 -0.00 0.00 0.00 176.91 176.67 2pru h VAL 80 N 0.00 1.15 0.15 -0.10 -1.51 -1.19 -3.34 116.25 111.42 2pru h VAL 80 Ca -0.00 -1.95 -0.32 0.00 -1.23 0.00 0.00 66.70 63.20 2pru h VAL 80 Cb 1.13 2.26 0.00 0.00 -2.13 0.00 0.00 31.29 32.56 2pru h VAL 80 CO 0.04 0.39 -1.61 0.74 -1.23 0.00 0.00 177.57 175.90 2pru h THR 81 N -1.00 0.96 0.17 7.19 2.02 -1.29 -3.37 112.91 117.59 2pru h THR 81 Ca -0.06 -2.45 -0.35 0.00 0.77 0.00 0.00 66.41 64.32 2pru h THR 81 Cb 0.81 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.94 2pru h THR 81 CO -0.04 0.79 -1.82 0.74 0.37 0.00 0.00 175.52 175.57 2pru h THR 82 N -0.09 0.85 -0.13 3.16 2.02 -1.07 -3.42 112.91 114.23 2pru h THR 82 Ca -0.33 -2.47 -0.65 0.00 0.77 0.00 0.00 66.41 63.73 2pru h THR 82 Cb 1.94 2.69 -0.00 0.00 -1.74 0.00 0.00 68.15 71.03 2pru h THR 82 CO 0.12 0.87 2.50 0.00 0.37 0.00 0.00 175.52 179.37 2pru n ALA 83 N -2.89 4.05 -0.05 6.16 0.00 0.08 -4.26 120.51 123.60 2pru n ALA 83 Ca -0.26 -3.55 -0.19 0.00 0.00 0.00 0.00 53.44 49.43 2pru n ALA 83 Cb 1.07 -3.58 -0.13 0.00 0.00 0.00 0.00 19.45 16.80 2pru n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pru s HIS 85 N -2.36 0.34 -1.05 0.00 3.76 -1.26 -4.94 115.29 109.77 2pru s HIS 85 Ca -0.22 -0.69 -0.23 0.00 -0.15 0.00 0.00 55.06 53.78 2pru s HIS 85 Cb 0.02 0.09 0.03 0.00 1.11 0.00 0.00 32.58 33.83 2pru s HIS 85 CO 0.70 -0.86 1.61 -2.00 -0.85 0.00 0.00 174.74 173.34 2pru s GLU 86 N -3.98 3.39 -0.71 1.40 2.12 -1.26 -4.24 118.70 115.42 2pru s GLU 86 Ca 0.19 -1.09 -0.01 0.00 0.36 0.00 0.00 54.97 54.41 2pru s GLU 86 Cb 0.01 -5.32 0.00 0.00 0.26 0.00 0.00 34.13 29.08 2pru s GLU 86 CO 0.04 -2.53 0.69 1.19 -0.54 0.00 0.00 175.26 174.10 2pru n PHE 87 N 10.08 -3.01 0.11 5.30 3.72 -1.26 -5.00 117.46 127.40 2pru n PHE 87 Ca 0.37 1.15 0.00 0.00 -0.05 0.00 0.00 57.45 58.93 2pru n PHE 87 Cb 0.49 -4.07 0.00 0.00 -0.94 0.00 0.00 39.48 34.96 2pru n PHE 87 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2pru n PHE 88 N -1.66 -1.56 1.14 1.38 3.72 -1.26 -4.56 117.46 114.65 2pru n PHE 88 Ca 0.00 0.28 0.11 0.00 -0.05 0.00 0.00 57.45 57.78 2pru n PHE 88 Cb 0.50 0.37 0.58 0.00 -0.94 0.00 0.00 39.48 39.99 2pru n PHE 88 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2pru n GLU 89 N -3.44 0.44 0.00 -1.08 4.71 -1.26 -4.15 120.64 115.86 2pru n GLU 89 Ca 0.00 0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.21 2pru n GLU 89 Cb 0.00 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 28.93 2pru n GLU 89 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 2pru n HIS 90 N -1.18 0.00 -0.53 -0.32 -0.00 -1.26 -5.17 115.22 106.75 2pru n HIS 90 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 2pru n HIS 90 Cb 0.13 0.45 0.00 0.00 -0.00 0.00 0.00 29.99 30.58 2pru n HIS 90 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73