#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 0.42 0.01 4.33 4.57 -2.05 -2.10 114.58 119.76 2pru h GLU 2 Ca 0.00 -0.22 -0.22 0.00 -1.18 0.00 0.00 59.36 57.74 2pru h GLU 2 Cb 0.00 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.60 2pru h GLU 2 CO 0.00 0.79 -0.94 1.25 -1.18 0.00 0.00 179.01 178.93 2pru h LEU 3 N 0.06 0.38 -0.87 1.64 7.12 -2.04 -0.91 115.31 120.68 2pru h LEU 3 Ca 0.03 -0.32 0.12 0.00 0.13 0.00 0.00 57.88 57.84 2pru h LEU 3 Cb 0.72 -0.12 -0.08 0.00 -0.53 0.00 0.00 40.66 40.65 2pru h LEU 3 CO 0.04 1.13 0.49 -0.33 -0.13 0.00 0.00 178.44 179.64 2pru h GLU 4 N 0.15 0.75 0.26 1.25 5.08 -1.98 0.26 114.58 120.34 2pru h GLU 4 Ca -0.07 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2pru h GLU 4 Cb 1.58 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.67 2pru h GLU 4 CO 0.15 0.50 -0.12 0.87 -1.00 0.00 0.00 179.01 179.40 2pru h LYS 5 N 0.77 -0.33 -0.25 2.33 1.57 -1.15 -3.20 116.57 116.30 2pru h LYS 5 Ca 0.44 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.30 2pru h LYS 5 Cb 0.49 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 2pru h LYS 5 CO -0.29 0.02 -0.10 0.00 -0.57 0.00 0.00 179.45 178.51 2pru h ALA 6 N -0.40 0.12 -0.37 3.86 0.00 -0.39 0.30 119.26 122.38 2pru h ALA 6 Ca -0.04 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 2pru h ALA 6 Cb 0.51 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2pru h ALA 6 CO 0.06 -0.50 -0.24 1.98 0.00 0.00 0.00 179.25 180.55 2pru h MET 7 N -0.05 0.74 -0.34 0.00 1.85 -0.68 -1.12 114.93 115.33 2pru h MET 7 Ca 0.13 -0.30 -0.16 0.00 -0.61 0.00 0.00 59.70 58.76 2pru h MET 7 Cb 0.25 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.24 2pru h MET 7 CO -0.29 0.90 -0.42 0.28 -0.40 0.00 0.00 176.91 176.99 2pru h VAL 8 N 0.64 1.28 -0.31 -5.77 2.07 -1.46 -2.91 116.25 109.79 2pru h VAL 8 Ca 0.09 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.02 2pru h VAL 8 Cb 0.74 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2pru h VAL 8 CO 0.06 0.53 0.20 0.00 0.02 0.00 0.00 177.57 178.38 2pru h ALA 9 N 0.83 0.40 -0.08 1.67 0.00 0.07 0.19 119.26 122.33 2pru h ALA 9 Ca 0.05 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2pru h ALA 9 Cb 1.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2pru h ALA 9 CO 0.10 -0.13 -0.30 1.37 0.00 0.00 0.00 179.25 180.29 2pru h LEU 10 N 0.42 0.14 0.00 0.00 8.10 -1.20 0.22 115.31 123.00 2pru h LEU 10 Ca 0.11 -0.04 -0.13 0.00 0.11 0.00 0.00 57.88 57.93 2pru h LEU 10 Cb -0.04 -0.04 -0.02 0.00 -0.44 0.00 0.00 40.66 40.12 2pru h LEU 10 CO -0.02 0.44 -0.89 0.16 -4.11 0.00 0.00 178.44 174.02 2pru h ILE 11 N 0.13 0.72 0.21 0.15 3.07 -1.28 -3.16 117.51 117.35 2pru h ILE 11 Ca 0.02 -2.14 -0.33 0.00 1.55 0.00 0.00 64.86 63.96 2pru h ILE 11 Cb 0.60 2.26 0.02 0.00 -0.27 0.00 0.00 36.82 39.43 2pru h ILE 11 CO 0.04 0.41 -1.53 -0.78 -1.05 0.00 0.00 178.15 175.24 2pru h ASP 12 N 0.00 0.71 0.22 2.16 3.58 -0.06 -1.58 116.42 121.45 2pru h ASP 12 Ca -0.07 -0.84 -0.08 0.00 0.42 0.00 0.00 57.03 56.47 2pru h ASP 12 Cb 1.46 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.27 2pru h ASP 12 CO 0.06 1.67 -0.30 1.62 -2.88 0.00 0.00 179.24 179.41 2pru h VAL 13 N 0.12 1.25 0.33 2.25 3.04 -0.72 0.25 116.25 122.77 2pru h VAL 13 Ca -0.27 -1.18 -0.02 0.00 -1.01 0.00 0.00 66.70 64.23 2pru h VAL 13 Cb 2.12 1.53 0.00 0.00 -2.01 0.00 0.00 31.29 32.94 2pru h VAL 13 CO 0.24 0.35 -0.16 0.15 -1.01 0.00 0.00 177.57 177.14 2pru h PHE 14 N 0.13 -0.41 0.19 3.17 3.57 -1.52 -0.58 116.94 121.50 2pru h PHE 14 Ca 0.02 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2pru h PHE 14 Cb 0.61 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 2pru h PHE 14 CO 0.01 -0.18 -0.15 1.25 -2.23 0.00 0.00 178.31 177.00 2pru h HIS 15 N -0.56 -0.39 0.00 0.41 2.76 -0.81 -3.04 115.15 113.52 2pru h HIS 15 Ca -0.05 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.12 2pru h HIS 15 Cb 0.41 0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.52 2pru h HIS 15 CO -0.02 -0.23 0.00 1.04 -1.30 0.00 0.00 177.93 177.41 2pru n GLN 16 N -5.27 0.09 0.08 5.26 6.02 0.83 -2.70 117.38 121.69 2pru n GLN 16 Ca -0.08 0.03 -0.09 0.00 -0.01 0.00 0.00 57.00 56.85 2pru n GLN 16 Cb 0.19 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.95 2pru n GLN 16 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 2pru h TYR 17 N 0.00 0.39 -1.76 1.08 3.20 -0.97 -3.40 116.97 115.51 2pru h TYR 17 Ca 0.00 -0.20 -0.30 0.00 3.14 0.00 0.00 58.73 61.36 2pru h TYR 17 Cb 0.42 -0.05 -0.29 0.00 1.54 0.00 0.00 36.73 38.36 2pru h TYR 17 CO 0.00 0.99 -0.64 -1.12 -1.64 0.00 0.00 178.16 175.76 2pru s SER 18 N -6.96 0.61 0.05 -2.11 0.01 -1.18 -5.04 113.70 99.08 2pru s SER 18 Ca -0.04 -1.40 -0.04 0.00 1.31 0.00 0.00 55.95 55.78 2pru s SER 18 Cb 0.10 0.85 -0.28 0.00 0.21 0.00 0.00 66.02 66.90 2pru s SER 18 CO 0.83 -0.24 1.05 1.23 0.41 0.00 0.00 173.24 176.52 2pru h GLY 19 N 7.07 0.31 2.00 3.44 0.00 -1.74 -0.97 103.07 113.18 2pru h GLY 19 Ca 0.05 -0.80 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 2pru h GLY 19 CO 0.18 0.70 -0.16 0.07 0.00 0.00 0.00 176.54 177.34 2pru h ARG 20 N 0.07 0.00 0.00 4.80 -0.00 -1.96 -1.71 114.38 115.58 2pru h ARG 20 Ca -0.17 0.00 -0.24 0.00 -0.00 0.00 0.00 59.98 59.57 2pru h ARG 20 Cb 1.99 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 31.93 2pru h ARG 20 CO 0.19 0.16 -1.68 -0.85 -0.00 0.00 0.00 179.97 177.79 2pru n GLU 21 N -3.95 0.55 -0.20 0.08 0.00 -1.25 -4.54 120.64 111.34 2pru n GLU 21 Ca -0.02 0.32 -0.01 0.00 0.00 0.00 0.00 57.16 57.45 2pru n GLU 21 Cb 0.24 -1.53 0.10 0.00 0.00 0.00 0.00 31.44 30.25 2pru n GLU 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2pru h GLY 22 N -1.00 0.85 2.00 -1.84 0.00 -1.02 0.46 103.07 102.52 2pru h GLY 22 Ca -0.37 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 2pru h GLY 22 CO -0.22 0.02 -0.02 -1.80 0.00 0.00 0.00 176.54 174.52 2pru h ASP 23 N 0.45 0.00 0.00 0.19 3.58 -1.49 -1.06 116.42 118.09 2pru h ASP 23 Ca 0.29 0.00 -0.43 0.00 0.42 0.00 0.00 57.03 57.32 2pru h ASP 23 Cb 0.32 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.30 2pru h ASP 23 CO -0.27 0.02 -2.49 0.29 -2.88 0.00 0.00 179.24 173.91 2pru n LYS 24 N -3.15 0.62 -2.75 0.28 4.76 -0.51 -4.81 118.16 112.59 2pru n LYS 24 Ca -0.01 0.22 -0.01 0.00 -2.87 0.00 0.00 58.31 55.64 2pru n LYS 24 Cb 0.23 -1.51 0.09 0.00 -1.84 0.00 0.00 35.03 32.00 2pru n LYS 24 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 2pru n HIS 25 N -3.81 -0.48 -4.69 2.13 -0.00 0.04 -5.13 115.22 103.28 2pru n HIS 25 Ca -0.50 -1.94 0.01 0.00 0.46 0.00 0.00 57.72 55.74 2pru n HIS 25 Cb 0.93 0.70 -0.00 0.00 -0.12 0.00 0.00 29.99 31.50 2pru n HIS 25 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2pru n LYS 26 N -1.06 -0.10 -4.97 1.57 4.76 -0.40 -4.77 118.16 113.19 2pru n LYS 26 Ca -0.05 0.06 -0.32 0.00 -2.87 0.00 0.00 58.31 55.12 2pru n LYS 26 Cb 0.84 -0.12 -0.14 0.00 -1.84 0.00 0.00 35.03 33.77 2pru n LYS 26 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2pru s LEU 27 N 0.00 2.57 0.59 -0.35 1.43 -1.26 -2.86 118.68 118.80 2pru s LEU 27 Ca 0.00 -0.28 -0.16 0.00 -1.03 0.00 0.00 54.13 52.66 2pru s LEU 27 Cb 0.00 -1.51 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2pru s LEU 27 CO 0.00 0.31 1.05 -1.59 0.23 0.00 0.00 176.35 176.34 2pru s LYS 28 N -0.52 3.41 0.59 1.70 0.00 -1.26 0.06 119.74 123.71 2pru s LYS 28 Ca 0.07 1.14 0.29 0.00 0.00 0.00 0.00 55.97 57.47 2pru s LYS 28 Cb -0.11 -2.05 1.71 0.00 0.00 0.00 0.00 37.83 37.38 2pru s LYS 28 CO 0.01 -0.73 2.14 0.87 0.00 0.00 0.00 175.35 177.64 2pru h LYS 29 N 0.44 0.00 0.00 1.78 1.57 -1.80 0.14 116.57 118.70 2pru h LYS 29 Ca -0.47 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 2pru h LYS 29 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.52 2pru h LYS 29 CO 0.58 0.00 -0.09 0.77 -0.57 0.00 0.00 179.45 180.14 2pru h SER 30 N 0.00 0.00 0.91 0.86 0.02 -1.82 -0.96 113.55 112.56 2pru h SER 30 Ca 0.06 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.81 2pru h SER 30 Cb 0.35 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 2pru h SER 30 CO -0.00 0.09 -1.16 -0.33 -1.14 0.00 0.00 176.83 174.28 2pru h GLU 31 N 0.00 0.00 0.00 3.45 4.39 -1.08 -3.17 114.58 118.16 2pru h GLU 31 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2pru h GLU 31 Cb 0.22 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2pru h GLU 31 CO 0.01 0.64 -0.16 1.25 -1.16 0.00 0.00 179.01 179.59 2pru h LEU 32 N 0.00 0.00 -0.64 1.33 7.12 -1.10 -2.14 115.31 119.88 2pru h LEU 32 Ca -0.11 0.00 0.11 0.00 0.13 0.00 0.00 57.88 58.02 2pru h LEU 32 Cb 1.72 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 41.77 2pru h LEU 32 CO 0.09 0.16 0.20 0.50 -0.13 0.00 0.00 178.44 179.26 2pru h LYS 33 N 0.00 0.34 0.03 1.25 3.11 -1.36 0.25 116.57 120.19 2pru h LYS 33 Ca -0.00 -0.02 -0.22 0.00 -2.81 0.00 0.00 60.65 57.60 2pru h LYS 33 Cb 0.33 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.48 2pru h LYS 33 CO 0.02 0.22 -0.98 0.93 -2.81 0.00 0.00 179.45 176.83 2pru h GLU 34 N 0.35 0.23 -0.19 1.90 5.08 -1.56 -2.95 114.58 117.44 2pru h GLU 34 Ca 0.34 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2pru h GLU 34 Cb 0.48 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2pru h GLU 34 CO -0.37 1.04 -0.21 1.25 -1.00 0.00 0.00 179.01 179.71 2pru h LEU 35 N 0.11 0.32 -0.24 1.33 5.85 -0.88 -2.46 115.31 119.35 2pru h LEU 35 Ca -0.07 -0.09 -0.21 0.00 0.84 0.00 0.00 57.88 58.35 2pru h LEU 35 Cb 1.65 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 42.59 2pru h LEU 35 CO 0.15 0.55 -0.76 0.16 -0.34 0.00 0.00 178.44 178.20 2pru h ILE 36 N 0.30 1.31 -0.07 4.05 3.07 -0.55 -0.66 117.51 124.96 2pru h ILE 36 Ca 0.05 -2.02 -0.02 0.00 1.55 0.00 0.00 64.86 64.42 2pru h ILE 36 Cb 0.55 2.02 -0.01 0.00 -0.27 0.00 0.00 36.82 39.11 2pru h ILE 36 CO 0.04 0.63 -0.03 0.78 -1.05 0.00 0.00 178.15 178.52 2pru h ASN 37 N 0.46 0.09 0.00 2.16 2.35 -1.30 0.63 115.58 119.97 2pru h ASN 37 Ca -0.05 -0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.52 2pru h ASN 37 Cb 1.38 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.70 2pru h ASN 37 CO 0.15 0.15 -1.47 0.59 -1.65 0.00 0.00 177.43 175.19 2pru n ASN 38 N -4.44 1.72 -0.12 5.81 3.02 -0.96 -4.71 115.26 115.60 2pru n ASN 38 Ca -0.02 0.29 -0.24 0.00 -0.03 0.00 0.00 54.58 54.58 2pru n ASN 38 Cb 0.15 -0.67 -0.08 0.00 -0.61 0.00 0.00 39.78 38.57 2pru n ASN 38 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2pru n GLU 39 N -4.18 0.50 -0.05 3.52 4.07 -0.33 -4.26 120.64 119.92 2pru n GLU 39 Ca -0.27 0.22 -0.01 0.00 -0.06 0.00 0.00 57.16 57.04 2pru n GLU 39 Cb 0.60 -1.35 0.26 0.00 -0.06 0.00 0.00 31.44 30.90 2pru n GLU 39 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2pru h LEU 40 N -0.86 0.59 -7.49 4.31 4.07 -1.45 -3.28 115.31 111.20 2pru h LEU 40 Ca -0.56 -0.11 -0.62 0.00 0.08 0.00 0.00 57.88 56.67 2pru h LEU 40 Cb 1.48 -0.15 -0.40 0.00 1.08 0.00 0.00 40.66 42.66 2pru h LEU 40 CO -0.34 0.63 -0.75 -0.55 -1.08 0.00 0.00 178.44 176.35 2pru s SER 41 N -6.68 4.30 -0.19 -0.43 0.15 0.21 -4.92 113.70 106.15 2pru s SER 41 Ca -0.08 -1.76 0.16 0.00 0.70 0.00 0.00 55.95 54.97 2pru s SER 41 Cb 0.15 -1.26 0.55 0.00 -1.71 0.00 0.00 66.02 63.76 2pru s SER 41 CO 0.78 -0.36 1.45 1.57 1.20 0.00 0.00 173.24 177.88 2pru n HIS 42 N 4.56 1.05 0.05 3.44 -0.00 -1.24 -4.05 115.22 119.02 2pru n HIS 42 Ca -0.02 -0.90 -0.00 0.00 0.46 0.00 0.00 57.72 57.26 2pru n HIS 42 Cb 0.42 -0.34 -0.00 0.00 -0.12 0.00 0.00 29.99 29.95 2pru n HIS 42 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 2pru n PHE 43 N -0.46 0.00 0.00 1.57 3.01 -1.26 -5.02 117.46 115.30 2pru n PHE 43 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.68 2pru n PHE 43 Cb 0.93 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.39 2pru n PHE 43 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2pru n LEU 44 N -3.51 0.00 0.17 4.37 4.32 -1.26 -3.96 117.00 117.14 2pru n LEU 44 Ca -0.00 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.04 2pru n LEU 44 Cb 0.01 0.00 0.11 0.00 -1.62 0.00 0.00 43.42 41.92 2pru n LEU 44 CO 0.00 0.00 0.59 -0.33 -1.22 0.00 0.00 177.39 176.44 2pru h GLU 45 N 0.00 0.00 0.00 3.23 5.08 -1.99 -3.45 114.58 117.45 2pru h GLU 45 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pru h GLU 45 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2pru h GLU 45 CO 0.00 0.35 0.00 0.39 -1.00 0.00 0.00 179.01 178.75 2pru n GLU 46 N -3.22 0.31 0.00 2.33 -0.58 -1.25 -4.92 120.64 113.31 2pru n GLU 46 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2pru n GLU 46 Cb 0.65 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.52 2pru n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2pru n ILE 47 N -1.61 0.00 -2.79 -3.67 5.41 -1.26 -4.63 119.36 110.82 2pru n ILE 47 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.73 2pru n ILE 47 Cb 0.00 0.00 0.02 0.00 -0.71 0.00 0.00 39.64 38.95 2pru n ILE 47 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2pru s LYS 48 N 0.00 0.49 0.00 0.38 2.47 -1.26 -5.02 119.74 116.80 2pru s LYS 48 Ca 0.00 -0.39 0.00 0.00 -1.56 0.00 0.00 55.97 54.02 2pru s LYS 48 Cb 0.00 0.00 0.00 0.00 -1.46 0.00 0.00 37.83 36.37 2pru s LYS 48 CO 0.00 -0.64 0.25 -0.85 0.16 0.00 0.00 175.35 174.27 2pru n GLU 49 N 3.16 0.00 0.26 4.03 0.28 -1.26 -4.78 120.64 122.33 2pru n GLU 49 Ca 0.12 -0.25 0.09 0.00 -0.16 0.00 0.00 57.16 56.96 2pru n GLU 49 Cb 0.61 -0.35 0.69 0.00 1.43 0.00 0.00 31.44 33.82 2pru n GLU 49 CO 0.00 0.00 0.00 -0.56 -0.16 0.00 0.00 177.13 176.41 2pru h GLN 50 N 0.00 0.00 0.03 3.44 3.07 -1.93 0.30 115.11 120.02 2pru h GLN 50 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.74 2pru h GLN 50 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.43 2pru h GLN 50 CO 0.00 0.04 -0.01 0.93 0.09 0.00 0.00 178.83 179.88 2pru h GLU 51 N 0.00 -0.03 -0.73 0.06 3.07 -2.00 -3.26 114.58 111.69 2pru h GLU 51 Ca -0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 2pru h GLU 51 Cb 0.07 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 2pru h GLU 51 CO 0.01 0.64 0.20 0.28 -1.40 0.00 0.00 179.01 178.74 2pru h VAL 52 N -0.77 1.26 -0.97 3.13 2.07 -1.58 -2.57 116.25 116.81 2pru h VAL 52 Ca -0.00 -0.94 0.07 0.00 0.82 0.00 0.00 66.70 66.64 2pru h VAL 52 Cb 0.69 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 2pru h VAL 52 CO 0.01 0.37 0.62 0.58 0.02 0.00 0.00 177.57 179.16 2pru h VAL 53 N 1.09 1.07 -0.30 2.57 2.07 -0.57 0.53 116.25 122.70 2pru h VAL 53 Ca 0.23 -0.39 -0.10 0.00 0.82 0.00 0.00 66.70 67.27 2pru h VAL 53 Cb 0.34 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 2pru h VAL 53 CO -0.00 0.21 -0.18 -0.78 0.02 0.00 0.00 177.57 176.83 2pru h ASP 54 N 1.13 0.69 -0.42 0.57 1.82 -1.51 0.11 116.42 118.81 2pru h ASP 54 Ca 0.42 -0.42 -0.05 0.00 -0.39 0.00 0.00 57.03 56.58 2pru h ASP 54 Cb 0.18 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 39.97 2pru h ASP 54 CO -0.18 0.96 0.08 0.11 -1.61 0.00 0.00 179.24 178.61 2pru h LYS 55 N 0.42 0.76 -0.51 0.28 1.57 -1.10 -1.60 116.57 116.38 2pru h LYS 55 Ca 0.06 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2pru h LYS 55 Cb 0.72 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 2pru h LYS 55 CO 0.05 0.72 0.32 0.28 -0.57 0.00 0.00 179.45 180.25 2pru h VAL 56 N 0.73 1.15 0.00 0.50 2.07 0.38 -1.70 116.25 119.37 2pru h VAL 56 Ca 0.16 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 2pru h VAL 56 Cb 0.33 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2pru h VAL 56 CO 0.00 0.15 -0.05 0.24 0.02 0.00 0.00 177.57 177.93 2pru h MET 57 N 0.69 0.00 0.16 1.57 2.86 0.16 0.44 114.93 120.81 2pru h MET 57 Ca 0.18 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 2pru h MET 57 Cb -0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.63 2pru h MET 57 CO -0.04 0.05 -0.08 0.93 1.06 0.00 0.00 176.91 178.84 2pru h GLU 58 N 0.00 -0.20 -0.60 1.72 5.08 -0.89 -3.22 114.58 116.47 2pru h GLU 58 Ca -0.00 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 2pru h GLU 58 Cb 0.22 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2pru h GLU 58 CO 0.01 -0.06 0.13 1.79 -1.00 0.00 0.00 179.01 179.87 2pru h THR 59 N -1.04 1.25 -0.98 1.13 1.35 -0.96 -1.39 112.91 112.27 2pru h THR 59 Ca -0.02 -0.93 0.02 0.00 -0.55 0.00 0.00 66.41 64.93 2pru h THR 59 Cb 0.23 0.71 -0.05 0.00 -1.73 0.00 0.00 68.15 67.31 2pru h THR 59 CO 0.04 0.34 0.65 0.25 -0.25 0.00 0.00 175.52 176.55 2pru h LEU 60 N 0.87 1.10 -0.07 3.87 5.85 -0.31 0.38 115.31 126.99 2pru h LEU 60 Ca 0.19 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 2pru h LEU 60 Cb 0.37 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2pru h LEU 60 CO 0.00 0.77 -0.13 -0.78 -0.34 0.00 0.00 178.44 177.97 2pru h ASP 61 N 1.28 0.24 0.31 1.25 3.58 -1.49 -1.10 116.42 120.49 2pru h ASP 61 Ca 0.38 -0.55 -0.02 0.00 0.42 0.00 0.00 57.03 57.26 2pru h ASP 61 Cb -0.07 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 40.91 2pru h ASP 61 CO -0.10 0.74 -0.15 0.78 -2.88 0.00 0.00 179.24 177.63 2pru h ASN 62 N -0.26 -0.35 0.95 2.28 -0.26 -0.87 -3.11 115.58 113.95 2pru h ASN 62 Ca 0.00 -0.18 0.00 0.00 -0.56 0.00 0.00 56.30 55.56 2pru h ASN 62 Cb 0.70 0.09 0.00 0.00 -1.06 0.00 0.00 38.32 38.05 2pru h ASN 62 CO 0.03 0.04 0.00 0.47 -1.06 0.00 0.00 177.43 176.91 2pru n ASP 63 N -5.12 0.69 -2.30 5.81 8.00 0.13 -3.66 116.55 120.10 2pru n ASP 63 Ca -0.09 0.63 -0.15 0.00 0.71 0.00 0.00 54.79 55.89 2pru n ASP 63 Cb 0.27 -0.79 -0.12 0.00 -0.02 0.00 0.00 41.12 40.45 2pru n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pru n GLY 64 N 0.42 2.93 0.12 0.44 0.00 -0.42 -4.37 105.19 104.31 2pru n GLY 64 Ca 0.03 -1.08 -0.18 0.00 0.00 0.00 0.00 46.02 44.79 2pru n GLY 64 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2pru h ASP 65 N 3.83 0.49 0.00 1.61 3.58 -1.78 -3.41 116.42 120.74 2pru h ASP 65 Ca 0.28 -0.61 0.00 0.00 0.42 0.00 0.00 57.03 57.12 2pru h ASP 65 Cb 1.09 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.98 2pru h ASP 65 CO 0.54 1.49 0.00 0.61 -2.88 0.00 0.00 179.24 179.00 2pru n GLY 66 N 1.65 -0.13 3.12 -0.78 0.00 -1.26 -5.06 105.19 102.73 2pru n GLY 66 Ca -0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.27 0.50 -4.21 1.61 -0.00 -1.26 -4.08 120.64 109.93 2pru n GLU 67 Ca 0.00 -2.97 -0.29 0.00 -0.00 0.00 0.00 57.16 53.90 2pru n GLU 67 Cb 0.00 2.60 -0.17 0.00 -0.00 0.00 0.00 31.44 33.87 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 1.27 5.88 0.48 0.00 -1.08 -1.26 -4.61 116.67 117.36 2pru s ASP 69 Ca -0.01 1.24 0.14 0.00 -0.52 0.00 0.00 52.55 53.39 2pru s ASP 69 Cb -0.14 -2.20 1.14 0.00 -1.46 0.00 0.00 42.92 40.26 2pru s ASP 69 CO -0.06 -1.05 2.11 2.19 0.52 0.00 0.00 175.17 178.88 2pru h PHE 70 N -0.41 0.13 -0.25 -5.34 -5.15 -2.00 -0.56 116.94 103.37 2pru h PHE 70 Ca -0.45 0.00 -0.15 0.00 -0.20 0.00 0.00 57.97 57.18 2pru h PHE 70 Cb 1.22 -0.04 -0.01 0.00 0.22 0.00 0.00 35.95 37.34 2pru h PHE 70 CO 0.58 0.10 -0.46 0.37 -2.00 0.00 0.00 178.31 176.90 2pru h GLN 71 N 0.14 0.64 0.00 6.09 4.15 -2.00 -3.07 115.11 121.06 2pru h GLN 71 Ca 0.04 -0.36 -0.09 0.00 0.77 0.00 0.00 58.65 59.01 2pru h GLN 71 Cb 0.01 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 2pru h GLN 71 CO -0.01 0.97 -0.42 0.93 -1.93 0.00 0.00 178.83 178.37 2pru h GLU 72 N 0.51 0.00 0.53 1.69 5.08 -1.48 0.20 114.58 121.12 2pru h GLU 72 Ca 0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2pru h GLU 72 Cb 1.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2pru h GLU 72 CO 0.09 0.42 -0.46 0.35 -1.00 0.00 0.00 179.01 178.42 2pru h PHE 73 N 0.00 -1.25 -0.71 4.33 3.04 -1.30 -0.77 116.94 120.29 2pru h PHE 73 Ca -0.00 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.92 2pru h PHE 73 Cb 0.94 0.47 -0.03 0.00 2.56 0.00 0.00 35.95 39.89 2pru h PHE 73 CO 0.00 -0.64 0.31 1.98 -2.02 0.00 0.00 178.31 177.95 2pru h MET 74 N -0.98 1.03 0.23 1.11 4.05 -1.45 -2.78 114.93 116.16 2pru h MET 74 Ca -0.06 -0.17 0.01 0.00 -0.28 0.00 0.00 59.70 59.20 2pru h MET 74 Cb 0.84 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 31.43 2pru h MET 74 CO -0.02 0.83 -0.28 0.00 0.23 0.00 0.00 176.91 177.67 2pru h ALA 75 N 1.15 -0.56 -0.54 0.39 0.00 -0.39 0.19 119.26 119.50 2pru h ALA 75 Ca 0.24 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2pru h ALA 75 Cb 0.16 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2pru h ALA 75 CO -0.03 -0.85 0.04 0.74 0.00 0.00 0.00 179.25 179.15 2pru h PHE 76 N -0.57 1.00 -0.09 0.00 -1.00 -1.13 -1.75 116.94 113.40 2pru h PHE 76 Ca 0.00 -0.16 -0.24 0.00 2.81 0.00 0.00 57.97 60.39 2pru h PHE 76 Cb 0.54 -0.27 0.01 0.00 3.61 0.00 0.00 35.95 39.85 2pru h PHE 76 CO -0.20 0.90 -0.86 -0.24 -1.61 0.00 0.00 178.31 176.30 2pru h VAL 77 N 0.81 1.28 0.00 -0.55 3.04 -1.35 -2.85 116.25 116.64 2pru h VAL 77 Ca 0.16 -2.07 -0.09 0.00 -1.01 0.00 0.00 66.70 63.68 2pru h VAL 77 Cb 0.48 2.16 -0.01 0.00 -2.01 0.00 0.00 31.29 31.91 2pru h VAL 77 CO 0.02 0.65 -0.44 0.00 -1.01 0.00 0.00 177.57 176.79 2pru h ALA 78 N 0.48 0.96 0.00 3.17 0.00 -0.61 -1.78 119.26 121.48 2pru h ALA 78 Ca -0.08 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.29 2pru h ALA 78 Cb 1.51 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 2pru h ALA 78 CO 0.17 0.55 -0.67 0.00 0.00 0.00 0.00 179.25 179.31 2pru h MET 79 N 0.00 0.00 0.05 0.00 -0.00 -1.31 0.13 114.93 113.81 2pru h MET 79 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2pru h MET 79 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.58 2pru h MET 79 CO 0.06 0.67 -0.03 -0.39 -0.00 0.00 0.00 176.91 177.22 2pru h VAL 80 N 0.00 1.16 0.19 -0.10 -1.51 -1.24 -3.26 116.25 111.48 2pru h VAL 80 Ca -0.01 -1.60 -0.33 0.00 -1.23 0.00 0.00 66.70 63.53 2pru h VAL 80 Cb 1.50 2.08 0.01 0.00 -2.13 0.00 0.00 31.29 32.75 2pru h VAL 80 CO 0.09 0.35 -1.57 0.74 -1.23 0.00 0.00 177.57 175.95 2pru h THR 81 N -0.90 1.15 0.00 7.19 2.02 -1.44 -3.39 112.91 117.54 2pru h THR 81 Ca -0.01 -2.69 -0.45 0.00 0.77 0.00 0.00 66.41 64.03 2pru h THR 81 Cb 0.63 2.87 -0.07 0.00 -1.74 0.00 0.00 68.15 69.84 2pru h THR 81 CO 0.01 0.84 -2.47 0.41 0.37 0.00 0.00 175.52 174.68 2pru n THR 82 N -3.59 1.53 0.25 3.16 -1.04 0.16 -4.55 114.28 110.19 2pru n THR 82 Ca -0.19 -0.36 0.17 0.00 -2.04 0.00 0.00 64.05 61.63 2pru n THR 82 Cb 1.07 -1.89 0.89 0.00 -1.82 0.00 0.00 70.33 68.58 2pru n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2pru h ALA 83 N -0.97 1.64 0.00 2.41 0.00 -0.90 0.22 119.26 121.66 2pru h ALA 83 Ca -0.68 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2pru h ALA 83 Cb 1.60 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2pru h ALA 83 CO -0.41 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 178.63 2pru n HIS 85 N -2.47 0.00 -2.75 0.00 8.25 -0.62 -5.07 115.22 112.56 2pru n HIS 85 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 2pru n HIS 85 Cb 0.16 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.28 2pru n HIS 85 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2pru n GLU 86 N -0.61 -2.66 0.00 -0.41 0.00 0.67 -4.45 120.64 113.17 2pru n GLU 86 Ca 0.00 2.29 0.00 0.00 0.00 0.00 0.00 57.16 59.45 2pru n GLU 86 Cb 0.03 -5.43 0.00 0.00 0.00 0.00 0.00 31.44 26.04 2pru n GLU 86 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2pru n PHE 87 N 0.02 0.00 0.00 4.31 3.01 -1.25 -4.78 117.46 118.77 2pru n PHE 87 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.54 2pru n PHE 87 Cb 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 2pru n PHE 87 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2pru n PHE 88 N 0.00 0.00 0.16 1.38 7.35 -1.26 -3.14 117.46 121.95 2pru n PHE 88 Ca 0.00 0.00 0.01 0.00 -0.76 0.00 0.00 57.45 56.70 2pru n PHE 88 Cb 0.00 0.00 0.33 0.00 0.35 0.00 0.00 39.48 40.16 2pru n PHE 88 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 2pru h GLU 89 N 0.00 0.08 0.00 -4.13 4.39 -1.91 -3.35 114.58 109.67 2pru h GLU 89 Ca 0.00 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 2pru h GLU 89 Cb 0.00 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2pru h GLU 89 CO 0.00 0.43 -0.99 1.58 -1.16 0.00 0.00 179.01 178.88 2pru n HIS 90 N -4.10 0.00 -0.62 4.33 -0.00 -1.19 -5.26 115.22 108.38 2pru n HIS 90 Ca -0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.16 2pru n HIS 90 Cb 0.41 -0.37 0.00 0.00 -0.12 0.00 0.00 29.99 29.91 2pru n HIS 90 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19