#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 0.41 -0.19 1.43 4.57 -2.05 -3.24 114.58 115.51 2pru h GLU 2 Ca 0.00 -0.66 -0.11 0.00 -1.18 0.00 0.00 59.36 57.41 2pru h GLU 2 Cb 0.00 0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 2pru h GLU 2 CO 0.00 1.30 -0.35 1.25 -1.18 0.00 0.00 179.01 180.03 2pru h LEU 3 N -0.14 0.43 -0.53 1.64 7.12 -2.05 -1.82 115.31 119.96 2pru h LEU 3 Ca -0.17 -0.17 0.06 0.00 0.13 0.00 0.00 57.88 57.72 2pru h LEU 3 Cb 1.79 -0.12 -0.09 0.00 -0.53 0.00 0.00 40.66 41.72 2pru h LEU 3 CO 0.19 0.75 -0.54 -0.08 -0.13 0.00 0.00 178.44 178.64 2pru h GLU 4 N 0.35 -0.28 0.00 1.25 4.57 -2.01 0.22 114.58 118.69 2pru h GLU 4 Ca 0.04 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 2pru h GLU 4 Cb 0.79 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.44 2pru h GLU 4 CO 0.06 -0.18 -0.10 1.57 -1.18 0.00 0.00 179.01 179.18 2pru h LYS 5 N -0.29 0.00 -0.21 1.92 2.10 -1.56 -3.07 116.57 115.45 2pru h LYS 5 Ca 0.09 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.68 2pru h LYS 5 Cb 0.52 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.85 2pru h LYS 5 CO -0.65 0.10 -0.11 0.00 -2.00 0.00 0.00 179.45 176.79 2pru h ALA 6 N 1.90 0.30 -0.82 0.07 0.00 -0.43 -1.64 119.26 118.64 2pru h ALA 6 Ca -0.00 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.62 2pru h ALA 6 Cb 1.06 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2pru h ALA 6 CO 0.01 0.15 0.54 1.98 0.00 0.00 0.00 179.25 181.93 2pru h MET 7 N 0.15 1.07 -0.62 0.00 1.85 -0.58 -0.85 114.93 115.95 2pru h MET 7 Ca 0.05 -0.06 -0.03 0.00 -0.61 0.00 0.00 59.70 59.04 2pru h MET 7 Cb 0.60 -0.24 -0.03 0.00 0.43 0.00 0.00 31.60 32.36 2pru h MET 7 CO 0.03 0.71 0.27 0.28 -0.40 0.00 0.00 176.91 177.80 2pru h VAL 8 N 1.11 1.21 -0.24 -5.77 2.07 -1.48 -3.10 116.25 110.05 2pru h VAL 8 Ca 0.30 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2pru h VAL 8 Cb -0.12 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 2pru h VAL 8 CO -0.07 0.26 0.11 0.00 0.02 0.00 0.00 177.57 177.90 2pru h ALA 9 N 1.41 0.30 -0.55 1.67 0.00 -0.15 0.48 119.26 122.43 2pru h ALA 9 Ca 0.21 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.06 2pru h ALA 9 Cb 0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2pru h ALA 9 CO -0.02 -0.14 0.36 -0.07 0.00 0.00 0.00 179.25 179.38 2pru h LEU 10 N 0.25 0.59 0.12 0.00 4.07 -1.42 0.19 115.31 119.12 2pru h LEU 10 Ca 0.08 -0.01 -0.16 0.00 0.08 0.00 0.00 57.88 57.87 2pru h LEU 10 Cb 0.11 -0.14 0.02 0.00 1.08 0.00 0.00 40.66 41.73 2pru h LEU 10 CO -0.01 0.41 -0.72 0.40 -1.08 0.00 0.00 178.44 177.44 2pru h ILE 11 N 0.69 1.55 -0.52 1.22 2.04 -1.46 -3.18 117.51 117.85 2pru h ILE 11 Ca 0.21 -2.51 -0.09 0.00 1.00 0.00 0.00 64.86 63.48 2pru h ILE 11 Cb 0.01 3.22 -0.02 0.00 -0.74 0.00 0.00 36.82 39.28 2pru h ILE 11 CO -0.05 0.70 -0.02 -0.78 0.00 0.00 0.00 178.15 178.00 2pru h ASP 12 N -0.44 0.87 0.01 1.72 3.58 0.46 0.22 116.42 122.84 2pru h ASP 12 Ca -0.13 -0.23 -0.12 0.00 0.42 0.00 0.00 57.03 56.97 2pru h ASP 12 Cb 1.57 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.37 2pru h ASP 12 CO 0.14 0.94 -0.37 0.58 -2.88 0.00 0.00 179.24 177.65 2pru h VAL 13 N 0.82 1.29 -0.44 2.25 2.07 -0.78 0.00 116.25 121.46 2pru h VAL 13 Ca 0.15 -1.49 -0.14 0.00 0.82 0.00 0.00 66.70 66.04 2pru h VAL 13 Cb 0.52 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2pru h VAL 13 CO 0.03 0.47 -0.28 0.15 0.02 0.00 0.00 177.57 177.96 2pru h PHE 14 N 0.41 1.13 -0.99 1.57 3.57 -1.38 -2.56 116.94 118.68 2pru h PHE 14 Ca 0.04 -0.30 0.08 0.00 3.53 0.00 0.00 57.97 61.33 2pru h PHE 14 Cb 0.83 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 39.24 2pru h PHE 14 CO 0.03 1.12 0.63 1.25 -2.23 0.00 0.00 178.31 179.11 2pru h HIS 15 N 0.82 1.16 0.00 0.41 2.76 -0.19 -2.09 115.15 118.02 2pru h HIS 15 Ca 0.09 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 2pru h HIS 15 Cb 0.86 -0.38 -0.00 0.00 1.55 0.00 0.00 27.41 29.44 2pru h HIS 15 CO 0.06 0.55 -0.06 1.96 -1.30 0.00 0.00 177.93 179.14 2pru h GLN 16 N 1.10 0.00 -6.71 5.26 1.08 -0.59 -3.44 115.11 111.80 2pru h GLN 16 Ca 0.45 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 57.15 2pru h GLN 16 Cb 0.28 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 2pru h GLN 16 CO -0.21 0.06 0.07 0.71 -0.95 0.00 0.00 178.83 178.52 2pru s TYR 17 N -3.69 3.39 0.00 2.96 1.51 -0.79 -4.95 117.35 115.79 2pru s TYR 17 Ca 0.01 1.15 0.00 0.00 -1.01 0.00 0.00 57.07 57.21 2pru s TYR 17 Cb 0.09 -2.49 0.00 0.00 -0.11 0.00 0.00 41.96 39.46 2pru s TYR 17 CO 0.57 0.08 1.18 -1.13 -1.11 0.00 0.00 175.55 175.14 2pru n SER 18 N -0.50 3.22 0.00 2.29 3.41 -1.26 -2.78 113.62 117.99 2pru n SER 18 Ca 0.03 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 2pru n SER 18 Cb 0.53 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 2pru n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pru n GLY 19 N 1.43 0.84 0.30 5.00 0.00 -1.26 -4.52 105.19 106.98 2pru n GLY 19 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 0.00 0.00 1.61 -0.00 -1.74 -2.22 114.38 112.03 2pru h ARG 20 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2pru h ARG 20 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.00 2pru h ARG 20 CO 0.00 0.00 -0.33 -1.91 -0.00 0.00 0.00 179.97 177.73 2pru n GLU 21 N -2.85 0.00 0.27 0.08 4.07 -1.26 -4.15 120.64 116.80 2pru n GLU 21 Ca -0.02 0.00 0.15 0.00 -0.06 0.00 0.00 57.16 57.23 2pru n GLU 21 Cb 0.16 -0.18 0.67 0.00 -0.06 0.00 0.00 31.44 32.03 2pru n GLU 21 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 2pru h GLY 22 N 0.00 0.00 0.00 8.31 0.00 -1.81 -3.17 103.07 106.40 2pru h GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2pru h GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 176.54 177.88 2pru n ASP 23 N -3.23 0.00 -0.43 0.19 -0.08 -0.99 -4.79 116.55 107.21 2pru n ASP 23 Ca -0.00 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.36 2pru n ASP 23 Cb 0.31 0.00 0.18 0.00 2.34 0.00 0.00 41.12 43.96 2pru n ASP 23 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2pru n LYS 24 N 0.00 1.73 -1.09 -0.67 3.00 -1.26 -4.81 118.16 115.06 2pru n LYS 24 Ca 0.00 -2.81 -0.03 0.00 -0.00 0.00 0.00 58.31 55.47 2pru n LYS 24 Cb 0.00 -1.62 -0.01 0.00 0.00 0.00 0.00 35.03 33.39 2pru n LYS 24 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 2pru n HIS 25 N -1.16 0.00 -3.69 5.64 -0.00 -1.20 -4.88 115.22 109.93 2pru n HIS 25 Ca 0.19 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.87 2pru n HIS 25 Cb 0.74 -1.17 0.02 0.00 -0.00 0.00 0.00 29.99 29.58 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 -1.80 0.70 -4.31 1.57 5.02 -0.87 -4.40 118.16 114.06 2pru n LYS 26 Ca -0.03 -1.44 -0.31 0.00 -2.02 0.00 0.00 58.31 54.51 2pru n LYS 26 Cb 0.24 1.86 -0.10 0.00 -0.02 0.00 0.00 35.03 37.01 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 3.20 0.91 -0.35 1.02 -1.26 -4.26 118.68 117.94 2pru s LEU 27 Ca 0.15 -0.23 -0.11 0.00 0.02 0.00 0.00 54.13 53.96 2pru s LEU 27 Cb -0.03 -1.92 0.14 0.00 0.02 0.00 0.00 46.19 44.40 2pru s LEU 27 CO 0.07 0.22 1.10 -0.54 0.02 0.00 0.00 176.35 177.22 2pru s LYS 28 N -1.88 1.11 0.37 1.70 -0.14 -1.26 0.57 119.74 120.20 2pru s LYS 28 Ca 0.21 1.12 0.13 0.00 -1.36 0.00 0.00 55.97 56.06 2pru s LYS 28 Cb -0.11 -1.77 0.70 0.00 -1.68 0.00 0.00 37.83 34.97 2pru s LYS 28 CO 0.12 -2.43 1.81 0.87 -0.76 0.00 0.00 175.35 174.96 2pru h LYS 29 N -1.70 0.00 0.00 1.68 1.57 -1.57 -0.37 116.57 116.17 2pru h LYS 29 Ca -0.48 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.28 2pru h LYS 29 Cb 1.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 2pru h LYS 29 CO 0.49 0.39 -0.08 0.77 -0.57 0.00 0.00 179.45 180.45 2pru h SER 30 N 0.00 0.00 0.81 0.86 0.02 -1.74 -1.14 113.55 112.36 2pru h SER 30 Ca -0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 2pru h SER 30 Cb 0.70 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.20 2pru h SER 30 CO 0.05 0.08 -1.28 -0.33 -1.14 0.00 0.00 176.83 174.21 2pru h GLU 31 N 0.00 0.00 0.00 3.45 4.39 -1.46 -3.23 114.58 117.73 2pru h GLU 31 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2pru h GLU 31 Cb 0.33 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2pru h GLU 31 CO 0.01 0.60 -0.01 1.25 -1.16 0.00 0.00 179.01 179.69 2pru h LEU 32 N 0.00 0.00 -0.33 1.33 7.12 -0.22 -2.19 115.31 121.02 2pru h LEU 32 Ca -0.14 0.00 0.07 0.00 0.13 0.00 0.00 57.88 57.94 2pru h LEU 32 Cb 1.77 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 41.83 2pru h LEU 32 CO 0.08 0.01 -0.14 0.50 -0.13 0.00 0.00 178.44 178.77 2pru h LYS 33 N 0.00 -0.08 -0.71 1.25 3.64 -1.48 0.16 116.57 119.36 2pru h LYS 33 Ca -0.00 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2pru h LYS 33 Cb 0.05 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 2pru h LYS 33 CO 0.00 -0.05 0.24 0.93 -2.27 0.00 0.00 179.45 178.30 2pru h GLU 34 N -0.08 1.07 0.10 1.90 5.08 -1.60 -1.74 114.58 119.31 2pru h GLU 34 Ca 0.17 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2pru h GLU 34 Cb 0.33 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2pru h GLU 34 CO -0.38 0.90 -0.05 1.25 -1.00 0.00 0.00 179.01 179.73 2pru h LEU 35 N 1.04 -0.11 -1.42 1.33 5.85 -1.34 -2.89 115.31 117.75 2pru h LEU 35 Ca 0.23 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 2pru h LEU 35 Cb 0.27 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2pru h LEU 35 CO -0.01 0.09 -0.23 0.16 -0.34 0.00 0.00 178.44 178.11 2pru h ILE 36 N -0.32 0.72 -0.88 4.05 3.07 -0.59 0.32 117.51 123.89 2pru h ILE 36 Ca -0.01 -0.98 0.11 0.00 1.55 0.00 0.00 64.86 65.52 2pru h ILE 36 Cb 0.27 1.61 -0.06 0.00 -0.27 0.00 0.00 36.82 38.37 2pru h ILE 36 CO 0.02 0.23 0.57 0.78 -1.05 0.00 0.00 178.15 178.70 2pru h ASN 37 N 0.00 0.75 0.00 2.16 2.35 -1.10 -3.36 115.58 116.38 2pru h ASN 37 Ca -0.00 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2pru h ASN 37 Cb 0.60 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2pru h ASN 37 CO 0.03 0.43 -0.32 -3.20 -1.65 0.00 0.00 177.43 172.72 2pru n ASN 38 N -4.54 1.24 -3.95 5.81 2.85 -0.97 -4.54 115.26 111.17 2pru n ASN 38 Ca 0.15 0.18 -0.43 0.00 -0.11 0.00 0.00 54.58 54.38 2pru n ASN 38 Cb 0.34 -0.45 0.00 0.00 1.24 0.00 0.00 39.78 40.92 2pru n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2pru n GLU 39 N -3.68 3.41 0.05 1.20 -0.58 0.11 -1.93 120.64 119.22 2pru n GLU 39 Ca -0.04 -3.37 0.00 0.00 -0.42 0.00 0.00 57.16 53.33 2pru n GLU 39 Cb 0.17 -3.04 0.00 0.00 -0.57 0.00 0.00 31.44 27.99 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 4.79 0.20 -2.69 -4.62 0.00 -1.26 -4.36 117.00 109.06 2pru n LEU 40 Ca 0.42 0.18 -0.06 0.00 0.00 0.00 0.00 56.01 56.55 2pru n LEU 40 Cb 0.38 0.04 0.08 0.00 0.00 0.00 0.00 43.42 43.93 2pru n LEU 40 CO 0.81 -0.64 0.53 -1.20 0.00 0.00 0.00 177.39 176.88 2pru n SER 41 N -3.01 -1.76 0.00 1.96 7.64 -1.24 -5.04 113.62 112.17 2pru n SER 41 Ca 0.00 -2.59 0.00 0.00 1.01 0.00 0.00 58.87 57.29 2pru n SER 41 Cb 0.00 1.35 0.00 0.00 -1.01 0.00 0.00 64.21 64.55 2pru n SER 41 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2pru n HIS 42 N -0.04 0.00 0.00 1.43 8.25 -0.81 -3.92 115.22 120.13 2pru n HIS 42 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2pru n HIS 42 Cb 0.74 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.85 2pru n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2pru n PHE 43 N 0.00 0.00 -2.64 4.41 3.72 -1.26 -4.38 117.46 117.31 2pru n PHE 43 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 2pru n PHE 43 Cb 0.00 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.50 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 -0.95 -6.33 0.00 4.37 4.77 -1.25 -4.94 117.00 112.68 2pru n LEU 44 Ca 0.00 2.18 0.00 0.00 -0.03 0.00 0.00 56.01 58.16 2pru n LEU 44 Cb 0.00 -3.24 0.00 0.00 -2.33 0.00 0.00 43.42 37.85 2pru n LEU 44 CO 0.00 -3.95 0.00 -0.62 -1.33 0.00 0.00 177.39 171.50 2pru n GLU 45 N 1.64 1.51 -0.02 3.23 1.02 -1.26 -4.75 120.64 122.01 2pru n GLU 45 Ca -0.37 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.77 2pru n GLU 45 Cb 0.57 -0.13 0.00 0.00 -0.02 0.00 0.00 31.44 31.86 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 -0.22 1.58 0.00 3.49 1.02 -1.26 -4.53 120.64 120.72 2pru n GLU 46 Ca 0.00 -1.09 0.00 0.00 -0.02 0.00 0.00 57.16 56.05 2pru n GLU 46 Cb 0.01 -0.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 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 -0.30 0.00 0.01 -3.67 -0.00 -1.26 -4.99 119.36 109.15 2pru n ILE 47 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 62.75 62.87 2pru n ILE 47 Cb 0.38 -1.03 0.00 0.00 -0.00 0.00 0.00 39.64 38.99 2pru n ILE 47 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2pru n LYS 48 N -2.16 0.00 0.10 0.38 4.76 -1.26 -4.81 118.16 115.17 2pru n LYS 48 Ca 0.00 0.00 0.16 0.00 -2.87 0.00 0.00 58.31 55.60 2pru n LYS 48 Cb 0.00 -0.41 0.69 0.00 -1.84 0.00 0.00 35.03 33.48 2pru n LYS 48 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 2pru h GLU 49 N 0.00 0.00 -0.09 1.97 9.09 -1.81 -2.72 114.58 121.02 2pru h GLU 49 Ca 0.00 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.44 2pru h GLU 49 Cb 0.64 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.74 2pru h GLU 49 CO 0.00 0.00 0.23 -0.56 0.05 0.00 0.00 179.01 178.73 2pru h GLN 50 N 0.00 0.00 0.07 1.06 -0.00 -1.85 0.56 115.11 114.94 2pru h GLN 50 Ca 0.16 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.69 2pru h GLN 50 Cb 0.65 0.00 0.01 0.00 -0.00 0.00 0.00 27.48 28.14 2pru h GLN 50 CO -0.00 0.00 -0.53 1.49 -0.00 0.00 0.00 178.83 179.78 2pru h GLU 51 N 0.00 0.14 0.00 0.06 4.22 -1.86 -3.40 114.58 113.74 2pru h GLU 51 Ca 0.04 -0.24 -0.18 0.00 0.08 0.00 0.00 59.36 59.07 2pru h GLU 51 Cb 0.49 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2pru h GLU 51 CO -0.00 1.11 -1.12 0.28 -2.18 0.00 0.00 179.01 177.10 2pru h VAL 52 N -0.69 0.87 -0.72 0.32 2.07 -0.94 -3.35 116.25 113.80 2pru h VAL 52 Ca -0.11 -2.41 0.08 0.00 0.82 0.00 0.00 66.70 65.08 2pru h VAL 52 Cb 1.34 2.34 -0.07 0.00 -1.52 0.00 0.00 31.29 33.39 2pru h VAL 52 CO 0.05 0.49 0.38 0.58 0.02 0.00 0.00 177.57 179.10 2pru h VAL 53 N 0.00 0.90 -0.40 2.57 2.07 -0.22 0.39 116.25 121.55 2pru h VAL 53 Ca -0.11 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 2pru h VAL 53 Cb 1.62 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 2pru h VAL 53 CO 0.07 0.12 0.14 -0.78 0.02 0.00 0.00 177.57 177.14 2pru h ASP 54 N 0.66 0.57 -0.29 0.57 3.58 -1.80 0.19 116.42 119.90 2pru h ASP 54 Ca 0.34 -0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 2pru h ASP 54 Cb 0.31 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 2pru h ASP 54 CO -0.24 0.61 0.09 0.11 -2.88 0.00 0.00 179.24 176.94 2pru h LYS 55 N 0.50 0.53 -0.40 0.28 1.57 -1.41 0.17 116.57 117.81 2pru h LYS 55 Ca 0.13 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 2pru h LYS 55 Cb 0.24 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2pru h LYS 55 CO -0.01 0.48 -0.19 0.28 -0.57 0.00 0.00 179.45 179.45 2pru h VAL 56 N 0.52 1.28 0.00 0.50 2.07 0.20 -0.44 116.25 120.38 2pru h VAL 56 Ca 0.12 -1.32 -0.08 0.00 0.82 0.00 0.00 66.70 66.24 2pru h VAL 56 Cb 0.19 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2pru h VAL 56 CO -0.00 0.44 -0.36 0.24 0.02 0.00 0.00 177.57 177.91 2pru h MET 57 N 0.64 0.00 0.55 1.57 2.86 0.49 0.32 114.93 121.35 2pru h MET 57 Ca 0.09 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 2pru h MET 57 Cb 0.74 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.41 2pru h MET 57 CO 0.06 0.36 -0.26 0.93 1.06 0.00 0.00 176.91 179.05 2pru h GLU 58 N 0.00 -0.71 -0.86 1.72 4.39 -0.84 -2.94 114.58 115.34 2pru h GLU 58 Ca -0.00 0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.76 2pru h GLU 58 Cb 0.65 0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 29.41 2pru h GLU 58 CO 0.05 -0.41 0.56 1.79 -1.16 0.00 0.00 179.01 179.84 2pru h THR 59 N -1.08 1.19 -0.38 1.13 1.35 -0.80 0.12 112.91 114.44 2pru h THR 59 Ca -0.08 -0.39 0.08 0.00 -0.55 0.00 0.00 66.41 65.48 2pru h THR 59 Cb 0.62 -0.04 -0.08 0.00 -1.73 0.00 0.00 68.15 66.92 2pru h THR 59 CO 0.12 0.21 -0.20 -0.07 -0.25 0.00 0.00 175.52 175.33 2pru h LEU 60 N 1.13 -0.69 -0.10 3.87 4.07 -0.47 0.20 115.31 123.33 2pru h LEU 60 Ca 0.33 0.15 -0.15 0.00 0.08 0.00 0.00 57.88 58.29 2pru h LEU 60 Cb -0.08 0.36 0.01 0.00 1.08 0.00 0.00 40.66 42.03 2pru h LEU 60 CO -0.09 -0.23 -0.50 -0.78 -1.08 0.00 0.00 178.44 175.75 2pru h ASP 61 N -0.14 0.62 -0.02 -0.43 3.58 -1.22 -1.87 116.42 116.94 2pru h ASP 61 Ca 0.19 -0.64 -0.02 0.00 0.42 0.00 0.00 57.03 56.98 2pru h ASP 61 Cb 0.43 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.30 2pru h ASP 61 CO -0.46 1.16 -0.05 0.78 -2.88 0.00 0.00 179.24 177.79 2pru h ASN 62 N 0.12 0.08 0.06 2.28 -0.26 -0.62 -3.39 115.58 113.83 2pru h ASN 62 Ca -0.03 -0.61 -0.33 0.00 -0.56 0.00 0.00 56.30 54.77 2pru h ASN 62 Cb 1.15 -0.02 -0.03 0.00 -1.06 0.00 0.00 38.32 38.35 2pru h ASN 62 CO 0.10 0.67 -1.82 -0.67 -1.06 0.00 0.00 177.43 174.65 2pru n ASP 63 N -4.73 2.00 -2.33 5.81 -0.08 0.69 -4.60 116.55 113.31 2pru n ASP 63 Ca -0.09 0.27 -0.22 0.00 -1.51 0.00 0.00 54.79 53.24 2pru n ASP 63 Cb 0.33 -0.86 -0.09 0.00 2.34 0.00 0.00 41.12 42.85 2pru n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2pru n GLY 64 N 1.74 3.92 0.15 0.27 0.00 -0.70 -4.20 105.19 106.37 2pru n GLY 64 Ca -0.35 -1.66 0.05 0.00 0.00 0.00 0.00 46.02 44.05 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 2.97 0.00 0.01 1.61 3.58 -1.80 -2.36 116.42 120.43 2pru h ASP 65 Ca 0.33 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.78 2pru h ASP 65 Cb 0.97 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.02 2pru h ASP 65 CO 0.67 0.38 -0.00 1.23 -2.88 0.00 0.00 179.24 178.64 2pru h GLY 66 N 3.63 -0.01 -1.92 -0.78 0.00 -1.96 -3.48 103.07 98.54 2pru h GLY 66 Ca -0.01 0.00 0.38 0.00 0.00 0.00 0.00 47.33 47.71 2pru h GLY 66 CO 0.05 -0.00 0.97 -1.83 0.00 0.00 0.00 176.54 175.72 2pru s GLU 67 N -1.82 0.18 -0.06 4.80 -1.05 -1.26 -4.79 118.70 114.70 2pru s GLU 67 Ca -0.06 -0.12 -0.01 0.00 -0.15 0.00 0.00 54.97 54.63 2pru s GLU 67 Cb -0.01 0.05 0.03 0.00 -0.44 0.00 0.00 34.13 33.76 2pru s GLU 67 CO 0.23 -0.09 0.00 0.00 0.95 0.00 0.00 175.26 176.35 2pru s ASP 69 N 1.81 4.98 0.37 0.00 -1.08 -1.26 -4.07 116.67 117.43 2pru s ASP 69 Ca 0.02 0.08 0.27 0.00 -0.52 0.00 0.00 52.55 52.40 2pru s ASP 69 Cb -0.13 -0.82 0.90 0.00 -1.46 0.00 0.00 42.92 41.42 2pru s ASP 69 CO -0.04 -1.40 1.78 2.19 0.52 0.00 0.00 175.17 178.22 2pru h PHE 70 N -0.23 0.00 -0.20 -5.34 -0.00 -1.98 0.55 116.94 109.75 2pru h PHE 70 Ca -0.42 0.00 -0.14 0.00 -0.00 0.00 0.00 57.97 57.41 2pru h PHE 70 Cb 1.30 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.24 2pru h PHE 70 CO 0.26 0.00 -0.47 1.96 -0.00 0.00 0.00 178.31 180.06 2pru h GLN 71 N 0.00 0.50 0.00 6.09 7.50 -1.98 -2.66 115.11 124.57 2pru h GLN 71 Ca 0.00 -0.28 -0.18 0.00 0.50 0.00 0.00 58.65 58.68 2pru h GLN 71 Cb 0.64 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.17 2pru h GLN 71 CO 0.00 0.87 -0.87 0.93 -1.50 0.00 0.00 178.83 178.26 2pru h GLU 72 N 0.40 0.02 -0.31 1.46 5.08 -1.59 -0.24 114.58 119.40 2pru h GLU 72 Ca 0.02 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2pru h GLU 72 Cb 0.98 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.16 2pru h GLU 72 CO 0.09 0.88 -0.19 0.35 -1.00 0.00 0.00 179.01 179.14 2pru h PHE 73 N 0.01 -0.48 0.16 4.33 3.04 -0.90 0.42 116.94 123.52 2pru h PHE 73 Ca -0.01 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 2pru h PHE 73 Cb 1.54 0.26 0.00 0.00 2.56 0.00 0.00 35.95 40.31 2pru h PHE 73 CO 0.00 -0.27 -0.08 1.98 -2.02 0.00 0.00 178.31 177.93 2pru h MET 74 N -0.15 -0.21 -0.30 1.11 4.05 -1.13 -2.85 114.93 115.45 2pru h MET 74 Ca 0.16 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.66 2pru h MET 74 Cb 0.40 0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.18 2pru h MET 74 CO -0.40 -0.11 -0.18 0.00 0.23 0.00 0.00 176.91 176.45 2pru h ALA 75 N 0.57 0.04 -0.01 0.39 0.00 -0.39 0.23 119.26 120.09 2pru h ALA 75 Ca -0.02 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2pru h ALA 75 Cb 0.20 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2pru h ALA 75 CO 0.04 -0.57 0.00 0.74 0.00 0.00 0.00 179.25 179.45 2pru h PHE 76 N -0.14 0.01 -0.14 0.00 0.04 -0.97 -1.02 116.94 114.72 2pru h PHE 76 Ca 0.16 -0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.84 2pru h PHE 76 Cb 0.38 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 2pru h PHE 76 CO -0.37 0.21 -0.31 -0.24 -0.60 0.00 0.00 178.31 176.99 2pru h VAL 77 N -0.19 1.27 0.17 -0.55 3.04 -1.25 -2.16 116.25 116.58 2pru h VAL 77 Ca 0.00 -1.29 -0.01 0.00 -1.01 0.00 0.00 66.70 64.39 2pru h VAL 77 Cb 0.20 1.52 0.00 0.00 -2.01 0.00 0.00 31.29 31.00 2pru h VAL 77 CO -0.00 0.39 -0.08 0.00 -1.01 0.00 0.00 177.57 176.87 2pru h ALA 78 N 1.44 -0.23 -0.52 3.17 0.00 -0.42 -3.05 119.26 119.65 2pru h ALA 78 Ca 0.03 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2pru h ALA 78 Cb 0.68 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2pru h ALA 78 CO 0.05 -0.43 -0.08 0.00 0.00 0.00 0.00 179.25 178.79 2pru h MET 79 N -0.64 0.98 -0.15 0.00 -0.00 -1.10 -1.01 114.93 113.00 2pru h MET 79 Ca -0.02 -0.35 -0.03 0.00 -0.00 0.00 0.00 59.70 59.30 2pru h MET 79 Cb 0.47 -0.07 -0.01 0.00 -0.00 0.00 0.00 31.60 31.99 2pru h MET 79 CO 0.04 1.02 -0.02 -0.39 -0.00 0.00 0.00 176.91 177.56 2pru h VAL 80 N 0.84 1.12 0.13 -0.10 -1.51 -1.48 0.23 116.25 115.47 2pru h VAL 80 Ca 0.14 -0.47 -0.31 0.00 -1.23 0.00 0.00 66.70 64.83 2pru h VAL 80 Cb 0.64 1.03 -0.00 0.00 -2.13 0.00 0.00 31.29 30.82 2pru h VAL 80 CO 0.04 0.15 -1.54 0.74 -1.23 0.00 0.00 177.57 175.74 2pru h THR 81 N 0.22 1.15 0.00 7.19 2.02 -1.38 -2.75 112.91 119.36 2pru h THR 81 Ca 0.05 -2.78 -0.07 0.00 0.77 0.00 0.00 66.41 64.38 2pru h THR 81 Cb 0.19 2.77 -0.01 0.00 -1.74 0.00 0.00 68.15 69.36 2pru h THR 81 CO 0.01 0.82 -1.57 0.35 0.37 0.00 0.00 175.52 175.50 2pru n THR 82 N -3.47 0.60 -1.17 3.16 -2.24 -0.41 -4.85 114.28 105.91 2pru n THR 82 Ca -0.17 -0.59 -0.31 0.00 -2.27 0.00 0.00 64.05 60.71 2pru n THR 82 Cb 1.05 -0.32 -0.12 0.00 -2.10 0.00 0.00 70.33 68.84 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 -2.31 0.26 0.00 6.98 0.00 0.76 -3.33 120.51 122.88 2pru n ALA 83 Ca -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2pru n ALA 83 Cb 0.68 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 0.00 -0.57 -0.02 0.00 8.25 -1.21 -5.12 115.22 116.55 2pru n HIS 85 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 2pru n HIS 85 Cb 0.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 2pru n HIS 85 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 2pru n GLU 86 N 0.00 0.15 -3.45 -0.41 -0.00 -1.26 -4.79 120.64 110.88 2pru n GLU 86 Ca 0.00 0.06 -0.42 0.00 -0.00 0.00 0.00 57.16 56.79 2pru n GLU 86 Cb 0.00 -0.72 -0.03 0.00 -0.00 0.00 0.00 31.44 30.69 2pru n GLU 86 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2pru s PHE 87 N -1.57 4.00 0.00 -1.84 0.40 -1.26 -4.72 117.98 113.00 2pru s PHE 87 Ca -0.08 -2.65 0.00 0.00 -0.60 0.00 0.00 56.93 53.60 2pru s PHE 87 Cb 0.01 -3.63 0.00 0.00 0.51 0.00 0.00 43.02 39.92 2pru s PHE 87 CO 0.12 -0.89 0.00 0.34 0.70 0.00 0.00 175.22 175.49 2pru n PHE 88 N 2.92 0.00 -2.08 0.36 7.35 -1.26 -4.52 117.46 120.23 2pru n PHE 88 Ca 0.20 0.00 -0.40 0.00 -0.76 0.00 0.00 57.45 56.49 2pru n PHE 88 Cb 0.40 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.23 2pru n PHE 88 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 2pru n GLU 89 N -0.28 4.57 0.00 -4.13 1.02 -1.26 -3.20 120.64 117.36 2pru n GLU 89 Ca 0.00 -3.57 0.00 0.00 -0.02 0.00 0.00 57.16 53.57 2pru n GLU 89 Cb 0.00 -2.64 0.00 0.00 -0.02 0.00 0.00 31.44 28.78 2pru n GLU 89 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2pru n HIS 90 N 1.78 0.00 -0.66 -0.32 -0.00 -1.26 -5.15 115.22 109.61 2pru n HIS 90 Ca 0.59 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.77 2pru n HIS 90 Cb 0.26 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.13 2pru n HIS 90 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89