#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 0.00 0.00 1.43 4.57 -2.06 0.21 114.58 118.73 2pru h GLU 2 Ca 0.00 -0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.97 2pru h GLU 2 Cb 0.00 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 2pru h GLU 2 CO 0.00 0.19 -1.32 1.25 -1.18 0.00 0.00 179.01 177.95 2pru h LEU 3 N -0.19 0.00 -0.00 1.64 7.12 -2.06 -3.19 115.31 118.63 2pru h LEU 3 Ca 0.00 0.00 0.03 0.00 0.13 0.00 0.00 57.88 58.04 2pru h LEU 3 Cb 0.19 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.28 2pru h LEU 3 CO -0.00 0.78 -0.21 -0.08 -0.13 0.00 0.00 178.44 178.80 2pru h GLU 4 N 0.00 -0.32 0.00 1.25 4.81 -1.97 -1.09 114.58 117.26 2pru h GLU 4 Ca -0.16 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 2pru h GLU 4 Cb 1.73 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 31.18 2pru h GLU 4 CO 0.07 -0.22 -0.16 1.57 -0.73 0.00 0.00 179.01 179.55 2pru h LYS 5 N -0.33 0.00 0.13 1.92 2.10 -1.03 -2.26 116.57 117.09 2pru h LYS 5 Ca 0.06 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.70 2pru h LYS 5 Cb 0.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2pru h LYS 5 CO -0.20 0.16 -0.06 0.00 -2.00 0.00 0.00 179.45 177.36 2pru h ALA 6 N 1.84 -0.18 -0.54 0.07 0.00 -1.29 -2.29 119.26 116.87 2pru h ALA 6 Ca -0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2pru h ALA 6 Cb 0.38 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2pru h ALA 6 CO 0.02 -0.42 0.11 1.98 0.00 0.00 0.00 179.25 180.95 2pru h MET 7 N -0.54 0.88 -0.70 0.00 1.85 -0.98 -2.44 114.93 113.00 2pru h MET 7 Ca -0.02 -0.22 0.00 0.00 -0.61 0.00 0.00 59.70 58.85 2pru h MET 7 Cb 0.43 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 32.31 2pru h MET 7 CO 0.03 0.84 0.44 0.28 -0.40 0.00 0.00 176.91 178.10 2pru h VAL 8 N 0.78 1.19 -0.24 -5.77 2.07 -1.49 -2.80 116.25 110.00 2pru h VAL 8 Ca 0.17 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2pru h VAL 8 Cb 0.37 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2pru h VAL 8 CO 0.01 0.20 0.12 0.00 0.02 0.00 0.00 177.57 177.92 2pru h ALA 9 N 1.23 0.31 -0.73 1.67 0.00 -1.10 0.20 119.26 120.84 2pru h ALA 9 Ca 0.25 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.20 2pru h ALA 9 Cb -0.06 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.56 2pru h ALA 9 CO -0.05 -0.15 0.35 -0.07 0.00 0.00 0.00 179.25 179.33 2pru h LEU 10 N 0.27 0.42 0.08 0.00 3.38 -1.20 0.55 115.31 118.81 2pru h LEU 10 Ca 0.08 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 2pru h LEU 10 Cb 0.09 0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.86 2pru h LEU 10 CO -0.01 0.22 -0.58 0.40 0.09 0.00 0.00 178.44 178.56 2pru h ILE 11 N 0.57 1.55 -0.06 1.22 2.04 -1.26 -3.19 117.51 118.39 2pru h ILE 11 Ca 0.37 -2.37 -0.13 0.00 1.00 0.00 0.00 64.86 63.74 2pru h ILE 11 Cb 0.45 3.09 -0.01 0.00 -0.74 0.00 0.00 36.82 39.61 2pru h ILE 11 CO -0.31 0.66 -0.54 -0.78 0.00 0.00 0.00 178.15 177.18 2pru h ASP 12 N -0.45 0.18 0.07 1.72 3.58 -0.35 -1.06 116.42 120.11 2pru h ASP 12 Ca -0.10 -0.09 -0.12 0.00 0.42 0.00 0.00 57.03 57.14 2pru h ASP 12 Cb 1.42 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.40 2pru h ASP 12 CO 0.11 0.68 -0.40 0.58 -2.88 0.00 0.00 179.24 177.34 2pru h VAL 13 N 0.13 1.30 -0.57 2.25 2.07 -1.03 -2.19 116.25 118.21 2pru h VAL 13 Ca 0.00 -1.53 -0.04 0.00 0.82 0.00 0.00 66.70 65.95 2pru h VAL 13 Cb 0.99 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 2pru h VAL 13 CO 0.08 0.47 0.20 0.15 0.02 0.00 0.00 177.57 178.49 2pru h PHE 14 N 0.35 0.90 -0.95 1.57 3.57 -1.39 -2.48 116.94 118.51 2pru h PHE 14 Ca 0.03 -0.08 0.11 0.00 3.53 0.00 0.00 57.97 61.57 2pru h PHE 14 Cb 0.85 -0.26 -0.07 0.00 2.79 0.00 0.00 35.95 39.25 2pru h PHE 14 CO 0.03 0.74 0.60 1.25 -2.23 0.00 0.00 178.31 178.70 2pru h HIS 15 N 0.79 1.02 -0.68 0.41 2.76 -0.82 -2.64 115.15 115.99 2pru h HIS 15 Ca 0.19 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.31 2pru h HIS 15 Cb 0.25 -0.33 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 2pru h HIS 15 CO 0.01 0.43 0.14 1.96 -1.30 0.00 0.00 177.93 179.17 2pru h GLN 16 N 0.91 1.10 -7.11 5.26 1.08 -0.93 -3.45 115.11 111.98 2pru h GLN 16 Ca 0.46 -0.28 -0.52 0.00 -1.45 0.00 0.00 58.65 56.86 2pru h GLN 16 Cb 0.49 -0.14 0.11 0.00 -0.05 0.00 0.00 27.48 27.89 2pru h GLN 16 CO -0.22 0.99 0.45 0.71 -0.95 0.00 0.00 178.83 179.81 2pru s TYR 17 N -5.25 2.44 -0.72 2.96 1.51 -0.99 -4.89 117.35 112.40 2pru s TYR 17 Ca -0.12 1.53 0.00 0.00 -1.01 0.00 0.00 57.07 57.47 2pru s TYR 17 Cb 0.15 -3.42 0.00 0.00 -0.11 0.00 0.00 41.96 38.58 2pru s TYR 17 CO 0.85 -2.07 0.53 0.43 -1.11 0.00 0.00 175.55 174.18 2pru n SER 18 N -1.68 1.29 0.00 2.29 7.64 -1.26 -2.56 113.62 119.34 2pru n SER 18 Ca 0.13 -1.66 0.00 0.00 1.01 0.00 0.00 58.87 58.35 2pru n SER 18 Cb 0.50 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2pru n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pru n GLY 19 N 0.22 0.26 0.33 0.23 0.00 -1.26 -4.58 105.19 100.39 2pru n GLY 19 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.72 114.38 111.53 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 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.33 2pru h ARG 20 CO 0.00 0.00 -0.36 -1.91 -0.00 0.00 0.00 179.97 177.70 2pru n GLU 21 N -3.28 0.00 0.21 0.08 4.07 -1.26 -4.22 120.64 116.24 2pru n GLU 21 Ca -0.03 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.12 2pru n GLU 21 Cb 0.12 -0.40 0.47 0.00 -0.06 0.00 0.00 31.44 31.57 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 0.01 0.00 8.31 0.00 -1.81 -3.15 103.07 106.43 2pru h GLY 22 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2pru h GLY 22 CO 0.00 0.01 0.00 1.34 0.00 0.00 0.00 176.54 177.89 2pru n ASP 23 N -4.28 0.00 -0.28 0.19 2.03 -1.04 -4.78 116.55 108.39 2pru n ASP 23 Ca -0.02 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.35 2pru n ASP 23 Cb 0.27 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.79 2pru n ASP 23 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2pru n LYS 24 N 0.00 2.32 -1.04 -0.67 3.00 -1.26 -4.82 118.16 115.69 2pru n LYS 24 Ca 0.00 -2.24 -0.01 0.00 -0.00 0.00 0.00 58.31 56.06 2pru n LYS 24 Cb 0.00 -1.38 -0.01 0.00 0.00 0.00 0.00 35.03 33.64 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 -0.72 0.00 -3.99 5.64 -0.00 -1.19 -4.94 115.22 110.03 2pru n HIS 25 Ca 0.12 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.73 2pru n HIS 25 Cb 0.54 -0.81 -0.04 0.00 -0.00 0.00 0.00 29.99 29.68 2pru n HIS 25 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2pru s LYS 26 N -1.05 1.77 0.07 1.57 1.02 -1.12 -4.48 119.74 117.51 2pru s LYS 26 Ca 0.00 -1.42 0.08 0.00 0.02 0.00 0.00 55.97 54.65 2pru s LYS 26 Cb 0.00 0.49 -0.03 0.00 -0.52 0.00 0.00 37.83 37.77 2pru s LYS 26 CO 0.00 -0.76 -0.20 -0.51 -0.92 0.00 0.00 175.35 172.97 2pru s LEU 27 N -3.09 2.57 0.77 3.17 1.02 -1.26 -4.31 118.68 117.55 2pru s LEU 27 Ca 0.23 -0.51 -0.15 0.00 0.02 0.00 0.00 54.13 53.72 2pru s LEU 27 Cb -0.01 -1.48 0.06 0.00 0.02 0.00 0.00 46.19 44.77 2pru s LEU 27 CO 0.13 0.22 1.20 0.29 0.02 0.00 0.00 176.35 178.21 2pru n LYS 28 N 1.27 0.41 0.30 1.70 4.76 -1.26 0.05 118.16 125.39 2pru n LYS 28 Ca -0.16 0.21 0.19 0.00 -2.87 0.00 0.00 58.31 55.68 2pru n LYS 28 Cb 0.52 -2.44 0.92 0.00 -1.84 0.00 0.00 35.03 32.19 2pru n LYS 28 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2pru h LYS 29 N -0.54 0.00 0.00 1.97 1.57 -1.76 -1.21 116.57 116.60 2pru h LYS 29 Ca -0.47 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 2pru h LYS 29 Cb 1.31 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.62 2pru h LYS 29 CO 0.47 0.02 -0.07 0.77 -0.57 0.00 0.00 179.45 180.07 2pru h SER 30 N 0.00 0.00 0.79 0.86 0.02 -1.79 -1.24 113.55 112.18 2pru h SER 30 Ca -0.00 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.71 2pru h SER 30 Cb 0.28 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 2pru h SER 30 CO 0.00 0.07 -1.30 -0.33 -1.14 0.00 0.00 176.83 174.13 2pru h GLU 31 N 0.00 0.00 -0.02 3.45 4.39 -1.58 -3.22 114.58 117.61 2pru h GLU 31 Ca -0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2pru h GLU 31 Cb 0.13 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2pru h GLU 31 CO 0.01 0.78 -0.08 1.25 -1.16 0.00 0.00 179.01 179.80 2pru h LEU 32 N 0.00 0.02 -0.13 1.33 7.12 -1.19 -2.02 115.31 120.43 2pru h LEU 32 Ca -0.13 -0.00 0.05 0.00 0.13 0.00 0.00 57.88 57.93 2pru h LEU 32 Cb 1.87 -0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 41.93 2pru h LEU 32 CO 0.11 0.11 -0.31 0.50 -0.13 0.00 0.00 178.44 178.72 2pru h LYS 33 N 0.03 -0.37 -0.42 1.25 3.64 -1.41 0.17 116.57 119.46 2pru h LYS 33 Ca 0.01 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 2pru h LYS 33 Cb 0.17 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2pru h LYS 33 CO 0.01 -0.25 -0.04 0.93 -2.27 0.00 0.00 179.45 177.83 2pru h GLU 34 N -0.38 0.71 0.30 1.90 5.08 -1.53 -1.26 114.58 119.40 2pru h GLU 34 Ca 0.10 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2pru h GLU 34 Cb 0.53 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2pru h GLU 34 CO -0.35 0.75 -0.14 1.25 -1.00 0.00 0.00 179.01 179.52 2pru h LEU 35 N 0.66 -0.34 -1.46 1.33 5.85 -0.96 -2.91 115.31 117.48 2pru h LEU 35 Ca 0.13 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 2pru h LEU 35 Cb 0.47 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2pru h LEU 35 CO 0.02 -0.20 -0.23 0.16 -0.34 0.00 0.00 178.44 177.85 2pru h ILE 36 N -0.46 0.76 -0.71 4.05 3.07 -0.47 0.12 117.51 123.87 2pru h ILE 36 Ca -0.04 -0.97 0.10 0.00 1.55 0.00 0.00 64.86 65.51 2pru h ILE 36 Cb 0.35 1.59 -0.05 0.00 -0.27 0.00 0.00 36.82 38.45 2pru h ILE 36 CO 0.07 0.23 0.47 0.78 -1.05 0.00 0.00 178.15 178.65 2pru h ASN 37 N 0.00 0.50 0.00 2.16 -0.26 -1.03 -3.35 115.58 113.60 2pru h ASN 37 Ca -0.00 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.75 2pru h ASN 37 Cb 0.58 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.75 2pru h ASN 37 CO 0.03 0.30 -0.09 -3.20 -1.06 0.00 0.00 177.43 173.40 2pru n ASN 38 N -4.49 0.36 -4.10 5.81 5.15 -0.91 -4.55 115.26 112.52 2pru n ASN 38 Ca 0.12 0.05 -0.43 0.00 -0.60 0.00 0.00 54.58 53.72 2pru n ASN 38 Cb 0.37 -0.26 0.00 0.00 -0.53 0.00 0.00 39.78 39.36 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 -2.84 3.43 0.08 1.20 -0.58 0.36 -1.42 120.64 120.87 2pru n GLU 39 Ca -0.01 -3.52 0.00 0.00 -0.42 0.00 0.00 57.16 53.21 2pru n GLU 39 Cb 0.05 -3.04 0.00 0.00 -0.57 0.00 0.00 31.44 27.87 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 5.02 0.55 -2.51 -4.62 0.00 -1.26 -4.42 117.00 109.77 2pru n LEU 40 Ca 0.41 0.26 -0.04 0.00 0.00 0.00 0.00 56.01 56.64 2pru n LEU 40 Cb 0.39 -0.03 0.05 0.00 0.00 0.00 0.00 43.42 43.83 2pru n LEU 40 CO 0.76 -0.75 0.54 -1.20 0.00 0.00 0.00 177.39 176.74 2pru n SER 41 N -3.42 -1.25 0.00 1.96 7.64 -1.23 -5.04 113.62 112.28 2pru n SER 41 Ca 0.00 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 58.00 2pru n SER 41 Cb 0.00 0.82 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 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 -0.62 0.00 0.00 1.43 8.25 -0.51 -4.15 115.22 119.63 2pru n HIS 42 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 2pru n HIS 42 Cb 0.72 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.83 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 -2.51 4.41 3.72 -1.26 -4.24 117.46 117.58 2pru n PHE 43 Ca 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2pru n PHE 43 Cb 0.00 0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 -1.03 -6.92 0.00 4.37 4.77 -1.26 -5.00 117.00 111.93 2pru n LEU 44 Ca 0.00 1.28 0.00 0.00 -0.03 0.00 0.00 56.01 57.26 2pru n LEU 44 Cb 0.00 -2.98 0.00 0.00 -2.33 0.00 0.00 43.42 38.11 2pru n LEU 44 CO 0.00 -2.79 0.22 -0.62 -1.33 0.00 0.00 177.39 172.88 2pru n GLU 45 N 0.67 0.42 0.00 3.23 1.02 -1.26 -4.54 120.64 120.19 2pru n GLU 45 Ca -0.04 -0.54 0.00 0.00 -0.02 0.00 0.00 57.16 56.56 2pru n GLU 45 Cb 0.05 -0.66 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 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 -0.09 -0.14 0.00 3.49 1.02 -1.26 -4.67 120.64 118.99 2pru n GLU 46 Ca 0.00 -0.32 0.00 0.00 -0.02 0.00 0.00 57.16 56.82 2pru n GLU 46 Cb 0.31 -0.71 0.00 0.00 -0.02 0.00 0.00 31.44 31.03 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 -0.03 0.00 0.00 -3.67 -0.00 -1.26 -5.01 119.36 109.39 2pru n ILE 47 Ca 0.00 0.35 0.00 0.00 -0.00 0.00 0.00 62.75 63.10 2pru n ILE 47 Cb 0.19 -1.35 0.00 0.00 -0.00 0.00 0.00 39.64 38.48 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 -2.22 0.20 0.12 0.38 0.00 -1.26 -4.91 118.16 110.47 2pru n LYS 48 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 58.31 58.49 2pru n LYS 48 Cb 0.00 -0.17 0.75 0.00 0.00 0.00 0.00 35.03 35.62 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 0.00 0.00 -0.67 1.64 9.09 -1.90 -2.14 114.58 120.61 2pru h GLU 49 Ca 0.00 0.00 0.19 0.00 0.05 0.00 0.00 59.36 59.60 2pru h GLU 49 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.07 2pru h GLU 49 CO 0.00 0.00 0.56 -0.56 0.05 0.00 0.00 179.01 179.06 2pru h GLN 50 N 0.00 0.00 0.01 1.06 -0.00 -1.83 0.54 115.11 114.88 2pru h GLN 50 Ca 0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.81 2pru h GLN 50 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.22 2pru h GLN 50 CO -0.00 0.00 -0.00 1.49 -0.00 0.00 0.00 178.83 180.31 2pru h GLU 51 N 0.00 -0.01 -0.57 0.06 4.81 -1.78 -3.33 114.58 113.76 2pru h GLU 51 Ca 0.32 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.49 2pru h GLU 51 Cb 1.44 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.79 2pru h GLU 51 CO -0.00 0.61 0.13 0.28 -0.73 0.00 0.00 179.01 179.29 2pru h VAL 52 N -0.99 1.23 -0.94 0.32 2.07 -1.15 -1.81 116.25 114.98 2pru h VAL 52 Ca -0.00 -0.85 0.08 0.00 0.82 0.00 0.00 66.70 66.74 2pru h VAL 52 Cb 0.62 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 2pru h VAL 52 CO 0.00 0.32 0.59 0.58 0.02 0.00 0.00 177.57 179.08 2pru h VAL 53 N 0.84 1.02 -0.17 2.57 2.07 -0.19 0.65 116.25 123.05 2pru h VAL 53 Ca 0.18 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 2pru h VAL 53 Cb 0.32 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2pru h VAL 53 CO 0.00 0.19 -0.09 -0.78 0.02 0.00 0.00 177.57 176.91 2pru h ASP 54 N 1.04 0.37 -0.48 0.57 1.82 -1.45 0.18 116.42 118.47 2pru h ASP 54 Ca 0.42 -0.42 -0.04 0.00 -0.39 0.00 0.00 57.03 56.61 2pru h ASP 54 Cb 0.25 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.14 2pru h ASP 54 CO -0.20 0.71 0.17 0.11 -1.61 0.00 0.00 179.24 178.43 2pru h LYS 55 N 0.04 0.78 -0.22 0.28 1.57 -0.90 -1.19 116.57 116.92 2pru h LYS 55 Ca 0.04 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2pru h LYS 55 Cb 0.58 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2pru h LYS 55 CO 0.03 0.67 0.08 0.28 -0.57 0.00 0.00 179.45 179.94 2pru h VAL 56 N 0.77 1.18 -0.42 0.50 2.07 0.52 -1.82 116.25 119.03 2pru h VAL 56 Ca 0.18 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.19 2pru h VAL 56 Cb 0.21 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2pru h VAL 56 CO -0.01 0.18 0.28 0.24 0.02 0.00 0.00 177.57 178.28 2pru h MET 57 N 0.20 0.42 0.62 1.57 2.86 0.49 0.57 114.93 121.65 2pru h MET 57 Ca 0.07 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2pru h MET 57 Cb 0.20 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.77 2pru h MET 57 CO -0.00 0.28 -0.30 0.93 1.06 0.00 0.00 176.91 178.87 2pru h GLU 58 N 0.43 -0.80 -0.75 1.72 4.39 -1.17 -3.02 114.58 115.38 2pru h GLU 58 Ca 0.17 0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.91 2pru h GLU 58 Cb 0.15 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.95 2pru h GLU 58 CO -0.04 -0.53 0.41 1.79 -1.16 0.00 0.00 179.01 179.47 2pru h THR 59 N -1.22 1.23 -0.26 1.13 1.35 -0.76 -0.91 112.91 113.46 2pru h THR 59 Ca -0.09 -0.57 0.06 0.00 -0.55 0.00 0.00 66.41 65.26 2pru h THR 59 Cb 0.64 0.24 -0.06 0.00 -1.73 0.00 0.00 68.15 67.24 2pru h THR 59 CO 0.14 0.25 -0.13 0.25 -0.25 0.00 0.00 175.52 175.79 2pru h LEU 60 N 1.04 -0.43 -0.33 3.87 5.85 -0.01 0.35 115.31 125.65 2pru h LEU 60 Ca 0.26 0.10 -0.16 0.00 0.84 0.00 0.00 57.88 58.93 2pru h LEU 60 Cb 0.04 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 2pru h LEU 60 CO -0.04 -0.16 -0.42 -0.78 -0.34 0.00 0.00 178.44 176.70 2pru h ASP 61 N -0.09 0.94 0.01 1.25 1.82 -1.34 -1.53 116.42 117.48 2pru h ASP 61 Ca 0.14 -0.49 -0.05 0.00 -0.39 0.00 0.00 57.03 56.24 2pru h ASP 61 Cb 0.30 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.05 2pru h ASP 61 CO -0.32 1.25 -0.20 0.78 -1.61 0.00 0.00 179.24 179.13 2pru h ASN 62 N 0.66 0.16 0.64 2.28 -0.26 -0.82 -3.37 115.58 114.87 2pru h ASN 62 Ca 0.04 -0.84 -0.27 0.00 -0.56 0.00 0.00 56.30 54.67 2pru h ASN 62 Cb 1.02 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 38.21 2pru h ASN 62 CO 0.10 0.98 -1.33 -0.78 -1.06 0.00 0.00 177.43 175.33 2pru h ASP 63 N -0.64 0.26 -0.26 5.81 1.82 -0.42 -3.38 116.42 119.62 2pru h ASP 63 Ca -0.03 -0.33 -0.26 0.00 -0.39 0.00 0.00 57.03 56.03 2pru h ASP 63 Cb 1.02 -0.09 -0.09 0.00 0.68 0.00 0.00 39.33 40.85 2pru h ASP 63 CO 0.04 1.27 -0.18 0.61 -1.61 0.00 0.00 179.24 179.36 2pru n GLY 64 N 1.54 3.31 0.12 -0.78 0.00 -0.57 -4.13 105.19 104.67 2pru n GLY 64 Ca -0.10 -1.32 0.01 0.00 0.00 0.00 0.00 46.02 44.61 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 2.90 0.00 0.00 1.61 3.58 -1.80 -3.24 116.42 119.47 2pru h ASP 65 Ca 0.23 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.68 2pru h ASP 65 Cb 1.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.35 2pru h ASP 65 CO 0.38 0.56 -0.23 1.23 -2.88 0.00 0.00 179.24 178.31 2pru h GLY 66 N 3.54 0.00 -1.79 -0.78 0.00 -1.95 -3.50 103.07 98.58 2pru h GLY 66 Ca -0.06 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.52 2pru h GLY 66 CO 0.06 0.00 0.73 -1.83 0.00 0.00 0.00 176.54 175.50 2pru s GLU 67 N -1.64 0.87 -0.09 4.80 -1.05 -1.26 -4.77 118.70 115.56 2pru s GLU 67 Ca -0.07 -0.56 -0.01 0.00 -0.15 0.00 0.00 54.97 54.19 2pru s GLU 67 Cb 0.01 0.25 0.03 0.00 -0.44 0.00 0.00 34.13 33.97 2pru s GLU 67 CO 0.10 -0.41 -0.05 0.00 0.95 0.00 0.00 175.26 175.85 2pru s ASP 69 N 1.72 5.40 0.51 0.00 2.15 -1.26 -4.04 116.67 121.15 2pru s ASP 69 Ca 0.04 0.16 0.27 0.00 0.43 0.00 0.00 52.55 53.44 2pru s ASP 69 Cb -0.13 -1.13 1.35 0.00 -0.30 0.00 0.00 42.92 42.71 2pru s ASP 69 CO -0.06 -1.06 2.02 2.19 -0.17 0.00 0.00 175.17 178.09 2pru h PHE 70 N 0.08 0.00 -0.52 -5.34 -5.15 -1.98 0.16 116.94 104.19 2pru h PHE 70 Ca -0.44 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.25 2pru h PHE 70 Cb 1.28 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.43 2pru h PHE 70 CO 0.40 0.14 -0.01 0.37 -2.00 0.00 0.00 178.31 177.21 2pru h GLN 71 N 0.00 0.89 0.00 6.09 5.75 -2.00 -1.92 115.11 123.92 2pru h GLN 71 Ca -0.00 -0.26 -0.17 0.00 -0.15 0.00 0.00 58.65 58.07 2pru h GLN 71 Cb 0.42 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 2pru h GLN 71 CO 0.02 0.89 -0.98 0.93 -2.65 0.00 0.00 178.83 177.03 2pru h GLU 72 N 0.82 0.00 -0.02 1.69 5.08 -1.51 -1.36 114.58 119.28 2pru h GLU 72 Ca 0.15 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2pru h GLU 72 Cb 0.50 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 2pru h GLU 72 CO 0.02 0.58 -0.22 0.35 -1.00 0.00 0.00 179.01 178.74 2pru h PHE 73 N 0.00 -0.59 -0.29 4.33 3.04 -0.56 0.12 116.94 122.98 2pru h PHE 73 Ca -0.07 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.89 2pru h PHE 73 Cb 1.60 0.26 -0.01 0.00 2.56 0.00 0.00 35.95 40.36 2pru h PHE 73 CO 0.00 -0.31 0.18 1.98 -2.02 0.00 0.00 178.31 178.14 2pru h MET 74 N -0.34 0.40 0.01 1.11 4.05 -1.32 -2.94 114.93 115.89 2pru h MET 74 Ca 0.07 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.48 2pru h MET 74 Cb 0.43 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.09 2pru h MET 74 CO -0.22 0.31 -0.36 0.00 0.23 0.00 0.00 176.91 176.87 2pru h ALA 75 N 1.07 -0.56 -0.33 0.39 0.00 -0.50 0.12 119.26 119.45 2pru h ALA 75 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2pru h ALA 75 Cb 0.01 0.64 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2pru h ALA 75 CO -0.02 -0.89 0.15 0.74 0.00 0.00 0.00 179.25 179.23 2pru h PHE 76 N -0.52 0.49 -0.03 0.00 0.04 -0.83 0.21 116.94 116.30 2pru h PHE 76 Ca 0.05 -0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.69 2pru h PHE 76 Cb 0.60 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 2pru h PHE 76 CO -0.38 0.44 -0.49 -0.24 -0.60 0.00 0.00 178.31 177.04 2pru h VAL 77 N 0.39 1.35 0.21 -0.55 3.04 -1.32 -1.58 116.25 117.80 2pru h VAL 77 Ca 0.11 -1.71 -0.33 0.00 -1.01 0.00 0.00 66.70 63.77 2pru h VAL 77 Cb 0.14 1.89 0.04 0.00 -2.01 0.00 0.00 31.29 31.35 2pru h VAL 77 CO -0.01 0.49 -1.41 0.00 -1.01 0.00 0.00 177.57 175.63 2pru h ALA 78 N 1.44 -0.11 -0.32 3.17 0.00 -0.52 -3.19 119.26 119.73 2pru h ALA 78 Ca -0.00 -0.83 -0.13 0.00 0.00 0.00 0.00 54.91 53.95 2pru h ALA 78 Cb 0.90 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2pru h ALA 78 CO 0.07 0.70 -0.32 0.00 0.00 0.00 0.00 179.25 179.70 2pru h MET 79 N 0.19 0.69 -0.13 0.00 3.00 -0.43 -0.82 114.93 117.44 2pru h MET 79 Ca -0.23 -0.32 -0.06 0.00 0.00 0.00 0.00 59.70 59.09 2pru h MET 79 Cb 2.09 -0.01 -0.01 0.00 0.00 0.00 0.00 31.60 33.67 2pru h MET 79 CO 0.27 0.92 -0.20 -0.39 0.00 0.00 0.00 176.91 177.51 2pru h VAL 80 N 0.59 1.21 0.00 -0.10 -1.51 -1.40 -1.02 116.25 114.01 2pru h VAL 80 Ca 0.07 -0.95 -0.07 0.00 -1.23 0.00 0.00 66.70 64.52 2pru h VAL 80 Cb 0.83 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.31 2pru h VAL 80 CO 0.07 0.29 -0.34 0.74 -1.23 0.00 0.00 177.57 177.10 2pru h THR 81 N 0.21 0.61 0.00 7.19 2.02 -1.46 -3.32 112.91 118.16 2pru h THR 81 Ca 0.04 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.45 2pru h THR 81 Cb 0.47 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 2pru h THR 81 CO 0.03 0.34 0.00 0.35 0.37 0.00 0.00 175.52 176.61 2pru n THR 82 N -3.22 0.00 -3.56 3.16 -2.24 -0.34 -4.93 114.28 103.16 2pru n THR 82 Ca 0.02 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.48 2pru n THR 82 Cb 0.64 -0.19 0.02 0.00 -2.10 0.00 0.00 70.33 68.71 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 -2.65 -2.50 0.10 6.98 0.00 -0.46 -4.82 120.51 117.16 2pru n ALA 83 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2pru n ALA 83 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 -2.99 -1.75 0.00 0.00 -0.00 -1.26 -5.13 115.22 104.09 2pru n HIS 85 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2pru n HIS 85 Cb 0.00 0.45 0.00 0.00 -0.00 0.00 0.00 29.99 30.44 2pru n HIS 85 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 2pru n GLU 86 N -2.36 0.00 -0.34 1.57 -0.00 -1.26 -4.99 120.64 113.26 2pru n GLU 86 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.16 57.25 2pru n GLU 86 Cb 0.00 0.00 0.27 0.00 -0.00 0.00 0.00 31.44 31.71 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 0.00 0.87 -0.31 -1.84 3.72 -1.26 -4.59 117.46 114.05 2pru n PHE 87 Ca 0.00 -0.53 0.12 0.00 -0.05 0.00 0.00 57.45 56.99 2pru n PHE 87 Cb 0.00 -0.06 0.29 0.00 -0.94 0.00 0.00 39.48 38.77 2pru n PHE 87 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2pru h PHE 88 N 3.39 0.78 -0.01 1.38 3.57 -2.00 0.40 116.94 124.44 2pru h PHE 88 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2pru h PHE 88 Cb 0.98 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.52 2pru h PHE 88 CO 0.44 0.07 -0.01 0.39 -2.23 0.00 0.00 178.31 176.98 2pru n GLU 89 N -4.94 1.61 0.16 1.11 1.02 -1.26 -4.68 120.64 113.65 2pru n GLU 89 Ca 0.21 -0.90 0.00 0.00 -0.02 0.00 0.00 57.16 56.45 2pru n GLU 89 Cb 0.58 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 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 0.08 -2.84 -0.75 -0.32 -0.00 -0.19 -5.18 115.22 106.02 2pru n HIS 90 Ca 0.19 0.60 0.00 0.00 0.46 0.00 0.00 57.72 58.97 2pru n HIS 90 Cb 0.34 1.02 0.00 0.00 -0.12 0.00 0.00 29.99 31.23 2pru n HIS 90 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89