#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 0.31 0.19 1.43 4.57 -2.05 -2.67 114.58 116.36 2pru h GLU 2 Ca 0.00 -0.17 -0.31 0.00 -1.18 0.00 0.00 59.36 57.70 2pru h GLU 2 Cb 0.00 0.01 0.02 0.00 -0.16 0.00 0.00 28.75 28.62 2pru h GLU 2 CO 0.00 0.73 -1.42 1.25 -1.18 0.00 0.00 179.01 178.39 2pru h LEU 3 N -0.09 0.64 -0.20 1.64 5.85 -2.05 -3.16 115.31 117.95 2pru h LEU 3 Ca 0.02 -0.71 0.06 0.00 0.84 0.00 0.00 57.88 58.08 2pru h LEU 3 Cb 0.68 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.43 2pru h LEU 3 CO 0.03 1.56 -0.27 -0.33 -0.34 0.00 0.00 178.44 179.10 2pru h GLU 4 N 0.11 -0.29 -0.01 1.25 5.08 -1.99 0.28 114.58 119.00 2pru h GLU 4 Ca -0.22 0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 2pru h GLU 4 Cb 2.08 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 31.39 2pru h GLU 4 CO 0.23 -0.20 -0.48 1.57 -1.00 0.00 0.00 179.01 179.14 2pru h LYS 5 N -0.31 0.03 -0.19 2.33 2.10 -1.59 -2.35 116.57 116.59 2pru h LYS 5 Ca 0.12 -0.01 -0.10 0.00 -2.00 0.00 0.00 60.65 58.65 2pru h LYS 5 Cb 0.49 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2pru h LYS 5 CO -0.37 0.50 -0.28 0.00 -2.00 0.00 0.00 179.45 177.29 2pru h ALA 6 N 1.50 0.29 -0.25 0.07 0.00 -1.24 -0.48 119.26 119.15 2pru h ALA 6 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2pru h ALA 6 Cb 0.86 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2pru h ALA 6 CO 0.06 0.29 0.12 1.98 0.00 0.00 0.00 179.25 181.71 2pru h MET 7 N 0.18 0.36 -0.26 0.00 1.85 -0.40 -1.88 114.93 114.79 2pru h MET 7 Ca 0.02 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.06 2pru h MET 7 Cb 0.86 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.81 2pru h MET 7 CO 0.07 0.37 0.17 0.28 -0.40 0.00 0.00 176.91 177.39 2pru h VAL 8 N 0.27 1.07 -0.33 -5.77 2.07 -1.42 -2.68 116.25 109.46 2pru h VAL 8 Ca 0.09 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.53 2pru h VAL 8 Cb 0.12 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2pru h VAL 8 CO -0.01 0.06 0.06 0.00 0.02 0.00 0.00 177.57 177.70 2pru h ALA 9 N 1.10 0.34 -0.43 1.67 0.00 -0.77 0.38 119.26 121.54 2pru h ALA 9 Ca 0.10 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2pru h ALA 9 Cb -0.04 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2pru h ALA 9 CO -0.02 -0.35 0.14 -0.07 0.00 0.00 0.00 179.25 178.96 2pru h LEU 10 N 0.17 0.63 0.14 0.00 3.38 -1.22 -1.00 115.31 117.40 2pru h LEU 10 Ca 0.16 -0.20 -0.28 0.00 0.09 0.00 0.00 57.88 57.65 2pru h LEU 10 Cb 0.17 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.77 2pru h LEU 10 CO -0.21 0.66 -1.28 0.40 0.09 0.00 0.00 178.44 178.10 2pru h ILE 11 N 0.56 1.47 -0.25 1.22 2.04 -1.19 -3.17 117.51 118.18 2pru h ILE 11 Ca 0.14 -3.03 -0.18 0.00 1.00 0.00 0.00 64.86 62.80 2pru h ILE 11 Cb 0.25 2.94 -0.00 0.00 -0.74 0.00 0.00 36.82 39.27 2pru h ILE 11 CO -0.01 0.88 -0.55 -0.78 0.00 0.00 0.00 178.15 177.70 2pru h ASP 12 N 0.08 0.85 0.08 1.72 3.58 -0.18 -2.71 116.42 119.84 2pru h ASP 12 Ca -0.15 -0.46 -0.07 0.00 0.42 0.00 0.00 57.03 56.78 2pru h ASP 12 Cb 1.99 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.78 2pru h ASP 12 CO 0.21 1.23 -0.21 1.62 -2.88 0.00 0.00 179.24 179.20 2pru h VAL 13 N 0.59 1.22 -0.08 2.25 3.04 -1.28 -1.04 116.25 120.95 2pru h VAL 13 Ca 0.01 -1.02 0.00 0.00 -1.01 0.00 0.00 66.70 64.68 2pru h VAL 13 Cb 1.13 1.35 0.00 0.00 -2.01 0.00 0.00 31.29 31.77 2pru h VAL 13 CO 0.12 0.31 0.00 0.33 -1.01 0.00 0.00 177.57 177.32 2pru n PHE 14 N -4.19 0.12 -0.02 3.17 7.35 -1.04 -2.15 117.46 120.70 2pru n PHE 14 Ca -0.01 -0.06 -0.02 0.00 -0.76 0.00 0.00 57.45 56.60 2pru n PHE 14 Cb 0.33 -0.01 -0.02 0.00 0.35 0.00 0.00 39.48 40.13 2pru n PHE 14 CO 0.00 0.00 0.00 1.58 -0.76 0.00 0.00 176.76 177.58 2pru n HIS 15 N -0.23 0.00 -0.26 -5.13 -0.00 -0.50 -4.73 115.22 104.38 2pru n HIS 15 Ca 0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.74 2pru n HIS 15 Cb 0.09 -0.17 0.20 0.00 -0.00 0.00 0.00 29.99 30.11 2pru n HIS 15 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 2pru h GLN 16 N 0.00 1.08 -0.73 1.57 4.20 -0.75 -3.12 115.11 117.36 2pru h GLN 16 Ca -0.09 -0.08 0.16 0.00 0.06 0.00 0.00 58.65 58.70 2pru h GLN 16 Cb 1.19 -0.24 -0.12 0.00 0.30 0.00 0.00 27.48 28.61 2pru h GLN 16 CO -0.00 0.74 0.03 1.88 -0.67 0.00 0.00 178.83 180.80 2pru h TYR 17 N 1.11 -0.00 -1.94 2.96 -1.99 -1.84 -3.43 116.97 111.84 2pru h TYR 17 Ca 0.29 0.05 -0.01 0.00 2.00 0.00 0.00 58.73 61.07 2pru h TYR 17 Cb -0.09 0.11 -0.22 0.00 2.00 0.00 0.00 36.73 38.54 2pru h TYR 17 CO 0.00 -0.21 0.14 0.45 -0.00 0.00 0.00 178.16 178.55 2pru s SER 18 N -5.20 -0.77 -0.17 3.88 0.15 -1.18 -4.96 113.70 105.45 2pru s SER 18 Ca -0.13 1.39 0.13 0.00 0.70 0.00 0.00 55.95 58.04 2pru s SER 18 Cb 0.22 1.38 -0.24 0.00 -1.71 0.00 0.00 66.02 65.67 2pru s SER 18 CO 0.75 -0.23 0.16 0.61 1.20 0.00 0.00 173.24 175.73 2pru n GLY 19 N 3.15 -0.89 0.15 9.45 0.00 -1.26 -1.67 105.19 114.12 2pru n GLY 19 Ca -0.16 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 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 0.36 0.00 1.61 -0.00 -1.95 -3.15 114.38 111.25 2pru h ARG 20 Ca -0.50 -0.37 -0.23 0.00 -0.00 0.00 0.00 59.98 58.89 2pru h ARG 20 Cb 2.14 0.10 -0.03 0.00 -0.00 0.00 0.00 29.97 32.18 2pru h ARG 20 CO 0.03 1.04 -1.73 -1.91 -0.00 0.00 0.00 179.97 177.40 2pru n GLU 21 N -3.75 0.30 -0.04 0.08 4.07 -1.26 -4.60 120.64 115.44 2pru n GLU 21 Ca -0.05 0.13 -0.09 0.00 -0.06 0.00 0.00 57.16 57.09 2pru n GLU 21 Cb 0.80 -1.01 -0.02 0.00 -0.06 0.00 0.00 31.44 31.15 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 -0.51 0.24 -0.99 8.31 0.00 -1.68 0.79 103.07 109.23 2pru h GLY 22 Ca -0.34 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2pru h GLY 22 CO -0.21 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.56 2pru n ASP 23 N -5.07 1.40 -0.05 0.19 8.00 -0.67 0.46 116.55 120.80 2pru n ASP 23 Ca -0.02 -2.06 -0.07 0.00 0.71 0.00 0.00 54.79 53.34 2pru n ASP 23 Cb 0.09 -0.23 -0.05 0.00 -0.02 0.00 0.00 41.12 40.91 2pru n ASP 23 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2pru n LYS 24 N 0.13 0.25 -0.03 -1.24 5.02 -0.51 -4.83 118.16 116.95 2pru n LYS 24 Ca 0.07 0.06 -0.03 0.00 -2.02 0.00 0.00 58.31 56.40 2pru n LYS 24 Cb 0.25 -1.18 -0.06 0.00 -0.02 0.00 0.00 35.03 34.03 2pru n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2pru n HIS 25 N -2.86 0.00 -3.85 2.13 8.25 0.16 -5.11 115.22 113.94 2pru n HIS 25 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 2pru n HIS 25 Cb 0.69 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.44 2pru n HIS 25 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2pru n LYS 26 N -2.22 0.00 -4.38 -0.41 4.76 0.17 -4.84 118.16 111.24 2pru n LYS 26 Ca -0.11 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 54.98 2pru n LYS 26 Cb 0.69 0.00 -0.11 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 3.44 0.46 -0.35 1.02 -1.26 -4.32 118.68 117.66 2pru s LEU 27 Ca 0.00 0.03 -0.23 0.00 0.02 0.00 0.00 54.13 53.95 2pru s LEU 27 Cb 0.00 -1.80 -0.09 0.00 0.02 0.00 0.00 46.19 44.31 2pru s LEU 27 CO 0.00 0.29 1.02 2.29 0.02 0.00 0.00 176.35 179.97 2pru n LYS 28 N 2.73 1.31 0.28 1.70 0.00 -1.26 -1.14 118.16 121.79 2pru n LYS 28 Ca -0.18 0.48 0.18 0.00 -0.00 0.00 0.00 58.31 58.78 2pru n LYS 28 Cb 0.53 -2.10 0.72 0.00 -0.00 0.00 0.00 35.03 34.18 2pru n LYS 28 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 2pru h LYS 29 N 1.37 0.00 -0.17 -1.58 2.10 -1.70 0.05 116.57 116.63 2pru h LYS 29 Ca -0.46 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.17 2pru h LYS 29 Cb 1.34 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.66 2pru h LYS 29 CO 0.56 0.00 -0.01 0.66 -2.00 0.00 0.00 179.45 178.66 2pru h SER 30 N 0.00 0.23 1.34 7.07 4.64 -1.53 -1.38 113.55 123.92 2pru h SER 30 Ca -0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2pru h SER 30 Cb 0.48 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2pru h SER 30 CO 0.00 0.29 -0.41 -0.33 -0.87 0.00 0.00 176.83 175.51 2pru h GLU 31 N 0.25 0.00 0.00 4.77 4.39 -1.32 -3.03 114.58 119.64 2pru h GLU 31 Ca 0.06 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2pru h GLU 31 Cb 0.20 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2pru h GLU 31 CO 0.01 0.00 -0.01 1.25 -1.16 0.00 0.00 179.01 179.10 2pru h LEU 32 N 0.00 0.00 -1.18 1.33 7.12 -0.79 -0.04 115.31 121.74 2pru h LEU 32 Ca 0.00 0.00 0.13 0.00 0.13 0.00 0.00 57.88 58.14 2pru h LEU 32 Cb 0.87 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 40.93 2pru h LEU 32 CO 0.00 0.01 0.59 0.50 -0.13 0.00 0.00 178.44 179.41 2pru h LYS 33 N 0.00 0.80 -0.54 1.25 3.11 -1.46 -0.44 116.57 119.30 2pru h LYS 33 Ca -0.00 -0.05 -0.10 0.00 -2.81 0.00 0.00 60.65 57.69 2pru h LYS 33 Cb 0.05 -0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.08 2pru h LYS 33 CO 0.00 0.53 -0.06 0.93 -2.81 0.00 0.00 179.45 178.04 2pru h GLU 34 N 0.82 0.97 0.82 1.90 4.39 -1.21 -0.86 114.58 121.41 2pru h GLU 34 Ca 0.46 -0.32 -0.04 0.00 0.34 0.00 0.00 59.36 59.79 2pru h GLU 34 Cb 0.59 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.17 2pru h GLU 34 CO -0.22 0.99 -0.40 1.25 -1.16 0.00 0.00 179.01 179.48 2pru h LEU 35 N 0.88 -0.94 -1.13 1.33 7.12 -1.22 -2.86 115.31 118.49 2pru h LEU 35 Ca 0.15 0.03 -0.06 0.00 0.13 0.00 0.00 57.88 58.13 2pru h LEU 35 Cb 0.60 0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 40.95 2pru h LEU 35 CO 0.04 -0.58 -0.03 0.16 -0.13 0.00 0.00 178.44 177.90 2pru h ILE 36 N -1.29 1.22 0.00 4.05 3.07 -1.11 0.52 117.51 123.96 2pru h ILE 36 Ca -0.11 -0.89 -0.04 0.00 1.55 0.00 0.00 64.86 65.37 2pru h ILE 36 Cb 0.85 0.97 -0.01 0.00 -0.27 0.00 0.00 36.82 38.37 2pru h ILE 36 CO 0.19 0.30 -0.21 -1.13 -1.05 0.00 0.00 178.15 176.25 2pru h ASN 37 N 0.55 0.00 0.00 2.16 -1.24 -1.20 -3.33 115.58 112.52 2pru h ASN 37 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.12 2pru h ASN 37 Cb 0.39 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.44 2pru h ASN 37 CO 0.02 0.21 -0.46 0.59 -1.29 0.00 0.00 177.43 176.50 2pru n ASN 38 N -4.15 1.41 -4.14 1.15 3.02 -0.82 -4.66 115.26 107.08 2pru n ASN 38 Ca -0.02 0.22 -0.44 0.00 -0.03 0.00 0.00 54.58 54.31 2pru n ASN 38 Cb 0.28 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 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 -3.86 3.93 0.05 3.52 4.07 0.17 -3.91 120.64 124.60 2pru n GLU 39 Ca -0.06 -4.28 0.00 0.00 -0.06 0.00 0.00 57.16 52.76 2pru n GLU 39 Cb 0.24 -2.65 0.00 0.00 -0.06 0.00 0.00 31.44 28.97 2pru n GLU 39 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 2pru n LEU 40 N 2.66 -0.87 -4.49 4.31 0.00 -1.25 -4.43 117.00 112.92 2pru n LEU 40 Ca 0.29 0.29 -0.43 0.00 0.00 0.00 0.00 56.01 56.16 2pru n LEU 40 Cb 0.37 1.05 -0.02 0.00 0.00 0.00 0.00 43.42 44.81 2pru n LEU 40 CO 0.65 -0.07 1.20 -0.44 0.00 0.00 0.00 177.39 178.72 2pru s SER 41 N -1.41 6.61 0.16 1.96 0.01 -1.25 -4.31 113.70 115.47 2pru s SER 41 Ca 0.00 -1.91 0.00 0.00 1.31 0.00 0.00 55.95 55.35 2pru s SER 41 Cb 0.00 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2pru s SER 41 CO 0.00 -1.20 0.00 1.41 0.41 0.00 0.00 173.24 173.86 2pru n HIS 42 N 7.33 -0.89 1.01 2.43 8.25 -1.26 -4.83 115.22 127.26 2pru n HIS 42 Ca 0.28 0.16 0.11 0.00 -0.26 0.00 0.00 57.72 58.01 2pru n HIS 42 Cb 0.49 0.22 -0.04 0.00 1.12 0.00 0.00 29.99 31.78 2pru n HIS 42 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 2pru n PHE 43 N -3.40 0.00 -2.99 4.41 1.16 -1.26 -4.73 117.46 110.65 2pru n PHE 43 Ca 0.00 0.00 -0.44 0.00 -1.87 0.00 0.00 57.45 55.14 2pru n PHE 43 Cb 0.00 -0.02 -0.03 0.00 -1.61 0.00 0.00 39.48 37.82 2pru n PHE 43 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2pru s LEU 44 N -2.79 5.23 0.00 5.98 2.01 -1.26 -4.51 118.68 123.35 2pru s LEU 44 Ca 0.13 -1.94 0.00 0.00 0.01 0.00 0.00 54.13 52.33 2pru s LEU 44 Cb 0.17 -2.37 0.00 0.00 0.01 0.00 0.00 46.19 44.00 2pru s LEU 44 CO 0.74 -1.05 0.69 -0.62 1.01 0.00 0.00 176.35 177.12 2pru n GLU 45 N 6.33 0.00 0.00 1.70 1.02 -1.26 -4.49 120.64 123.94 2pru n GLU 45 Ca 0.16 -0.49 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 2pru n GLU 45 Cb 0.48 -0.27 0.00 0.00 -0.02 0.00 0.00 31.44 31.63 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 0.00 2.10 0.00 3.49 1.02 -1.26 -4.95 120.64 121.04 2pru n GLU 46 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2pru n GLU 46 Cb 0.59 -0.83 0.00 0.00 -0.02 0.00 0.00 31.44 31.18 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 -1.04 0.00 0.00 -3.67 -0.00 -1.26 -4.97 119.36 108.42 2pru n ILE 47 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2pru n ILE 47 Cb 0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.67 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 -0.48 0.00 0.00 0.38 3.00 -1.22 -5.01 118.16 114.83 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 0.39 0.00 0.00 0.00 177.40 177.79 2pru n GLU 49 N -2.26 0.00 -0.31 1.64 1.02 -0.70 -4.33 120.64 115.71 2pru n GLU 49 Ca 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.23 2pru n GLU 49 Cb 0.00 0.00 0.26 0.00 -0.02 0.00 0.00 31.44 31.68 2pru n GLU 49 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 2pru h GLN 50 N 0.00 0.59 0.00 3.49 3.07 -1.93 0.53 115.11 120.86 2pru h GLN 50 Ca 0.00 -0.04 -0.13 0.00 0.09 0.00 0.00 58.65 58.58 2pru h GLN 50 Cb 0.00 -0.13 -0.02 0.00 0.08 0.00 0.00 27.48 27.41 2pru h GLN 50 CO 0.00 0.39 -0.60 0.93 0.09 0.00 0.00 178.83 179.65 2pru h GLU 51 N 0.61 0.00 0.00 0.06 4.39 -1.95 -3.18 114.58 114.51 2pru h GLU 51 Ca 0.50 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.96 2pru h GLU 51 Cb 0.77 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.38 2pru h GLU 51 CO -0.39 0.60 -1.44 0.28 -1.16 0.00 0.00 179.01 176.89 2pru h VAL 52 N 0.00 0.96 0.01 3.13 2.07 -0.75 -3.22 116.25 118.45 2pru h VAL 52 Ca -0.01 -2.69 -0.00 0.00 0.82 0.00 0.00 66.70 64.83 2pru h VAL 52 Cb 1.18 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 33.38 2pru h VAL 52 CO 0.08 0.55 -0.00 0.58 0.02 0.00 0.00 177.57 178.79 2pru h VAL 53 N 0.00 1.14 -0.32 2.57 2.07 -0.13 0.57 116.25 122.14 2pru h VAL 53 Ca -0.19 -0.43 -0.06 0.00 0.82 0.00 0.00 66.70 66.84 2pru h VAL 53 Cb 1.85 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 2pru h VAL 53 CO 0.08 0.11 -0.05 0.44 0.02 0.00 0.00 177.57 178.17 2pru h ASP 54 N -0.20 0.49 0.77 0.57 5.19 -1.70 -1.09 116.42 120.46 2pru h ASP 54 Ca -0.00 -0.11 -0.18 0.00 -0.62 0.00 0.00 57.03 56.12 2pru h ASP 54 Cb 0.19 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.55 2pru h ASP 54 CO 0.00 0.60 -0.85 0.50 -3.12 0.00 0.00 179.24 176.37 2pru h LYS 55 N 0.49 0.05 -0.30 3.56 3.11 -1.49 -1.46 116.57 120.53 2pru h LYS 55 Ca 0.10 -0.06 -0.18 0.00 -2.81 0.00 0.00 60.65 57.70 2pru h LYS 55 Cb 0.40 0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.64 2pru h LYS 55 CO 0.02 0.87 -0.53 -0.24 -2.81 0.00 0.00 179.45 176.76 2pru h VAL 56 N 0.03 1.28 -0.19 2.00 3.04 0.58 -0.93 116.25 122.04 2pru h VAL 56 Ca -0.02 -1.71 -0.08 0.00 -1.01 0.00 0.00 66.70 63.88 2pru h VAL 56 Cb 1.49 1.60 -0.01 0.00 -2.01 0.00 0.00 31.29 32.35 2pru h VAL 56 CO 0.12 0.56 -0.22 0.24 -1.01 0.00 0.00 177.57 177.25 2pru h MET 57 N 0.67 0.34 0.33 4.17 2.86 -1.09 0.43 114.93 122.64 2pru h MET 57 Ca 0.02 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 2pru h MET 57 Cb 1.13 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.76 2pru h MET 57 CO 0.12 0.55 -0.16 1.49 1.06 0.00 0.00 176.91 179.97 2pru h GLU 58 N 0.31 -0.43 -0.54 1.72 4.81 -1.06 -2.87 114.58 116.52 2pru h GLU 58 Ca 0.05 0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2pru h GLU 58 Cb 0.57 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 2pru h GLU 58 CO 0.04 -0.13 0.08 1.79 -0.73 0.00 0.00 179.01 180.07 2pru h THR 59 N -0.99 1.25 -0.71 0.32 1.35 -1.08 0.20 112.91 113.25 2pru h THR 59 Ca -0.05 -0.96 0.03 0.00 -0.55 0.00 0.00 66.41 64.89 2pru h THR 59 Cb 0.50 0.84 -0.05 0.00 -1.73 0.00 0.00 68.15 67.71 2pru h THR 59 CO 0.07 0.35 0.44 0.25 -0.25 0.00 0.00 175.52 176.38 2pru h LEU 60 N 0.77 0.72 -0.24 3.87 5.85 -1.04 0.42 115.31 125.66 2pru h LEU 60 Ca 0.16 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.67 2pru h LEU 60 Cb 0.41 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.29 2pru h LEU 60 CO 0.01 0.49 -0.76 -0.78 -0.34 0.00 0.00 178.44 177.07 2pru h ASP 61 N 0.86 0.80 -0.37 1.25 3.58 -1.26 -0.28 116.42 121.00 2pru h ASP 61 Ca 0.29 -0.52 -0.06 0.00 0.42 0.00 0.00 57.03 57.16 2pru h ASP 61 Cb 0.04 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 2pru h ASP 61 CO -0.12 1.30 0.01 -1.13 -2.88 0.00 0.00 179.24 176.43 2pru h ASN 62 N 0.46 0.63 -0.36 2.28 -0.73 -0.04 -2.80 115.58 115.01 2pru h ASN 62 Ca -0.04 -0.30 -0.06 0.00 1.87 0.00 0.00 56.30 57.77 2pru h ASN 62 Cb 1.37 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 39.78 2pru h ASN 62 CO 0.15 0.77 0.00 -0.78 -0.37 0.00 0.00 177.43 177.20 2pru h ASP 63 N 0.46 0.62 0.00 1.15 1.82 -0.20 -3.47 116.42 116.81 2pru h ASP 63 Ca 0.11 -0.30 0.00 0.00 -0.39 0.00 0.00 57.03 56.44 2pru h ASP 63 Cb 0.44 -0.17 0.00 0.00 0.68 0.00 0.00 39.33 40.29 2pru h ASP 63 CO 0.02 0.78 0.00 0.61 -1.61 0.00 0.00 179.24 179.03 2pru n GLY 64 N -0.36 1.56 3.91 -0.78 0.00 -0.12 -4.84 105.19 104.56 2pru n GLY 64 Ca -0.01 -0.53 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 2pru n GLY 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pru s ASP 65 N -4.00 6.06 0.00 1.61 1.01 -1.26 -2.07 116.67 118.02 2pru s ASP 65 Ca 0.00 0.91 0.00 0.00 0.71 0.00 0.00 52.55 54.17 2pru s ASP 65 Cb 0.00 -2.10 0.00 0.00 1.01 0.00 0.00 42.92 41.83 2pru s ASP 65 CO 0.00 -0.75 0.00 0.61 0.21 0.00 0.00 175.17 175.24 2pru n GLY 66 N -2.40 0.67 1.32 0.21 0.00 -1.26 -4.85 105.19 98.87 2pru n GLY 66 Ca 0.02 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.19 2pru n GLY 66 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2pru n GLU 67 N 0.00 -2.85 -3.71 1.61 4.71 -1.26 -4.90 120.64 114.24 2pru n GLU 67 Ca 0.00 2.34 -0.36 0.00 -0.01 0.00 0.00 57.16 59.13 2pru n GLU 67 Cb 0.00 -3.42 -0.06 0.00 -1.01 0.00 0.00 31.44 26.95 2pru n GLU 67 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2pru s ASP 69 N -1.36 5.86 0.50 0.00 -1.08 -1.26 -4.80 116.67 114.53 2pru s ASP 69 Ca 0.24 0.60 0.18 0.00 -0.52 0.00 0.00 52.55 53.05 2pru s ASP 69 Cb -0.14 -1.79 1.27 0.00 -1.46 0.00 0.00 42.92 40.80 2pru s ASP 69 CO 0.12 -0.79 2.10 2.19 0.52 0.00 0.00 175.17 179.31 2pru h PHE 70 N 0.16 0.00 -0.22 -5.34 -5.15 -2.01 -0.65 116.94 103.72 2pru h PHE 70 Ca -0.46 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.23 2pru h PHE 70 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.40 2pru h PHE 70 CO 0.49 0.08 -0.22 1.96 -2.00 0.00 0.00 178.31 178.62 2pru h GLN 71 N 0.00 0.40 -0.04 6.09 4.20 -2.00 -3.07 115.11 120.69 2pru h GLN 71 Ca -0.00 -0.13 -0.14 0.00 0.06 0.00 0.00 58.65 58.43 2pru h GLN 71 Cb 0.15 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2pru h GLN 71 CO 0.01 0.60 -0.63 0.93 -0.67 0.00 0.00 178.83 179.08 2pru h GLU 72 N 0.36 0.16 -0.30 1.46 5.08 -1.49 0.19 114.58 120.04 2pru h GLU 72 Ca 0.06 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2pru h GLU 72 Cb 0.59 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2pru h GLU 72 CO 0.04 0.73 0.18 0.35 -1.00 0.00 0.00 179.01 179.32 2pru h PHE 73 N 0.11 0.35 -0.32 4.33 3.04 -1.46 -0.61 116.94 122.38 2pru h PHE 73 Ca -0.01 0.01 -0.16 0.00 3.98 0.00 0.00 57.97 61.79 2pru h PHE 73 Cb 1.13 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 39.52 2pru h PHE 73 CO 0.01 0.21 -0.42 1.98 -2.02 0.00 0.00 178.31 178.08 2pru h MET 74 N 0.38 0.85 0.67 1.11 4.05 -1.53 -3.23 114.93 117.22 2pru h MET 74 Ca 0.11 -0.49 -0.03 0.00 -0.28 0.00 0.00 59.70 59.02 2pru h MET 74 Cb -0.02 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 2pru h MET 74 CO -0.04 1.13 -0.46 0.00 0.23 0.00 0.00 176.91 177.76 2pru h ALA 75 N 0.72 -1.14 -0.68 0.39 0.00 -0.14 -0.76 119.26 117.65 2pru h ALA 75 Ca 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2pru h ALA 75 Cb 1.02 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 19.37 2pru h ALA 75 CO 0.10 -1.16 0.38 0.74 0.00 0.00 0.00 179.25 179.31 2pru h PHE 76 N -1.08 0.93 -0.18 0.00 -1.00 -1.25 -0.49 116.94 113.87 2pru h PHE 76 Ca -0.08 -0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.61 2pru h PHE 76 Cb 0.88 -0.30 -0.00 0.00 3.61 0.00 0.00 35.95 40.14 2pru h PHE 76 CO -0.14 0.66 -0.13 -0.24 -1.61 0.00 0.00 178.31 176.85 2pru h VAL 77 N 0.93 1.32 -0.13 -0.55 3.04 -1.56 -1.93 116.25 117.37 2pru h VAL 77 Ca 0.24 -1.23 -0.12 0.00 -1.01 0.00 0.00 66.70 64.58 2pru h VAL 77 Cb 0.03 1.73 -0.01 0.00 -2.01 0.00 0.00 31.29 31.03 2pru h VAL 77 CO -0.04 0.37 -0.44 0.00 -1.01 0.00 0.00 177.57 176.45 2pru h ALA 78 N 0.66 1.01 0.00 3.17 0.00 -0.96 -2.30 119.26 120.85 2pru h ALA 78 Ca 0.04 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.35 2pru h ALA 78 Cb 0.64 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2pru h ALA 78 CO 0.03 0.62 -0.74 0.00 0.00 0.00 0.00 179.25 179.17 2pru h MET 79 N 0.25 0.00 -0.30 0.00 -0.00 -1.07 -0.46 114.93 113.35 2pru h MET 79 Ca 0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.58 2pru h MET 79 Cb 0.88 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.47 2pru h MET 79 CO 0.07 0.74 -0.38 -0.39 -0.00 0.00 0.00 176.91 176.94 2pru h VAL 80 N 0.00 1.29 -0.14 -0.10 -1.51 -1.09 -2.30 116.25 112.40 2pru h VAL 80 Ca -0.01 -1.55 -0.03 0.00 -1.23 0.00 0.00 66.70 63.89 2pru h VAL 80 Cb 1.47 1.47 -0.00 0.00 -2.13 0.00 0.00 31.29 32.09 2pru h VAL 80 CO 0.10 0.50 -0.02 0.74 -1.23 0.00 0.00 177.57 177.65 2pru h THR 81 N 0.58 1.28 0.00 7.19 2.02 -1.35 -1.85 112.91 120.77 2pru h THR 81 Ca 0.05 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.29 2pru h THR 81 Cb 0.91 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 2pru h THR 81 CO 0.08 0.27 0.00 0.35 0.37 0.00 0.00 175.52 176.60 2pru n THR 82 N -4.73 0.00 0.00 3.16 -2.24 -0.19 -3.42 114.28 106.87 2pru n THR 82 Ca -0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2pru n THR 82 Cb 0.24 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 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 -1.25 0.00 1.11 6.98 0.00 -0.87 -3.13 120.51 123.36 2pru n ALA 83 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2pru n ALA 83 Cb 0.00 0.00 0.45 0.00 0.00 0.00 0.00 19.45 19.90 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 -2.84 0.89 0.22 0.00 5.65 -1.18 -5.12 115.29 112.90 2pru s HIS 85 Ca 0.17 -0.29 -0.30 0.00 0.25 0.00 0.00 55.06 54.89 2pru s HIS 85 Cb 0.19 -0.78 -0.08 0.00 -1.18 0.00 0.00 32.58 30.72 2pru s HIS 85 CO 0.59 -0.25 1.06 -1.21 -0.65 0.00 0.00 174.74 174.28 2pru s GLU 86 N 1.08 4.66 -0.61 2.88 8.01 -1.26 -4.68 118.70 128.77 2pru s GLU 86 Ca -0.08 1.69 -0.26 0.00 0.01 0.00 0.00 54.97 56.32 2pru s GLU 86 Cb -0.14 -3.26 -0.09 0.00 -4.31 0.00 0.00 34.13 26.33 2pru s GLU 86 CO -0.01 0.21 2.39 -0.59 0.01 0.00 0.00 175.26 177.27 2pru s PHE 87 N -0.68 1.12 0.00 1.61 -0.71 -1.24 -4.68 117.98 113.39 2pru s PHE 87 Ca 0.46 1.70 0.00 0.00 -1.04 0.00 0.00 56.93 58.05 2pru s PHE 87 Cb -0.29 -3.54 0.00 0.00 -1.21 0.00 0.00 43.02 37.98 2pru s PHE 87 CO 0.36 -2.15 0.00 1.19 -1.34 0.00 0.00 175.22 173.28 2pru n PHE 88 N 16.88 0.00 0.21 3.49 3.72 0.03 -4.77 117.46 137.03 2pru n PHE 88 Ca 0.40 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.89 2pru n PHE 88 Cb 0.50 0.00 0.40 0.00 -0.94 0.00 0.00 39.48 39.44 2pru n PHE 88 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 2pru h GLU 89 N 0.00 0.00 0.00 -1.08 5.08 -2.03 -3.42 114.58 113.14 2pru h GLU 89 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pru h GLU 89 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2pru h GLU 89 CO 0.00 0.26 0.00 1.58 -1.00 0.00 0.00 179.01 179.85 2pru n HIS 90 N -3.40 0.00 -1.98 4.33 -0.00 -1.26 -5.30 115.22 107.61 2pru n HIS 90 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2pru n HIS 90 Cb 0.47 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.34 2pru n HIS 90 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19