#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 1.21 0.00 4.33 4.57 -2.06 -2.63 114.58 120.00 2pru h GLU 2 Ca 0.00 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.02 2pru h GLU 2 Cb 0.00 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.34 2pru h GLU 2 CO 0.00 0.87 -0.16 -0.07 -1.18 0.00 0.00 179.01 178.48 2pru h LEU 3 N 1.21 0.00 -0.39 1.64 -0.00 -2.05 -1.97 115.31 113.76 2pru h LEU 3 Ca 0.31 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 58.15 2pru h LEU 3 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.65 2pru h LEU 3 CO -0.05 0.16 0.07 -0.08 -0.00 0.00 0.00 178.44 178.54 2pru h GLU 4 N 0.00 0.63 -0.31 1.13 4.81 -1.91 0.16 114.58 119.10 2pru h GLU 4 Ca -0.00 -0.16 -0.15 0.00 -0.13 0.00 0.00 59.36 58.91 2pru h GLU 4 Cb 0.73 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2pru h GLU 4 CO 0.02 0.68 -0.42 0.87 -0.73 0.00 0.00 179.01 179.44 2pru h LYS 5 N 0.48 0.76 -0.16 1.92 1.57 -1.49 -2.47 116.57 117.18 2pru h LYS 5 Ca 0.12 -0.40 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 2pru h LYS 5 Cb 0.35 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2pru h LYS 5 CO 0.01 1.03 -0.03 0.00 -0.57 0.00 0.00 179.45 179.88 2pru h ALA 6 N 0.92 0.22 -0.72 3.86 0.00 -1.09 -1.84 119.26 120.61 2pru h ALA 6 Ca 0.05 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2pru h ALA 6 Cb 0.97 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2pru h ALA 6 CO 0.09 -0.02 0.26 1.98 0.00 0.00 0.00 179.25 181.56 2pru h MET 7 N 0.02 1.09 -0.46 0.00 1.85 -0.69 -1.47 114.93 115.27 2pru h MET 7 Ca 0.04 -0.21 -0.01 0.00 -0.61 0.00 0.00 59.70 58.90 2pru h MET 7 Cb 0.46 -0.17 -0.02 0.00 0.43 0.00 0.00 31.60 32.30 2pru h MET 7 CO 0.02 0.92 0.23 0.28 -0.40 0.00 0.00 176.91 177.95 2pru h VAL 8 N 1.04 1.15 -0.53 -5.77 2.07 -1.41 -2.35 116.25 110.46 2pru h VAL 8 Ca 0.24 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.35 2pru h VAL 8 Cb 0.25 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2pru h VAL 8 CO -0.01 0.18 0.33 0.00 0.02 0.00 0.00 177.57 178.08 2pru h ALA 9 N 1.61 0.67 0.17 1.67 0.00 -0.38 0.26 119.26 123.26 2pru h ALA 9 Ca 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2pru h ALA 9 Cb 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2pru h ALA 9 CO -0.02 0.05 -0.08 -0.07 0.00 0.00 0.00 179.25 179.12 2pru h LEU 10 N 0.65 -0.19 -0.38 0.00 4.07 -1.23 -2.33 115.31 115.90 2pru h LEU 10 Ca 0.21 -0.07 -0.19 0.00 0.08 0.00 0.00 57.88 57.91 2pru h LEU 10 Cb -0.01 0.05 -0.00 0.00 1.08 0.00 0.00 40.66 41.78 2pru h LEU 10 CO -0.08 -0.05 -0.66 0.16 -1.08 0.00 0.00 178.44 176.73 2pru h ILE 11 N -0.31 1.32 -0.39 1.22 3.07 -1.25 -3.02 117.51 118.14 2pru h ILE 11 Ca -0.02 -1.94 -0.13 0.00 1.55 0.00 0.00 64.86 64.31 2pru h ILE 11 Cb 0.25 1.91 -0.01 0.00 -0.27 0.00 0.00 36.82 38.70 2pru h ILE 11 CO 0.04 0.60 -0.27 -0.78 -1.05 0.00 0.00 178.15 176.69 2pru h ASP 12 N 0.43 0.92 -0.38 2.16 3.58 -0.52 -2.86 116.42 119.76 2pru h ASP 12 Ca -0.02 -0.43 -0.05 0.00 0.42 0.00 0.00 57.03 56.95 2pru h ASP 12 Cb 1.24 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 42.01 2pru h ASP 12 CO 0.13 1.16 0.07 0.58 -2.88 0.00 0.00 179.24 178.29 2pru h VAL 13 N 0.69 1.21 -0.65 2.25 2.07 -1.41 0.27 116.25 120.68 2pru h VAL 13 Ca 0.08 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 2pru h VAL 13 Cb 0.85 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2pru h VAL 13 CO 0.07 0.29 0.22 -0.26 0.02 0.00 0.00 177.57 177.92 2pru h PHE 14 N 0.67 1.00 -0.36 1.57 -1.00 -1.45 -0.83 116.94 116.54 2pru h PHE 14 Ca 0.15 -0.08 -0.12 0.00 2.81 0.00 0.00 57.97 60.73 2pru h PHE 14 Cb 0.31 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 2pru h PHE 14 CO 0.01 0.79 -0.23 1.25 -1.61 0.00 0.00 178.31 178.52 2pru h HIS 15 N 0.95 0.92 -0.89 -0.55 2.76 -1.04 -3.05 115.15 114.25 2pru h HIS 15 Ca 0.22 -0.24 0.13 0.00 -2.20 0.00 0.00 60.37 58.27 2pru h HIS 15 Cb 0.24 -0.21 -0.09 0.00 1.55 0.00 0.00 27.41 28.91 2pru h HIS 15 CO 0.02 1.00 0.50 1.96 -1.30 0.00 0.00 177.93 180.11 2pru h GLN 16 N 0.57 0.74 -3.40 5.26 1.08 0.12 0.55 115.11 120.03 2pru h GLN 16 Ca 0.07 -0.04 -0.61 0.00 -1.45 0.00 0.00 58.65 56.62 2pru h GLN 16 Cb 0.79 -0.17 0.02 0.00 -0.05 0.00 0.00 27.48 28.06 2pru h GLN 16 CO 0.06 0.49 3.33 0.66 -0.95 0.00 0.00 178.83 182.42 2pru n TYR 17 N -4.77 2.36 -1.27 2.96 4.01 -0.38 -4.53 117.16 115.54 2pru n TYR 17 Ca 0.17 -2.73 -0.09 0.00 -0.16 0.00 0.00 57.90 55.09 2pru n TYR 17 Cb 0.39 -2.27 -0.04 0.00 -0.31 0.00 0.00 39.34 37.11 2pru n TYR 17 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2pru n SER 18 N 4.50 -5.74 -3.47 7.72 7.64 -1.17 -4.71 113.62 118.39 2pru n SER 18 Ca 0.64 0.23 -0.40 0.00 1.01 0.00 0.00 58.87 60.35 2pru n SER 18 Cb 0.25 -4.05 -0.02 0.00 -1.01 0.00 0.00 64.21 59.39 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 0.32 4.56 0.00 0.23 0.00 0.18 -0.74 105.19 109.74 2pru n GLY 19 Ca -0.09 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.23 2pru n GLY 19 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2pru n ARG 20 N 3.55 0.58 0.00 1.61 0.00 -1.26 -4.37 116.66 116.76 2pru n ARG 20 Ca 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.52 2pru n ARG 20 Cb 0.27 -0.62 0.00 0.00 -0.00 0.00 0.00 32.46 32.11 2pru n ARG 20 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2pru n GLU 21 N -1.22 0.00 -0.21 2.89 -0.00 -1.19 -4.92 120.64 115.98 2pru n GLU 21 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2pru n GLU 21 Cb 0.12 -0.03 0.11 0.00 -0.00 0.00 0.00 31.44 31.64 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 0.00 0.91 -3.71 -1.84 0.00 -1.89 -3.39 103.07 93.14 2pru h GLY 22 Ca 0.00 -0.16 -0.54 0.00 0.00 0.00 0.00 47.33 46.63 2pru h GLY 22 CO 0.00 0.01 -0.22 -0.35 0.00 0.00 0.00 176.54 175.98 2pru s ASP 23 N -5.43 6.48 0.00 0.19 2.15 0.08 -4.97 116.67 115.18 2pru s ASP 23 Ca -0.13 0.66 0.00 0.00 0.43 0.00 0.00 52.55 53.51 2pru s ASP 23 Cb 0.17 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 40.67 2pru s ASP 23 CO 0.75 -0.07 0.58 1.17 -0.17 0.00 0.00 175.17 177.44 2pru n LYS 24 N -0.41 0.82 -2.33 4.34 4.81 -1.26 -4.35 118.16 119.78 2pru n LYS 24 Ca -0.02 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.21 2pru n LYS 24 Cb 0.53 -1.24 -0.02 0.00 0.02 0.00 0.00 35.03 34.32 2pru n LYS 24 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2pru n HIS 25 N -0.16 -0.92 -3.37 5.64 8.25 -1.26 -4.94 115.22 118.46 2pru n HIS 25 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 2pru n HIS 25 Cb 0.12 -3.93 -0.09 0.00 1.12 0.00 0.00 29.99 27.21 2pru n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2pru s LYS 26 N -4.94 0.33 0.14 -0.41 -0.14 -1.26 -5.05 119.74 108.41 2pru s LYS 26 Ca 0.00 0.30 -0.03 0.00 -1.36 0.00 0.00 55.97 54.87 2pru s LYS 26 Cb 0.00 -0.59 -0.08 0.00 -1.68 0.00 0.00 37.83 35.49 2pru s LYS 26 CO 0.00 -0.78 1.32 1.25 -0.76 0.00 0.00 175.35 176.37 2pru h LEU 27 N 8.21 0.50 -0.30 3.17 7.12 -1.79 -3.44 115.31 128.78 2pru h LEU 27 Ca -0.16 -0.40 0.00 0.00 0.13 0.00 0.00 57.88 57.45 2pru h LEU 27 Cb 1.13 -0.15 0.00 0.00 -0.53 0.00 0.00 40.66 41.11 2pru h LEU 27 CO 0.28 1.19 -0.26 0.29 -0.13 0.00 0.00 178.44 179.81 2pru n LYS 28 N -3.74 -1.36 0.29 1.25 4.01 -1.26 -4.36 118.16 112.99 2pru n LYS 28 Ca -0.06 1.00 0.17 0.00 -0.51 0.00 0.00 58.31 58.90 2pru n LYS 28 Cb 0.82 -1.12 0.89 0.00 -0.51 0.00 0.00 35.03 35.11 2pru n LYS 28 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 2pru h LYS 29 N 0.61 0.00 -0.41 1.97 1.57 -1.83 -2.26 116.57 116.22 2pru h LYS 29 Ca 0.00 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2pru h LYS 29 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 2pru h LYS 29 CO 0.00 0.05 0.13 0.77 -0.57 0.00 0.00 179.45 179.83 2pru h SER 30 N 0.00 0.11 1.47 0.86 0.02 -1.85 -2.07 113.55 112.10 2pru h SER 30 Ca -0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2pru h SER 30 Cb 0.23 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2pru h SER 30 CO 0.01 0.10 -0.34 -0.33 -1.14 0.00 0.00 176.83 175.12 2pru h GLU 31 N 0.28 0.00 0.00 3.45 4.39 -1.61 -3.00 114.58 118.08 2pru h GLU 31 Ca 0.19 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 2pru h GLU 31 Cb 0.19 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2pru h GLU 31 CO -0.21 0.00 -0.00 1.25 -1.16 0.00 0.00 179.01 178.89 2pru h LEU 32 N 0.00 0.00 -1.17 1.33 7.12 -1.14 -1.40 115.31 120.06 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 0.91 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 40.96 2pru h LEU 32 CO 0.00 0.00 0.60 0.50 -0.13 0.00 0.00 178.44 179.41 2pru h LYS 33 N 0.00 0.80 -0.06 1.25 3.11 -1.37 0.34 116.57 120.63 2pru h LYS 33 Ca -0.00 -0.05 -0.19 0.00 -2.81 0.00 0.00 60.65 57.60 2pru h LYS 33 Cb 0.05 -0.18 -0.00 0.00 -1.00 0.00 0.00 32.23 31.10 2pru h LYS 33 CO 0.00 0.53 -0.78 0.93 -2.81 0.00 0.00 179.45 177.32 2pru h GLU 34 N 0.82 0.41 0.35 1.90 5.08 -1.50 -2.42 114.58 119.22 2pru h GLU 34 Ca 0.47 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2pru h GLU 34 Cb 0.62 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2pru h GLU 34 CO -0.23 1.00 -0.17 1.25 -1.00 0.00 0.00 179.01 179.87 2pru h LEU 35 N 0.27 -0.40 -0.88 1.33 7.12 -1.22 0.13 115.31 121.68 2pru h LEU 35 Ca -0.04 -0.03 -0.06 0.00 0.13 0.00 0.00 57.88 57.88 2pru h LEU 35 Cb 1.37 0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 41.57 2pru h LEU 35 CO 0.13 -0.23 0.16 0.16 -0.13 0.00 0.00 178.44 178.53 2pru h ILE 36 N -0.54 1.25 -0.00 4.05 3.07 -1.02 0.66 117.51 124.98 2pru h ILE 36 Ca -0.05 -0.90 -0.14 0.00 1.55 0.00 0.00 64.86 65.32 2pru h ILE 36 Cb 0.40 0.59 0.01 0.00 -0.27 0.00 0.00 36.82 37.56 2pru h ILE 36 CO 0.08 0.34 -0.55 -1.13 -1.05 0.00 0.00 178.15 175.84 2pru h ASN 37 N 0.94 0.49 0.00 2.16 -0.00 -1.39 -3.37 115.58 114.41 2pru h ASN 37 Ca 0.20 -0.76 0.00 0.00 -0.00 0.00 0.00 56.30 55.74 2pru h ASN 37 Cb 0.33 -0.15 0.00 0.00 -0.00 0.00 0.00 38.32 38.50 2pru h ASN 37 CO -0.00 1.19 -0.55 -3.20 -0.00 0.00 0.00 177.43 174.86 2pru n ASN 38 N -4.26 1.12 0.00 1.15 2.85 0.46 -4.50 115.26 112.08 2pru n ASN 38 Ca -0.10 0.19 0.14 0.00 -0.11 0.00 0.00 54.58 54.70 2pru n ASN 38 Cb 0.65 -0.61 0.72 0.00 1.24 0.00 0.00 39.78 41.77 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 -3.63 0.39 -0.04 1.20 -0.58 -0.54 -3.42 120.64 114.02 2pru n GLU 39 Ca -0.08 0.02 -0.22 0.00 -0.42 0.00 0.00 57.16 56.46 2pru n GLU 39 Cb 0.29 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.53 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 -1.29 2.29 -3.89 -4.62 0.00 0.11 -4.96 117.00 104.64 2pru n LEU 40 Ca 0.13 0.30 -0.15 0.00 0.00 0.00 0.00 56.01 56.29 2pru n LEU 40 Cb 0.23 -1.05 -0.15 0.00 0.00 0.00 0.00 43.42 42.45 2pru n LEU 40 CO 0.22 0.60 -0.38 -0.44 0.00 0.00 0.00 177.39 177.39 2pru s SER 41 N -6.97 0.39 -0.02 1.96 0.01 -1.22 -4.99 113.70 102.86 2pru s SER 41 Ca -0.26 -0.05 -0.02 0.00 1.31 0.00 0.00 55.95 56.94 2pru s SER 41 Cb 0.06 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.17 2pru s SER 41 CO 0.69 -0.01 0.20 0.45 0.41 0.00 0.00 173.24 174.97 2pru h HIS 42 N 6.51 -0.05 0.00 2.43 3.86 -1.91 -3.43 115.15 122.56 2pru h HIS 42 Ca -0.33 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.87 2pru h HIS 42 Cb 1.17 0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.64 2pru h HIS 42 CO 0.44 -0.03 -0.26 1.19 0.86 0.00 0.00 177.93 180.13 2pru n PHE 43 N -2.67 0.00 -2.63 2.45 3.72 -1.26 -4.96 117.46 112.11 2pru n PHE 43 Ca -0.01 -0.70 -0.42 0.00 -0.05 0.00 0.00 57.45 56.27 2pru n PHE 43 Cb 0.02 -0.13 -0.02 0.00 -0.94 0.00 0.00 39.48 38.41 2pru n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2pru s LEU 44 N -1.84 3.85 0.00 4.37 2.01 -1.26 -4.37 118.68 121.43 2pru s LEU 44 Ca 0.23 -1.79 0.00 0.00 0.01 0.00 0.00 54.13 52.57 2pru s LEU 44 Cb 0.21 -2.54 0.00 0.00 0.01 0.00 0.00 46.19 43.87 2pru s LEU 44 CO 0.00 -1.35 0.75 -0.62 1.01 0.00 0.00 176.35 176.15 2pru n GLU 45 N 8.33 0.00 -0.40 1.70 1.02 -1.26 -4.89 120.64 125.13 2pru n GLU 45 Ca 0.35 -0.68 0.00 0.00 -0.02 0.00 0.00 57.16 56.81 2pru n GLU 45 Cb 0.49 -0.40 0.00 0.00 -0.02 0.00 0.00 31.44 31.52 2pru n GLU 45 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2pru n GLU 46 N 0.00 0.00 0.00 3.49 0.28 -1.26 -4.24 120.64 118.91 2pru n GLU 46 Ca 0.00 -0.91 -0.03 0.00 -0.16 0.00 0.00 57.16 56.07 2pru n GLU 46 Cb 0.61 -0.50 -0.01 0.00 1.43 0.00 0.00 31.44 32.97 2pru n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2pru n ILE 47 N -0.00 1.20 0.00 3.84 5.41 -1.26 -4.99 119.36 123.56 2pru n ILE 47 Ca 0.00 0.30 0.00 0.00 1.00 0.00 0.00 62.75 64.05 2pru n ILE 47 Cb 0.66 -1.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.80 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 -3.71 0.00 0.26 0.38 4.76 -1.26 -4.87 118.16 113.73 2pru n LYS 48 Ca -0.04 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.52 2pru n LYS 48 Cb 0.16 -0.24 0.73 0.00 -1.84 0.00 0.00 35.03 33.84 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 -0.63 1.97 9.09 -1.40 -1.78 114.58 121.83 2pru h GLU 49 Ca 0.00 0.00 0.10 0.00 0.05 0.00 0.00 59.36 59.51 2pru h GLU 49 Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.06 2pru h GLU 49 CO 0.00 0.11 0.42 -0.56 0.05 0.00 0.00 179.01 179.03 2pru h GLN 50 N 0.00 0.42 0.04 1.06 3.07 -1.85 0.58 115.11 118.42 2pru h GLN 50 Ca -0.00 -0.03 -0.08 0.00 0.09 0.00 0.00 58.65 58.63 2pru h GLN 50 Cb 0.27 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 27.74 2pru h GLN 50 CO 0.01 0.28 -0.41 0.93 0.09 0.00 0.00 178.83 179.73 2pru h GLU 51 N 0.43 0.08 -0.47 0.06 3.07 -1.70 -3.40 114.58 112.65 2pru h GLU 51 Ca 0.29 -0.14 -0.10 0.00 -0.50 0.00 0.00 59.36 58.92 2pru h GLU 51 Cb 0.58 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 2pru h GLU 51 CO -0.08 1.07 -0.09 0.28 -1.40 0.00 0.00 179.01 178.78 2pru h VAL 52 N -0.82 1.26 -0.93 3.13 2.07 -1.00 -3.18 116.25 116.79 2pru h VAL 52 Ca -0.09 -1.17 0.10 0.00 0.82 0.00 0.00 66.70 66.36 2pru h VAL 52 Cb 1.23 1.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.92 2pru h VAL 52 CO 0.01 0.41 0.57 0.58 0.02 0.00 0.00 177.57 179.16 2pru h VAL 53 N 0.77 0.95 -0.52 2.57 2.07 -0.08 0.46 116.25 122.46 2pru h VAL 53 Ca 0.13 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 2pru h VAL 53 Cb 0.59 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2pru h VAL 53 CO 0.04 0.17 0.10 -0.78 0.02 0.00 0.00 177.57 177.12 2pru h ASP 54 N 0.95 0.82 0.24 0.57 3.58 -1.78 0.31 116.42 121.11 2pru h ASP 54 Ca 0.45 -0.25 -0.11 0.00 0.42 0.00 0.00 57.03 57.53 2pru h ASP 54 Cb 0.38 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2pru h ASP 54 CO -0.24 0.86 -0.44 0.11 -2.88 0.00 0.00 179.24 176.65 2pru h LYS 55 N 0.74 0.25 -0.77 0.28 1.57 -1.28 -2.32 116.57 115.04 2pru h LYS 55 Ca 0.16 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2pru h LYS 55 Cb 0.38 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 2pru h LYS 55 CO 0.01 0.65 0.35 0.28 -0.57 0.00 0.00 179.45 180.17 2pru h VAL 56 N 0.21 1.25 0.00 0.50 2.07 0.39 0.78 116.25 121.45 2pru h VAL 56 Ca 0.02 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 2pru h VAL 56 Cb 0.86 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2pru h VAL 56 CO 0.07 0.30 -0.15 0.24 0.02 0.00 0.00 177.57 178.05 2pru h MET 57 N 1.10 0.00 0.03 1.57 2.86 -0.39 0.24 114.93 120.34 2pru h MET 57 Ca 0.26 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.90 2pru h MET 57 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 2pru h MET 57 CO -0.03 0.15 -0.01 0.93 1.06 0.00 0.00 176.91 179.00 2pru h GLU 58 N 0.00 -0.04 -0.57 1.72 5.08 -1.20 -3.38 114.58 116.19 2pru h GLU 58 Ca -0.00 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 2pru h GLU 58 Cb 0.43 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2pru h GLU 58 CO 0.02 -0.03 0.38 1.79 -1.00 0.00 0.00 179.01 180.18 2pru h THR 59 N -0.93 0.90 -1.04 1.13 1.35 -0.70 0.99 112.91 114.61 2pru h THR 59 Ca -0.00 -0.13 0.28 0.00 -0.55 0.00 0.00 66.41 66.01 2pru h THR 59 Cb 0.03 0.49 -0.07 0.00 -1.73 0.00 0.00 68.15 66.87 2pru h THR 59 CO 0.01 0.07 0.71 0.25 -0.25 0.00 0.00 175.52 176.30 2pru h LEU 60 N 0.38 0.25 0.00 3.87 5.85 -0.70 -0.96 115.31 124.00 2pru h LEU 60 Ca 0.26 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.91 2pru h LEU 60 Cb 0.53 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 2pru h LEU 60 CO -0.07 0.06 -1.42 -0.67 -0.34 0.00 0.00 178.44 176.00 2pru n ASP 61 N -4.43 3.15 0.25 1.25 2.03 -0.53 -4.52 116.55 113.75 2pru n ASP 61 Ca 0.24 -0.03 0.09 0.00 0.52 0.00 0.00 54.79 55.61 2pru n ASP 61 Cb 0.97 -0.13 0.66 0.00 -0.72 0.00 0.00 41.12 41.90 2pru n ASP 61 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2pru h ASN 62 N -0.03 0.00 0.06 1.67 -0.26 -0.73 -3.19 115.58 113.11 2pru h ASN 62 Ca -0.17 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.57 2pru h ASN 62 Cb 1.25 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.51 2pru h ASN 62 CO -0.03 0.09 -0.03 -0.78 -1.06 0.00 0.00 177.43 175.62 2pru h ASP 63 N 0.00 -0.07 -5.09 5.81 3.58 -1.40 -3.48 116.42 115.77 2pru h ASP 63 Ca -0.00 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 57.04 2pru h ASP 63 Cb 0.18 0.02 0.08 0.00 1.72 0.00 0.00 39.33 41.33 2pru h ASP 63 CO 0.01 -0.03 -0.64 0.61 -2.88 0.00 0.00 179.24 176.32 2pru n GLY 64 N 0.24 -0.53 0.35 -0.78 0.00 -1.21 -4.89 105.19 98.36 2pru n GLY 64 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.89 0.87 0.00 1.61 3.58 -1.92 -3.44 116.42 115.23 2pru h ASP 65 Ca -0.54 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 56.87 2pru h ASP 65 Cb 1.37 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.20 2pru h ASP 65 CO 0.57 0.65 0.00 0.61 -2.88 0.00 0.00 179.24 178.19 2pru n GLY 66 N -1.36 -0.27 7.00 -0.78 0.00 -1.26 -5.13 105.19 103.39 2pru n GLY 66 Ca 0.08 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 0.00 -3.67 1.61 1.02 -1.26 -4.74 120.64 113.60 2pru n GLU 67 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 2pru n GLU 67 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.32 2pru n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pru n ASP 69 N 4.95 1.31 0.29 0.00 9.92 -1.26 -2.20 116.55 129.56 2pru n ASP 69 Ca -0.14 -0.20 0.17 0.00 -0.53 0.00 0.00 54.79 54.09 2pru n ASP 69 Cb 0.52 0.00 0.87 0.00 -0.64 0.00 0.00 41.12 41.87 2pru n ASP 69 CO 0.00 0.00 0.00 2.19 0.13 0.00 0.00 177.20 179.52 2pru h PHE 70 N 0.20 0.00 0.03 1.24 -5.15 -1.97 -1.31 116.94 109.97 2pru h PHE 70 Ca 0.00 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2pru h PHE 70 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 2pru h PHE 70 CO 0.00 0.06 -0.02 0.37 -2.00 0.00 0.00 178.31 176.72 2pru h GLN 71 N 0.00 -0.04 -0.70 6.09 5.75 -1.98 0.43 115.11 124.65 2pru h GLN 71 Ca -0.00 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.45 2pru h GLN 71 Cb 0.25 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 2pru h GLN 71 CO 0.01 0.56 0.21 0.93 -2.65 0.00 0.00 178.83 177.89 2pru h GLU 72 N -0.68 1.08 0.26 1.69 3.07 -1.92 -0.17 114.58 117.91 2pru h GLU 72 Ca -0.00 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 58.63 2pru h GLU 72 Cb 0.62 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 2pru h GLU 72 CO 0.01 0.92 -0.41 0.35 -1.40 0.00 0.00 179.01 178.48 2pru h PHE 73 N 1.04 -1.15 -0.96 4.33 3.04 -1.17 -0.40 116.94 121.67 2pru h PHE 73 Ca 0.23 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.20 2pru h PHE 73 Cb 0.30 0.47 -0.05 0.00 2.56 0.00 0.00 35.95 39.23 2pru h PHE 73 CO 0.02 -0.50 0.62 1.98 -2.02 0.00 0.00 178.31 178.41 2pru h MET 74 N -0.70 1.28 0.32 1.11 4.05 -0.82 -2.31 114.93 117.85 2pru h MET 74 Ca -0.03 -0.09 -0.00 0.00 -0.28 0.00 0.00 59.70 59.30 2pru h MET 74 Cb 0.65 -0.28 -0.02 0.00 -0.80 0.00 0.00 31.60 31.15 2pru h MET 74 CO -0.13 0.86 -0.28 0.00 0.23 0.00 0.00 176.91 177.59 2pru h ALA 75 N 1.34 -0.61 -0.07 0.39 0.00 -0.64 0.97 119.26 120.65 2pru h ALA 75 Ca 0.35 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2pru h ALA 75 Cb -0.13 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 2pru h ALA 75 CO -0.07 -0.87 0.02 0.74 0.00 0.00 0.00 179.25 179.07 2pru h PHE 76 N -0.61 0.12 -0.28 0.00 0.04 -0.95 -0.52 116.94 114.74 2pru h PHE 76 Ca -0.02 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.66 2pru h PHE 76 Cb 0.54 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.64 2pru h PHE 76 CO -0.16 0.30 -0.17 -0.24 -0.60 0.00 0.00 178.31 177.44 2pru h VAL 77 N -0.08 1.24 0.02 -0.55 3.04 -1.35 -2.31 116.25 116.25 2pru h VAL 77 Ca 0.02 -1.10 -0.00 0.00 -1.01 0.00 0.00 66.70 64.61 2pru h VAL 77 Cb 0.23 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 2pru h VAL 77 CO -0.00 0.36 -0.01 0.00 -1.01 0.00 0.00 177.57 176.91 2pru h ALA 78 N 1.38 -0.02 0.00 3.17 0.00 -0.73 -3.19 119.26 119.86 2pru h ALA 78 Ca 0.08 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2pru h ALA 78 Cb 0.55 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2pru h ALA 78 CO 0.04 -0.10 -0.12 0.00 0.00 0.00 0.00 179.25 179.07 2pru h MET 79 N -0.86 0.00 0.08 0.00 -0.00 -1.04 0.26 114.93 113.37 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 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.36 2pru h MET 79 CO 0.00 0.12 -0.04 -0.39 -0.00 0.00 0.00 176.91 176.60 2pru h VAL 80 N 0.00 1.18 0.00 -0.10 -1.51 -1.52 -3.21 116.25 111.10 2pru h VAL 80 Ca -0.00 -1.19 -0.14 0.00 -1.23 0.00 0.00 66.70 64.14 2pru h VAL 80 Cb 0.38 1.92 -0.02 0.00 -2.13 0.00 0.00 31.29 31.45 2pru h VAL 80 CO 0.02 0.28 -0.68 0.74 -1.23 0.00 0.00 177.57 176.70 2pru h THR 81 N -0.68 1.21 0.00 7.19 2.02 -1.46 -0.61 112.91 120.59 2pru h THR 81 Ca -0.01 -2.60 0.00 0.00 0.77 0.00 0.00 66.41 64.57 2pru h THR 81 Cb 0.55 2.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 2pru h THR 81 CO 0.02 0.67 0.00 0.35 0.37 0.00 0.00 175.52 176.92 2pru n THR 82 N -3.32 0.00 -0.84 3.16 -2.24 0.87 -4.67 114.28 107.23 2pru n THR 82 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 2pru n THR 82 Cb 0.79 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 -2.39 0.00 -3.51 6.98 0.00 -1.21 -4.84 120.51 115.54 2pru n ALA 83 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 2pru n ALA 83 Cb 0.00 -1.34 -0.05 0.00 0.00 0.00 0.00 19.45 18.06 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 0.69 0.00 0.06 0.00 1.44 -1.26 -3.90 115.22 112.25 2pru n HIS 85 Ca -0.18 -0.50 -0.23 0.00 -2.01 0.00 0.00 57.72 54.81 2pru n HIS 85 Cb 0.58 -0.27 -0.15 0.00 0.12 0.00 0.00 29.99 30.27 2pru n HIS 85 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 2pru h GLU 86 N 0.67 0.38 -0.06 -1.40 4.57 -1.90 -3.41 114.58 113.44 2pru h GLU 86 Ca 0.00 -0.65 0.00 0.00 -1.18 0.00 0.00 59.36 57.53 2pru h GLU 86 Cb 0.80 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.63 2pru h GLU 86 CO 0.00 1.31 0.00 1.97 -1.18 0.00 0.00 179.01 181.11 2pru n PHE 87 N -3.58 0.00 -1.50 0.92 -1.74 -1.25 -4.52 117.46 105.79 2pru n PHE 87 Ca -0.26 -0.00 -0.40 0.00 -0.56 0.00 0.00 57.45 56.24 2pru n PHE 87 Cb 1.07 -0.00 -0.02 0.00 1.52 0.00 0.00 39.48 42.05 2pru n PHE 87 CO 0.00 0.00 0.00 1.19 -0.56 0.00 0.00 176.76 177.39 2pru n PHE 88 N 0.49 2.58 0.00 2.97 3.72 -1.26 -3.49 117.46 122.46 2pru n PHE 88 Ca 0.00 -3.03 0.00 0.00 -0.05 0.00 0.00 57.45 54.37 2pru n PHE 88 Cb 0.01 -2.37 0.00 0.00 -0.94 0.00 0.00 39.48 36.17 2pru n PHE 88 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2pru n GLU 89 N 3.51 0.00 0.00 -1.08 2.13 -1.26 -4.91 120.64 119.03 2pru n GLU 89 Ca 0.72 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.54 2pru n GLU 89 Cb 0.25 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.96 2pru n GLU 89 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2pru n HIS 90 N 0.00 0.00 0.00 4.31 8.25 -1.23 -5.29 115.22 121.27 2pru n HIS 90 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2pru n HIS 90 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2pru n HIS 90 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13