#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 0.19 -0.34 1.43 4.57 -2.06 -3.01 114.58 115.36 2pru h GLU 2 Ca 0.00 -0.33 -0.08 0.00 -1.18 0.00 0.00 59.36 57.77 2pru h GLU 2 Cb 0.00 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 2pru h GLU 2 CO 0.00 1.16 -0.11 1.25 -1.18 0.00 0.00 179.01 180.13 2pru h LEU 3 N -0.40 0.58 0.00 1.64 7.12 -2.06 -2.54 115.31 119.66 2pru h LEU 3 Ca -0.32 -0.16 0.03 0.00 0.13 0.00 0.00 57.88 57.56 2pru h LEU 3 Cb 1.69 -0.15 -0.04 0.00 -0.53 0.00 0.00 40.66 41.63 2pru h LEU 3 CO 0.01 0.73 -0.19 -0.08 -0.13 0.00 0.00 178.44 178.78 2pru h GLU 4 N 0.55 -0.30 -0.94 1.25 4.81 -2.01 -1.50 114.58 116.44 2pru h GLU 4 Ca 0.10 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 2pru h GLU 4 Cb 0.52 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.91 2pru h GLU 4 CO 0.03 -0.20 0.61 0.87 -0.73 0.00 0.00 179.01 179.59 2pru h LYS 5 N -0.31 1.13 -0.22 1.92 1.57 -1.32 -0.80 116.57 118.54 2pru h LYS 5 Ca 0.06 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2pru h LYS 5 Cb 0.38 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2pru h LYS 5 CO -0.18 0.74 0.15 0.00 -0.57 0.00 0.00 179.45 179.59 2pru h ALA 6 N 1.40 0.28 -0.07 3.86 0.00 -1.10 0.11 119.26 123.74 2pru h ALA 6 Ca 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 2pru h ALA 6 Cb 0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2pru h ALA 6 CO -0.14 -0.24 0.00 1.98 0.00 0.00 0.00 179.25 180.86 2pru h MET 7 N 0.30 0.12 -0.26 0.00 1.85 -0.73 -2.44 114.93 113.77 2pru h MET 7 Ca 0.08 -0.04 -0.07 0.00 -0.61 0.00 0.00 59.70 59.06 2pru h MET 7 Cb -0.03 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 31.98 2pru h MET 7 CO -0.02 0.39 -0.14 -0.24 -0.40 0.00 0.00 176.91 176.50 2pru h VAL 8 N -0.16 1.23 -0.56 -5.77 3.04 -1.06 -2.35 116.25 110.62 2pru h VAL 8 Ca 0.02 -1.01 -0.05 0.00 -1.01 0.00 0.00 66.70 64.65 2pru h VAL 8 Cb 0.33 1.18 -0.02 0.00 -2.01 0.00 0.00 31.29 30.77 2pru h VAL 8 CO 0.00 0.33 0.16 0.00 -1.01 0.00 0.00 177.57 177.05 2pru h ALA 9 N 1.44 0.73 -0.80 3.17 0.00 -0.67 0.41 119.26 123.55 2pru h ALA 9 Ca 0.08 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2pru h ALA 9 Cb 0.49 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 2pru h ALA 9 CO 0.03 0.40 0.51 -0.07 0.00 0.00 0.00 179.25 180.12 2pru h LEU 10 N 0.78 0.85 0.00 0.00 3.38 -0.93 0.15 115.31 119.54 2pru h LEU 10 Ca 0.18 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 2pru h LEU 10 Cb 0.30 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2pru h LEU 10 CO -0.00 0.59 -1.05 0.16 0.09 0.00 0.00 178.44 178.22 2pru h ILE 11 N 1.00 0.66 0.09 1.22 3.07 -1.26 -3.15 117.51 119.15 2pru h ILE 11 Ca 0.32 -2.10 -0.27 0.00 1.55 0.00 0.00 64.86 64.36 2pru h ILE 11 Cb 0.00 2.19 -0.01 0.00 -0.27 0.00 0.00 36.82 38.74 2pru h ILE 11 CO -0.11 0.38 -1.24 -0.78 -1.05 0.00 0.00 178.15 175.34 2pru h ASP 12 N 0.00 0.31 -0.20 2.16 3.58 0.20 0.65 116.42 123.12 2pru h ASP 12 Ca -0.10 -0.35 -0.06 0.00 0.42 0.00 0.00 57.03 56.94 2pru h ASP 12 Cb 1.50 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 42.43 2pru h ASP 12 CO 0.05 1.28 -0.04 0.58 -2.88 0.00 0.00 179.24 178.23 2pru h VAL 13 N 0.05 1.21 -0.57 2.25 2.07 -0.84 0.18 116.25 120.61 2pru h VAL 13 Ca -0.13 -0.87 -0.08 0.00 0.82 0.00 0.00 66.70 66.45 2pru h VAL 13 Cb 1.94 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 2pru h VAL 13 CO 0.18 0.29 0.05 0.15 0.02 0.00 0.00 177.57 178.26 2pru h PHE 14 N 0.50 1.04 -0.39 1.57 3.57 -1.48 -0.22 116.94 121.54 2pru h PHE 14 Ca 0.10 -0.16 0.03 0.00 3.53 0.00 0.00 57.97 61.47 2pru h PHE 14 Cb 0.39 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 2pru h PHE 14 CO 0.01 0.92 0.18 1.25 -2.23 0.00 0.00 178.31 178.44 2pru h HIS 15 N 0.86 0.33 -0.77 0.41 2.76 -0.02 -1.40 115.15 117.32 2pru h HIS 15 Ca 0.17 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.31 2pru h HIS 15 Cb 0.47 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.31 2pru h HIS 15 CO 0.03 0.16 0.32 1.96 -1.30 0.00 0.00 177.93 179.11 2pru h GLN 16 N 0.37 1.13 0.00 5.26 4.20 -0.17 -0.22 115.11 125.69 2pru h GLN 16 Ca 0.17 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2pru h GLN 16 Cb 0.09 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.68 2pru h GLN 16 CO -0.13 0.91 0.00 0.66 -0.67 0.00 0.00 178.83 179.60 2pru n TYR 17 N -4.33 0.00 -1.76 2.96 4.02 -0.14 -4.86 117.16 113.06 2pru n TYR 17 Ca 0.07 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.78 2pru n TYR 17 Cb 0.17 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.43 2pru n TYR 17 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2pru n SER 18 N -0.84 -5.20 -2.77 7.72 7.64 -0.09 -4.86 113.62 115.22 2pru n SER 18 Ca 0.12 0.32 -0.28 0.00 1.01 0.00 0.00 58.87 60.03 2pru n SER 18 Cb 0.06 -4.28 -0.08 0.00 -1.01 0.00 0.00 64.21 58.89 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 -0.83 3.88 0.00 0.23 0.00 -0.59 -1.12 105.19 106.76 2pru n GLY 19 Ca -0.19 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 2.80 0.00 0.01 1.61 -4.01 -1.25 -3.07 116.66 112.75 2pru n ARG 20 Ca 0.62 0.00 -0.03 0.00 -1.04 0.00 0.00 57.85 57.40 2pru n ARG 20 Cb 0.51 0.00 -0.01 0.00 -3.04 0.00 0.00 32.46 29.92 2pru n ARG 20 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 2pru n GLU 21 N -0.71 0.14 -0.11 2.89 0.00 -1.05 -3.61 120.64 118.19 2pru n GLU 21 Ca 0.00 0.06 -0.08 0.00 0.00 0.00 0.00 57.16 57.14 2pru n GLU 21 Cb 0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 31.44 30.69 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 -0.27 0.49 -1.81 8.31 0.00 -1.49 -3.43 103.07 104.87 2pru h GLY 22 Ca -0.01 -0.17 -0.44 0.00 0.00 0.00 0.00 47.33 46.71 2pru h GLY 22 CO -0.00 0.16 -0.03 -0.35 0.00 0.00 0.00 176.54 176.31 2pru s ASP 23 N -5.49 5.18 -1.35 0.19 -1.08 -0.44 -4.96 116.67 108.72 2pru s ASP 23 Ca -0.13 -0.10 -0.16 0.00 -0.52 0.00 0.00 52.55 51.64 2pru s ASP 23 Cb 0.10 -0.72 0.02 0.00 -1.46 0.00 0.00 42.92 40.86 2pru s ASP 23 CO 0.72 -1.22 2.13 1.17 0.52 0.00 0.00 175.17 178.48 2pru n LYS 24 N -2.37 2.71 0.00 4.34 0.00 -1.26 -3.96 118.16 117.61 2pru n LYS 24 Ca 0.09 -2.59 0.00 0.00 0.00 0.00 0.00 58.31 55.81 2pru n LYS 24 Cb 0.60 -3.28 0.00 0.00 0.00 0.00 0.00 35.03 32.35 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 6.72 0.00 -3.76 5.64 -0.00 -1.24 -4.80 115.22 117.79 2pru n HIS 25 Ca 0.51 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 58.13 2pru n HIS 25 Cb 0.40 -0.21 -0.05 0.00 -0.00 0.00 0.00 29.99 30.13 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 0.00 1.15 -0.00 1.57 1.02 -1.18 -4.10 119.74 118.20 2pru s LYS 26 Ca 0.00 -0.88 -0.10 0.00 0.02 0.00 0.00 55.97 55.01 2pru s LYS 26 Cb 0.00 0.45 -0.05 0.00 -0.52 0.00 0.00 37.83 37.71 2pru s LYS 26 CO 0.00 -0.45 0.32 -1.17 -0.92 0.00 0.00 175.35 173.13 2pru s LEU 27 N -2.86 4.41 0.31 3.17 2.96 -0.95 -4.60 118.68 121.11 2pru s LEU 27 Ca 0.08 0.74 -0.30 0.00 -0.22 0.00 0.00 54.13 54.43 2pru s LEU 27 Cb 0.02 -2.60 -0.12 0.00 0.50 0.00 0.00 46.19 43.99 2pru s LEU 27 CO -0.07 0.29 1.56 0.29 -1.32 0.00 0.00 176.35 177.10 2pru n LYS 28 N 1.48 2.67 -0.20 1.98 4.76 -1.26 0.86 118.16 128.45 2pru n LYS 28 Ca -0.13 0.95 0.09 0.00 -2.87 0.00 0.00 58.31 56.34 2pru n LYS 28 Cb 0.53 -2.71 0.38 0.00 -1.84 0.00 0.00 35.03 31.39 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 4.30 0.68 -0.18 1.97 1.57 -0.53 0.40 116.57 124.77 2pru h LYS 29 Ca -0.48 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.30 2pru h LYS 29 Cb 1.23 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 2pru h LYS 29 CO 0.75 0.45 0.13 0.77 -0.57 0.00 0.00 179.45 180.98 2pru h SER 30 N 0.70 0.08 1.21 0.86 0.02 -1.85 -0.03 113.55 114.54 2pru h SER 30 Ca 0.35 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2pru h SER 30 Cb 0.44 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.96 2pru h SER 30 CO -0.13 0.05 -0.47 -0.33 -1.14 0.00 0.00 176.83 174.81 2pru h GLU 31 N 0.09 0.00 0.00 3.45 4.39 -1.29 -3.06 114.58 118.16 2pru h GLU 31 Ca 0.08 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 2pru h GLU 31 Cb 0.21 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2pru h GLU 31 CO -0.01 0.00 -0.01 1.25 -1.16 0.00 0.00 179.01 179.08 2pru h LEU 32 N 0.00 0.00 -0.79 1.33 7.12 -0.71 -0.95 115.31 121.31 2pru h LEU 32 Ca 0.00 0.00 0.10 0.00 0.13 0.00 0.00 57.88 58.11 2pru h LEU 32 Cb 0.84 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 40.90 2pru h LEU 32 CO 0.00 0.01 0.43 0.50 -0.13 0.00 0.00 178.44 179.25 2pru h LYS 33 N 0.00 0.69 -0.53 1.25 3.11 -1.51 0.79 116.57 120.37 2pru h LYS 33 Ca -0.00 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.79 2pru h LYS 33 Cb 0.06 -0.16 -0.03 0.00 -1.00 0.00 0.00 32.23 31.11 2pru h LYS 33 CO 0.00 0.46 0.29 0.93 -2.81 0.00 0.00 179.45 178.32 2pru h GLU 34 N 0.71 0.74 0.71 1.90 4.39 -1.38 -2.18 114.58 119.46 2pru h GLU 34 Ca 0.39 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.97 2pru h GLU 34 Cb 0.39 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 28.90 2pru h GLU 34 CO -0.26 0.57 -0.34 1.25 -1.16 0.00 0.00 179.01 179.07 2pru h LEU 35 N 0.71 -0.80 -1.38 1.33 7.12 -1.27 -1.31 115.31 119.71 2pru h LEU 35 Ca 0.19 0.02 -0.02 0.00 0.13 0.00 0.00 57.88 58.20 2pru h LEU 35 Cb 0.04 0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 40.36 2pru h LEU 35 CO -0.03 -0.56 0.17 0.16 -0.13 0.00 0.00 178.44 178.05 2pru h ILE 36 N -0.97 1.16 0.12 4.05 3.07 -0.86 -1.39 117.51 122.69 2pru h ILE 36 Ca -0.10 -0.49 -0.01 0.00 1.55 0.00 0.00 64.86 65.82 2pru h ILE 36 Cb 0.73 0.66 0.00 0.00 -0.27 0.00 0.00 36.82 37.95 2pru h ILE 36 CO 0.16 0.19 -0.06 -1.13 -1.05 0.00 0.00 178.15 176.26 2pru h ASN 37 N 0.59 -0.14 0.00 2.16 -0.73 -1.27 -3.42 115.58 112.77 2pru h ASN 37 Ca 0.14 -0.18 0.00 0.00 1.87 0.00 0.00 56.30 58.13 2pru h ASN 37 Cb 0.12 0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.74 2pru h ASN 37 CO -0.01 0.11 0.00 -3.20 -0.37 0.00 0.00 177.43 173.95 2pru n ASN 38 N -5.06 0.00 -3.83 1.15 2.85 -0.50 -4.80 115.26 105.07 2pru n ASN 38 Ca -0.09 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 53.96 2pru n ASN 38 Cb 0.17 -0.23 0.00 0.00 1.24 0.00 0.00 39.78 40.97 2pru n ASN 38 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2pru n GLU 39 N -2.36 3.77 0.00 1.20 4.07 -0.56 -3.94 120.64 122.81 2pru n GLU 39 Ca 0.00 -3.57 0.00 0.00 -0.06 0.00 0.00 57.16 53.53 2pru n GLU 39 Cb 0.00 -2.87 0.00 0.00 -0.06 0.00 0.00 31.44 28.51 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 3.50 0.00 0.00 4.31 0.00 -1.16 -4.66 117.00 119.00 2pru n LEU 40 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.42 2pru n LEU 40 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.77 2pru n LEU 40 CO 0.80 -0.25 0.00 -1.20 0.00 0.00 0.00 177.39 176.74 2pru n SER 41 N -1.76 0.00 -0.62 1.96 7.64 -1.25 -5.01 113.62 114.57 2pru n SER 41 Ca 0.00 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.94 2pru n SER 41 Cb 0.00 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.34 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 -0.09 0.00 -0.38 1.43 8.25 -1.26 -4.84 115.22 118.33 2pru n HIS 42 Ca 0.00 -1.09 0.00 0.00 -0.26 0.00 0.00 57.72 56.37 2pru n HIS 42 Cb 0.00 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 30.92 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 -0.82 -1.01 0.00 4.41 3.72 -1.26 -5.11 117.46 117.39 2pru n PHE 43 Ca 0.14 0.53 0.00 0.00 -0.05 0.00 0.00 57.45 58.07 2pru n PHE 43 Cb 0.76 -1.89 0.00 0.00 -0.94 0.00 0.00 39.48 37.41 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 -0.41 0.00 -0.12 4.37 7.99 -1.26 -4.99 117.00 122.58 2pru n LEU 44 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.80 2pru n LEU 44 Cb 0.00 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.21 2pru n LEU 44 CO 0.00 0.00 -1.30 -0.62 -1.51 0.00 0.00 177.39 173.96 2pru n GLU 45 N -0.99 0.57 -2.88 3.23 1.02 -1.26 -4.83 120.64 115.49 2pru n GLU 45 Ca 0.00 0.17 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 2pru n GLU 45 Cb 0.00 -1.44 -0.04 0.00 -0.02 0.00 0.00 31.44 29.94 2pru n GLU 45 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2pru s GLU 46 N -2.47 4.02 -0.68 3.49 8.01 -1.26 -4.87 118.70 124.94 2pru s GLU 46 Ca -0.33 0.74 0.01 0.00 0.01 0.00 0.00 54.97 55.40 2pru s GLU 46 Cb 0.10 -3.71 0.17 0.00 -4.31 0.00 0.00 34.13 26.38 2pru s GLU 46 CO 0.51 -0.69 0.49 0.42 0.01 0.00 0.00 175.26 176.00 2pru s ILE 47 N 3.05 3.37 -0.08 -1.63 -1.09 -1.26 -4.65 121.20 118.91 2pru s ILE 47 Ca 0.35 -3.62 0.05 0.00 -2.23 0.00 0.00 60.65 55.20 2pru s ILE 47 Cb -0.14 -3.20 0.08 0.00 -1.58 0.00 0.00 42.46 37.63 2pru s ILE 47 CO 0.12 -0.94 1.05 0.29 -1.23 0.00 0.00 174.94 174.23 2pru n LYS 48 N 2.72 2.65 -0.13 2.79 4.76 -1.25 -4.84 118.16 124.85 2pru n LYS 48 Ca 0.13 -1.77 -0.10 0.00 -2.87 0.00 0.00 58.31 53.70 2pru n LYS 48 Cb 0.35 -1.13 -0.02 0.00 -1.84 0.00 0.00 35.03 32.40 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 0.15 0.65 -0.85 1.97 -0.00 -1.83 -2.39 114.58 112.26 2pru h GLU 49 Ca 0.00 -0.19 0.16 0.00 -0.00 0.00 0.00 59.36 59.33 2pru h GLU 49 Cb 0.63 -0.07 -0.10 0.00 -0.00 0.00 0.00 28.75 29.21 2pru h GLU 49 CO 0.00 0.73 0.43 -0.56 -0.00 0.00 0.00 179.01 179.60 2pru h GLN 50 N 0.48 0.56 0.03 1.06 3.07 -1.90 0.37 115.11 118.79 2pru h GLN 50 Ca 0.11 -0.03 -0.11 0.00 0.09 0.00 0.00 58.65 58.71 2pru h GLN 50 Cb 0.41 -0.13 -0.00 0.00 0.08 0.00 0.00 27.48 27.84 2pru h GLN 50 CO 0.01 0.37 -0.55 1.05 0.09 0.00 0.00 178.83 179.81 2pru h GLU 51 N 0.58 0.07 0.00 0.06 4.11 -1.97 -3.37 114.58 114.07 2pru h GLU 51 Ca 0.48 -0.12 -0.12 0.00 0.07 0.00 0.00 59.36 59.67 2pru h GLU 51 Cb 0.72 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 2pru h GLU 51 CO -0.39 1.06 -0.57 0.28 0.07 0.00 0.00 179.01 179.45 2pru h VAL 52 N -0.83 1.35 -0.05 -1.06 2.07 -0.85 -1.86 116.25 115.01 2pru h VAL 52 Ca -0.13 -2.00 -0.10 0.00 0.82 0.00 0.00 66.70 65.29 2pru h VAL 52 Cb 1.24 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 2pru h VAL 52 CO -0.02 0.56 -0.42 0.58 0.02 0.00 0.00 177.57 178.29 2pru h VAL 53 N 0.00 1.31 -0.10 2.57 2.07 -0.48 0.34 116.25 121.95 2pru h VAL 53 Ca -0.01 -1.51 -0.20 0.00 0.82 0.00 0.00 66.70 65.80 2pru h VAL 53 Cb 1.05 1.75 0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2pru h VAL 53 CO 0.07 0.44 -0.73 -0.78 0.02 0.00 0.00 177.57 176.60 2pru h ASP 54 N 0.10 0.82 -0.40 0.57 1.82 -1.61 -3.05 116.42 114.66 2pru h ASP 54 Ca 0.01 -0.66 -0.07 0.00 -0.39 0.00 0.00 57.03 55.91 2pru h ASP 54 Cb 0.79 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 2pru h ASP 54 CO 0.06 1.35 -0.00 0.11 -1.61 0.00 0.00 179.24 179.15 2pru h LYS 55 N 0.35 0.80 -0.27 0.28 1.57 -0.80 -2.47 116.57 116.03 2pru h LYS 55 Ca -0.06 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.45 2pru h LYS 55 Cb 1.37 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 2pru h LYS 55 CO 0.15 0.81 -0.06 -0.24 -0.57 0.00 0.00 179.45 179.54 2pru h VAL 56 N 0.74 1.19 -0.51 0.50 3.04 -0.38 0.44 116.25 121.27 2pru h VAL 56 Ca 0.14 -0.81 -0.08 0.00 -1.01 0.00 0.00 66.70 64.95 2pru h VAL 56 Cb 0.46 1.06 -0.02 0.00 -2.01 0.00 0.00 31.29 30.77 2pru h VAL 56 CO 0.02 0.27 -0.01 0.24 -1.01 0.00 0.00 177.57 177.07 2pru h MET 57 N 0.40 0.87 0.47 4.17 2.86 -1.33 -0.56 114.93 121.82 2pru h MET 57 Ca 0.08 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.45 2pru h MET 57 Cb 0.36 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.93 2pru h MET 57 CO 0.02 0.88 -0.23 0.93 1.06 0.00 0.00 176.91 179.57 2pru h GLU 58 N 0.81 -0.61 -1.00 1.72 4.39 -1.15 -3.30 114.58 115.42 2pru h GLU 58 Ca 0.15 0.04 0.10 0.00 0.34 0.00 0.00 59.36 59.99 2pru h GLU 58 Cb 0.50 0.14 -0.08 0.00 -0.10 0.00 0.00 28.75 29.21 2pru h GLU 58 CO 0.02 -0.41 0.64 1.79 -1.16 0.00 0.00 179.01 179.89 2pru h THR 59 N -1.03 0.98 -0.93 1.13 1.35 -0.90 0.35 112.91 113.85 2pru h THR 59 Ca -0.06 -0.36 0.11 0.00 -0.55 0.00 0.00 66.41 65.54 2pru h THR 59 Cb 0.49 -0.17 -0.08 0.00 -1.73 0.00 0.00 68.15 66.65 2pru h THR 59 CO 0.11 0.19 0.57 0.25 -0.25 0.00 0.00 175.52 176.39 2pru h LEU 60 N 1.06 0.83 0.07 3.87 5.85 -1.22 0.60 115.31 126.37 2pru h LEU 60 Ca 0.48 0.05 -0.37 0.00 0.84 0.00 0.00 57.88 58.88 2pru h LEU 60 Cb 0.38 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 2pru h LEU 60 CO -0.23 0.45 -2.13 -0.67 -0.34 0.00 0.00 178.44 175.52 2pru n ASP 61 N -4.67 1.90 0.25 1.25 2.03 -0.70 -4.27 116.55 112.35 2pru n ASP 61 Ca 0.17 0.12 0.11 0.00 0.52 0.00 0.00 54.79 55.71 2pru n ASP 61 Cb 0.32 -0.59 0.68 0.00 -0.72 0.00 0.00 41.12 40.81 2pru n ASP 61 CO 0.00 0.00 0.00 -1.13 -1.92 0.00 0.00 177.20 174.15 2pru h ASN 62 N 0.04 0.00 -0.93 1.67 -0.73 -0.15 -2.27 115.58 113.21 2pru h ASN 62 Ca -0.46 0.00 0.15 0.00 1.87 0.00 0.00 56.30 57.85 2pru h ASN 62 Cb 2.00 0.00 -0.09 0.00 0.27 0.00 0.00 38.32 40.50 2pru h ASN 62 CO 0.03 0.13 0.54 -0.78 -0.37 0.00 0.00 177.43 176.99 2pru h ASP 63 N 0.00 0.73 0.00 1.15 1.82 -1.06 -3.46 116.42 115.60 2pru h ASP 63 Ca -0.00 0.08 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 2pru h ASP 63 Cb 0.33 -0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.28 2pru h ASP 63 CO 0.02 0.33 0.00 0.61 -1.61 0.00 0.00 179.24 178.59 2pru n GLY 64 N -1.33 2.55 0.31 -0.78 0.00 -0.86 -4.87 105.19 100.22 2pru n GLY 64 Ca 0.19 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -0.90 0.00 1.61 1.82 -1.89 -3.47 116.42 113.59 2pru h ASP 65 Ca 0.00 0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 2pru h ASP 65 Cb 0.00 0.38 0.00 0.00 0.68 0.00 0.00 39.33 40.39 2pru h ASP 65 CO 0.00 -0.34 0.00 0.61 -1.61 0.00 0.00 179.24 177.90 2pru n GLY 66 N -1.40 2.38 3.58 -0.78 0.00 -1.26 -5.07 105.19 102.65 2pru n GLY 66 Ca -0.03 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 2pru n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pru s GLU 67 N 0.00 2.47 0.02 1.61 2.02 -1.26 0.19 118.70 123.75 2pru s GLU 67 Ca 0.00 -0.78 0.06 0.00 0.02 0.00 0.00 54.97 54.27 2pru s GLU 67 Cb 0.00 -2.46 -0.02 0.00 0.10 0.00 0.00 34.13 31.75 2pru s GLU 67 CO 0.00 0.59 -0.18 0.00 0.02 0.00 0.00 175.26 175.68 2pru n ASP 69 N 2.15 -0.36 -0.43 0.00 5.68 -1.26 -2.24 116.55 120.09 2pru n ASP 69 Ca -0.16 -3.25 0.35 0.00 -0.50 0.00 0.00 54.79 51.23 2pru n ASP 69 Cb 0.54 1.60 0.65 0.00 -1.14 0.00 0.00 41.12 42.76 2pru n ASP 69 CO 0.00 0.00 0.00 2.19 -1.33 0.00 0.00 177.20 178.06 2pru h PHE 70 N 2.02 0.45 -0.38 2.11 -0.00 -1.99 0.72 116.94 119.87 2pru h PHE 70 Ca -0.26 0.02 -0.02 0.00 -0.00 0.00 0.00 57.97 57.71 2pru h PHE 70 Cb 1.24 -0.12 -0.02 0.00 -0.00 0.00 0.00 35.95 37.05 2pru h PHE 70 CO 0.00 -0.11 0.14 1.96 -0.00 0.00 0.00 178.31 180.30 2pru h GLN 71 N 0.13 0.57 -0.01 6.09 4.20 -1.98 -1.45 115.11 122.66 2pru h GLN 71 Ca 0.76 -0.11 -0.18 0.00 0.06 0.00 0.00 58.65 59.18 2pru h GLN 71 Cb 2.43 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 30.10 2pru h GLN 71 CO -0.31 0.56 -0.78 0.93 -0.67 0.00 0.00 178.83 178.55 2pru h GLU 72 N 0.47 0.15 -0.27 1.46 5.08 -1.29 -2.27 114.58 117.90 2pru h GLU 72 Ca 0.13 -0.14 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 2pru h GLU 72 Cb 0.21 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 2pru h GLU 72 CO -0.01 0.86 0.01 0.74 -1.00 0.00 0.00 179.01 179.61 2pru h PHE 73 N 0.09 0.01 -0.17 4.33 -1.00 -1.07 0.33 116.94 119.46 2pru h PHE 73 Ca -0.03 0.02 0.05 0.00 2.81 0.00 0.00 57.97 60.82 2pru h PHE 73 Cb 1.37 0.04 -0.06 0.00 3.61 0.00 0.00 35.95 40.91 2pru h PHE 73 CO 0.02 -0.03 -0.19 1.98 -1.61 0.00 0.00 178.31 178.48 2pru h MET 74 N 0.10 -0.21 0.12 1.51 1.85 -1.11 -0.27 114.93 116.91 2pru h MET 74 Ca 0.13 0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.23 2pru h MET 74 Cb 0.16 0.05 -0.00 0.00 0.43 0.00 0.00 31.60 32.24 2pru h MET 74 CO -0.21 -0.14 -0.08 0.00 -0.40 0.00 0.00 176.91 176.08 2pru h ALA 75 N 0.84 -0.18 -0.07 0.39 0.00 -0.79 -1.05 119.26 118.40 2pru h ALA 75 Ca 0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2pru h ALA 75 Cb 0.38 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 2pru h ALA 75 CO -0.30 -0.61 0.02 0.74 0.00 0.00 0.00 179.25 179.11 2pru h PHE 76 N -0.20 0.10 -0.51 0.00 0.04 -0.22 -1.13 116.94 115.03 2pru h PHE 76 Ca -0.01 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 2pru h PHE 76 Cb 0.17 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 2pru h PHE 76 CO -0.09 0.25 0.07 -0.24 -0.60 0.00 0.00 178.31 177.70 2pru h VAL 77 N -0.07 1.23 -0.29 -0.55 3.04 -1.00 -0.39 116.25 118.23 2pru h VAL 77 Ca 0.02 -0.89 -0.18 0.00 -1.01 0.00 0.00 66.70 64.64 2pru h VAL 77 Cb 0.19 0.77 -0.00 0.00 -2.01 0.00 0.00 31.29 30.24 2pru h VAL 77 CO -0.00 0.32 -0.52 0.00 -1.01 0.00 0.00 177.57 176.36 2pru h ALA 78 N 1.31 0.52 0.07 3.17 0.00 -1.08 -2.42 119.26 120.83 2pru h ALA 78 Ca 0.16 -0.50 -0.25 0.00 0.00 0.00 0.00 54.91 54.32 2pru h ALA 78 Cb 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2pru h ALA 78 CO 0.01 0.68 -1.12 0.00 0.00 0.00 0.00 179.25 178.82 2pru h MET 79 N 0.65 0.19 -0.49 0.00 -0.00 -0.84 0.38 114.93 114.82 2pru h MET 79 Ca 0.02 -0.30 -0.12 0.00 -0.00 0.00 0.00 59.70 59.30 2pru h MET 79 Cb 1.12 0.11 -0.02 0.00 -0.00 0.00 0.00 31.60 32.81 2pru h MET 79 CO 0.11 1.12 -0.16 -0.39 -0.00 0.00 0.00 176.91 177.60 2pru h VAL 80 N 0.06 1.27 0.00 -0.10 -1.51 -1.09 -2.28 116.25 112.59 2pru h VAL 80 Ca -0.09 -1.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.07 2pru h VAL 80 Cb 1.85 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 32.07 2pru h VAL 80 CO 0.17 0.45 -0.13 0.74 -1.23 0.00 0.00 177.57 177.58 2pru h THR 81 N 0.84 0.00 0.08 7.19 2.02 -1.50 -3.21 112.91 118.34 2pru h THR 81 Ca 0.12 -0.44 -0.32 0.00 0.77 0.00 0.00 66.41 66.54 2pru h THR 81 Cb 0.72 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2pru h THR 81 CO 0.06 0.00 -1.70 0.74 0.37 0.00 0.00 175.52 174.98 2pru h THR 82 N -0.44 0.93 -1.52 3.16 2.02 -1.12 -3.31 112.91 112.63 2pru h THR 82 Ca 0.00 -2.66 -0.30 0.00 0.77 0.00 0.00 66.41 64.23 2pru h THR 82 Cb 0.13 2.59 -0.06 0.00 -1.74 0.00 0.00 68.15 69.07 2pru h THR 82 CO 0.00 0.75 -0.34 0.00 0.37 0.00 0.00 175.52 176.30 2pru n ALA 83 N -2.72 -0.35 0.00 6.16 0.00 0.11 -3.95 120.51 119.76 2pru n ALA 83 Ca -0.20 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2pru n ALA 83 Cb 1.04 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 2.63 -3.53 0.00 8.25 -1.25 -4.79 115.22 116.53 2pru n HIS 85 Ca 0.00 -2.23 -0.29 0.00 -0.26 0.00 0.00 57.72 54.94 2pru n HIS 85 Cb 0.00 -1.24 -0.13 0.00 1.12 0.00 0.00 29.99 29.74 2pru n HIS 85 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2pru s GLU 86 N -3.48 0.51 -0.01 -0.41 0.41 -1.26 -4.81 118.70 109.65 2pru s GLU 86 Ca 0.54 -1.12 0.02 0.00 -0.41 0.00 0.00 54.97 53.99 2pru s GLU 86 Cb 0.42 -1.39 0.03 0.00 -1.78 0.00 0.00 34.13 31.41 2pru s GLU 86 CO -0.37 -1.13 0.80 1.19 -0.49 0.00 0.00 175.26 175.26 2pru n PHE 87 N 4.43 0.00 -0.03 1.61 3.72 -1.26 -4.61 117.46 121.32 2pru n PHE 87 Ca 0.05 -0.16 -0.08 0.00 -0.05 0.00 0.00 57.45 57.21 2pru n PHE 87 Cb 0.39 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.86 2pru n PHE 87 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2pru n PHE 88 N -0.20 0.00 0.00 1.38 7.35 -1.26 -3.82 117.46 120.91 2pru n PHE 88 Ca 0.02 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.64 2pru n PHE 88 Cb 0.55 -0.31 -0.12 0.00 0.35 0.00 0.00 39.48 39.95 2pru n PHE 88 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 2pru h GLU 89 N -0.41 0.00 0.00 -4.13 4.81 -1.93 -3.37 114.58 109.55 2pru h GLU 89 Ca -0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2pru h GLU 89 Cb 0.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.22 2pru h GLU 89 CO -0.09 0.50 0.00 1.58 -0.73 0.00 0.00 179.01 180.27 2pru n HIS 90 N -3.05 0.00 0.00 0.92 -0.00 -1.26 -4.92 115.22 106.91 2pru n HIS 90 Ca -0.13 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.05 2pru n HIS 90 Cb 0.99 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.86 2pru n HIS 90 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19