#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ijp n GLU 2 N 0.00 0.00 -0.18 0.03 4.71 -1.26 -4.32 120.64 119.62 1ijp n GLU 2 Ca 0.00 0.01 -0.09 0.00 -0.01 0.00 0.00 57.16 57.07 1ijp n GLU 2 Cb 0.00 -0.10 0.01 0.00 -1.01 0.00 0.00 31.44 30.34 1ijp n GLU 2 CO 0.00 0.00 0.00 -0.97 0.09 0.00 0.00 177.13 176.25 1ijp h ASN 3 N 0.00 0.78 -0.43 1.62 -0.73 -2.06 -2.99 115.58 111.78 1ijp h ASN 3 Ca 0.00 -0.24 0.00 0.00 1.87 0.00 0.00 56.30 57.93 1ijp h ASN 3 Cb 0.00 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.36 1ijp h ASN 3 CO 0.00 0.82 0.27 -0.07 -0.37 0.00 0.00 177.43 178.08 1ijp h LEU 4 N 0.71 0.50 -1.06 0.34 4.07 -2.00 -0.25 115.31 117.63 1ijp h LEU 4 Ca 0.16 -0.03 0.07 0.00 0.08 0.00 0.00 57.88 58.15 1ijp h LEU 4 Cb 0.35 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 41.90 1ijp h LEU 4 CO 0.00 0.38 0.63 -1.13 -1.08 0.00 0.00 178.44 177.24 1ijp h ASN 5 N 0.57 0.99 -0.32 -0.43 -1.24 -1.75 -1.64 115.58 111.77 1ijp h ASN 5 Ca 0.15 0.01 -0.13 0.00 0.71 0.00 0.00 56.30 57.04 1ijp h ASN 5 Cb -0.04 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.80 1ijp h ASN 5 CO -0.03 0.63 -0.29 0.24 -1.29 0.00 0.00 177.43 176.69 1ijp h MET 6 N 1.12 0.83 -0.46 6.67 2.86 -1.32 -1.90 114.93 122.74 1ijp h MET 6 Ca 0.42 -0.38 0.03 0.00 -2.06 0.00 0.00 59.70 57.71 1ijp h MET 6 Cb 0.18 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.79 1ijp h MET 6 CO -0.16 1.01 0.25 -0.44 1.06 0.00 0.00 176.91 178.63 1ijp h ASP 7 N 0.71 0.38 -0.40 1.22 3.32 -0.97 -2.58 116.42 118.10 1ijp h ASP 7 Ca 0.08 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1ijp h ASP 7 Cb 0.84 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 1ijp h ASP 7 CO 0.07 0.27 0.17 -0.07 -1.72 0.00 0.00 179.24 177.97 1ijp h LEU 8 N 0.50 0.54 0.34 1.55 3.38 -1.28 -1.82 115.31 118.52 1ijp h LEU 8 Ca 0.19 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1ijp h LEU 8 Cb 0.06 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1ijp h LEU 8 CO -0.11 0.54 -0.17 0.25 0.09 0.00 0.00 178.44 179.04 1ijp h LEU 9 N 0.50 -0.39 -0.65 1.67 5.85 -1.39 -2.67 115.31 118.23 1ijp h LEU 9 Ca 0.13 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1ijp h LEU 9 Cb 0.16 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.21 1ijp h LEU 9 CO -0.01 -0.10 -0.38 0.00 -0.34 0.00 0.00 178.44 177.61 1ijp n TYR 10 N -5.20 -0.28 -0.03 1.25 9.36 -0.97 -1.49 117.16 119.80 1ijp n TYR 10 Ca -0.10 0.81 -0.11 0.00 3.32 0.00 0.00 57.90 61.81 1ijp n TYR 10 Cb 0.26 -0.53 -0.06 0.00 -0.63 0.00 0.00 39.34 38.37 1ijp n TYR 10 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 1ijp h MET 11 N 0.00 0.18 -0.86 2.98 2.86 -1.32 -1.20 114.93 117.57 1ijp h MET 11 Ca 0.10 -0.04 0.12 0.00 -2.06 0.00 0.00 59.70 57.82 1ijp h MET 11 Cb 0.27 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 31.82 1ijp h MET 11 CO -0.61 0.32 0.49 0.00 1.06 0.00 0.00 176.91 178.17 1ijp h ALA 12 N 0.85 1.27 -0.11 6.32 0.00 -1.52 -0.66 119.26 125.41 1ijp h ALA 12 Ca 0.04 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1ijp h ALA 12 Cb 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ijp h ALA 12 CO -0.00 0.05 -0.02 0.00 0.00 0.00 0.00 179.25 179.28 1ijp h ALA 13 N 1.51 0.15 -0.89 0.00 0.00 -1.01 0.52 119.26 119.54 1ijp h ALA 13 Ca 0.44 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ijp h ALA 13 Cb 0.49 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1ijp h ALA 13 CO -0.29 -0.13 0.55 0.00 0.00 0.00 0.00 179.25 179.38 1ijp h ALA 14 N 0.71 1.31 -0.11 0.00 0.00 -1.26 0.21 119.26 120.11 1ijp h ALA 14 Ca 0.03 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ijp h ALA 14 Cb 0.41 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1ijp h ALA 14 CO 0.01 0.61 -0.07 0.28 0.00 0.00 0.00 179.25 180.08 1ijp h VAL 15 N 1.21 0.78 -0.76 0.00 2.07 -1.13 -2.52 116.25 115.89 1ijp h VAL 15 Ca 0.32 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.96 1ijp h VAL 15 Cb -0.08 0.78 -0.08 0.00 -1.52 0.00 0.00 31.29 30.38 1ijp h VAL 15 CO -0.06 0.00 0.37 0.24 0.02 0.00 0.00 177.57 178.13 1ijp h MET 16 N -0.08 0.55 -0.94 1.57 2.86 -0.77 -2.03 114.93 116.10 1ijp h MET 16 Ca 0.07 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.75 1ijp h MET 16 Cb 0.18 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.65 1ijp h MET 16 CO -0.16 0.37 0.61 0.00 1.06 0.00 0.00 176.91 178.79 1ijp h MET 17 N 0.57 1.01 0.00 1.72 3.00 -0.39 -3.07 114.93 117.77 1ijp h MET 17 Ca 0.40 -0.06 -0.12 0.00 0.00 0.00 0.00 59.70 59.92 1ijp h MET 17 Cb 0.52 -0.23 -0.02 0.00 0.00 0.00 0.00 31.60 31.87 1ijp h MET 17 CO -0.33 0.67 -0.61 0.78 0.00 0.00 0.00 176.91 177.42 1ijp h GLY 18 N 1.04 0.00 -0.26 -3.00 0.00 -1.34 -3.40 103.07 96.11 1ijp h GLY 18 Ca 0.41 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.90 1ijp h GLY 18 CO -0.17 0.00 0.00 -2.00 0.00 0.00 0.00 176.54 174.38 1ijp h LEU 19 N 0.00 -0.32 -1.91 3.11 6.46 -1.26 -2.55 115.31 118.83 1ijp h LEU 19 Ca -0.01 0.18 0.36 0.00 -0.12 0.00 0.00 57.88 58.29 1ijp h LEU 19 Cb 1.44 0.32 -0.06 0.00 -0.73 0.00 0.00 40.66 41.63 1ijp h LEU 19 CO 0.07 -0.16 0.90 -0.65 -0.62 0.00 0.00 178.44 177.98 1ijp h PRO 20 N 0.11 0.04 -0.11 5.25 0.11 -1.77 -1.45 132.00 134.17 1ijp h PRO 20 Ca 0.38 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.52 1ijp h PRO 20 Cb 0.66 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.75 1ijp h PRO 20 CO -0.62 0.03 0.09 0.00 -0.21 0.00 0.00 178.00 177.28 1ijp h ALA 21 N 1.39 1.99 0.00 -0.75 0.00 -1.75 -1.54 119.26 118.61 1ijp h ALA 21 Ca 0.62 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.51 1ijp h ALA 21 Cb 2.36 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 20.16 1ijp h ALA 21 CO -0.05 -0.14 -0.31 0.82 0.00 0.00 0.00 179.25 179.56 1ijp h ILE 22 N 0.00 0.08 0.36 0.00 1.08 -1.59 -3.41 117.51 114.03 1ijp h ILE 22 Ca 0.05 -1.08 -0.02 0.00 -0.39 0.00 0.00 64.86 63.43 1ijp h ILE 22 Cb 0.23 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.15 1ijp h ILE 22 CO -0.00 0.03 -0.17 1.23 -0.69 0.00 0.00 178.15 178.55 1ijp h GLY 23 N -1.00 -0.50 2.00 5.37 0.00 -1.19 -2.69 103.07 105.06 1ijp h GLY 23 Ca -0.01 0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 1ijp h GLY 23 CO -0.01 -0.18 -0.21 0.00 0.00 0.00 0.00 176.54 176.14 1ijp h ALA 24 N -1.64 1.05 -0.23 3.60 0.00 -1.51 -1.64 119.26 118.89 1ijp h ALA 24 Ca -0.05 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1ijp h ALA 24 Cb 0.37 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ijp h ALA 24 CO 0.08 0.27 -0.23 0.00 0.00 0.00 0.00 179.25 179.37 1ijp h ALA 25 N 1.79 0.33 -0.57 0.00 0.00 -1.53 -1.91 119.26 117.37 1ijp h ALA 25 Ca -0.00 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.58 1ijp h ALA 25 Cb 0.69 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1ijp h ALA 25 CO 0.03 0.29 0.37 0.82 0.00 0.00 0.00 179.25 180.76 1ijp h ILE 26 N 0.25 1.06 0.15 0.00 2.04 -1.50 -1.97 117.51 117.54 1ijp h ILE 26 Ca 0.04 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1ijp h ILE 26 Cb 0.78 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1ijp h ILE 26 CO 0.06 0.12 -0.20 1.23 0.00 0.00 0.00 178.15 179.35 1ijp h GLY 27 N 0.64 -1.00 0.29 5.37 0.00 -1.10 -1.71 103.07 105.57 1ijp h GLY 27 Ca 0.23 0.46 -0.01 0.00 0.00 0.00 0.00 47.33 48.00 1ijp h GLY 27 CO -0.06 -0.33 -0.17 -2.22 0.00 0.00 0.00 176.54 173.76 1ijp h ILE 28 N -0.36 0.00 0.50 2.60 1.08 -1.43 -1.88 117.51 118.01 1ijp h ILE 28 Ca -0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.44 1ijp h ILE 28 Cb 0.33 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.05 1ijp h ILE 28 CO -0.05 0.00 -0.50 1.23 -0.69 0.00 0.00 178.15 178.14 1ijp h GLY 29 N -0.43 -1.24 0.51 5.37 0.00 -1.49 0.14 103.07 105.93 1ijp h GLY 29 Ca -0.04 0.58 -0.17 0.00 0.00 0.00 0.00 47.33 47.71 1ijp h GLY 29 CO 0.05 -0.37 -0.77 -2.22 0.00 0.00 0.00 176.54 173.23 1ijp h ILE 30 N -1.00 1.47 -0.01 2.60 5.03 -1.58 -2.56 117.51 121.46 1ijp h ILE 30 Ca -0.06 -2.47 0.00 0.00 -0.12 0.00 0.00 64.86 62.21 1ijp h ILE 30 Cb 0.87 3.13 0.00 0.00 -3.03 0.00 0.00 36.82 37.79 1ijp h ILE 30 CO -0.07 0.68 -0.28 0.18 -0.68 0.00 0.00 178.15 177.98 1ijp n LEU 31 N -4.20 0.83 0.06 1.44 4.77 -0.70 -0.68 117.00 118.52 1ijp n LEU 31 Ca -0.15 -0.16 -0.20 0.00 -0.03 0.00 0.00 56.01 55.46 1ijp n LEU 31 Cb 0.76 -0.16 -0.13 0.00 -2.33 0.00 0.00 43.42 41.56 1ijp n LEU 31 CO 0.44 0.16 0.05 1.23 -1.33 0.00 0.00 177.39 177.94 1ijp h GLY 32 N 4.95 0.55 0.71 -0.72 0.00 0.02 -3.12 103.07 105.46 1ijp h GLY 32 Ca 0.00 -1.14 0.01 0.00 0.00 0.00 0.00 47.33 46.20 1ijp h GLY 32 CO 0.00 1.00 -0.20 -1.33 0.00 0.00 0.00 176.54 176.01 1ijp h GLY 33 N 0.01 -0.41 1.10 4.60 0.00 -1.39 -2.15 103.07 104.84 1ijp h GLY 33 Ca -0.14 0.23 0.05 0.00 0.00 0.00 0.00 47.33 47.47 1ijp h GLY 33 CO 0.18 -0.19 0.49 1.70 0.00 0.00 0.00 176.54 178.72 1ijp h LYS 34 N -0.41 0.82 -0.29 4.80 3.64 -1.12 -2.49 116.57 121.52 1ijp h LYS 34 Ca 0.01 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1ijp h LYS 34 Cb 0.41 -0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 31.97 1ijp h LYS 34 CO -0.08 0.54 -0.17 0.35 -2.27 0.00 0.00 179.45 177.82 1ijp h PHE 35 N 0.85 -0.43 -0.24 1.91 3.57 -1.47 -2.05 116.94 119.09 1ijp h PHE 35 Ca 0.30 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.73 1ijp h PHE 35 Cb 0.14 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1ijp h PHE 35 CO -0.00 -0.25 -0.31 1.25 -2.23 0.00 0.00 178.31 176.78 1ijp h LEU 36 N -0.14 0.49 -0.76 0.59 5.85 -1.17 -0.19 115.31 119.97 1ijp h LEU 36 Ca 0.15 -0.18 0.13 0.00 0.84 0.00 0.00 57.88 58.82 1ijp h LEU 36 Cb 0.37 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.18 1ijp h LEU 36 CO -0.38 0.78 0.34 -0.08 -0.34 0.00 0.00 178.44 178.77 1ijp h GLU 37 N 0.41 0.51 -0.43 1.25 4.22 -1.48 -1.80 114.58 117.26 1ijp h GLU 37 Ca 0.05 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.46 1ijp h GLU 37 Cb 0.75 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 1ijp h GLU 37 CO 0.06 0.34 0.28 0.78 -2.18 0.00 0.00 179.01 178.28 1ijp h GLY 38 N 0.53 0.60 1.16 1.92 0.00 -0.69 -2.94 103.07 103.64 1ijp h GLY 38 Ca 0.41 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 1ijp h GLY 38 CO -0.36 0.22 0.49 0.00 0.00 0.00 0.00 176.54 176.90 1ijp h ALA 39 N 1.15 1.32 -0.85 3.60 0.00 -0.95 -0.49 119.26 123.03 1ijp h ALA 39 Ca 0.16 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1ijp h ALA 39 Cb -0.05 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.36 1ijp h ALA 39 CO -0.03 0.58 0.56 0.00 0.00 0.00 0.00 179.25 180.35 1ijp h ALA 40 N 1.41 1.10 0.53 0.00 0.00 -1.36 -3.28 119.26 117.67 1ijp h ALA 40 Ca 0.30 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1ijp h ALA 40 Cb -0.05 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.43 1ijp h ALA 40 CO -0.06 0.43 -0.25 -0.09 0.00 0.00 0.00 179.25 179.28 1ijp h ARG 41 N 1.11 -0.68 -2.49 0.00 2.43 -1.37 -3.47 114.38 109.90 1ijp h ARG 41 Ca 0.33 0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.37 1ijp h ARG 41 Cb -0.06 0.16 -0.31 0.00 -0.42 0.00 0.00 29.97 29.34 1ijp h ARG 41 CO -0.09 -0.46 -0.48 -0.65 -1.51 0.00 0.00 179.97 176.78 1ijp s GLN 42 N -4.03 0.25 0.12 0.20 -0.21 -0.21 -5.08 119.66 110.71 1ijp s GLN 42 Ca -0.10 0.73 0.18 0.00 0.02 0.00 0.00 55.36 56.18 1ijp s GLN 42 Cb 0.01 -0.15 0.76 0.00 1.00 0.00 0.00 33.01 34.63 1ijp s GLN 42 CO 0.31 -0.40 1.55 -0.35 -2.12 0.00 0.00 175.29 174.28 1ijp n PRO 43 N 5.36 0.09 -3.05 2.91 -0.04 -1.24 -3.07 135.00 135.96 1ijp n PRO 43 Ca -0.06 0.35 -0.27 0.00 -0.04 0.00 0.00 63.50 63.47 1ijp n PRO 43 Cb 0.50 -1.67 -0.05 0.00 -0.04 0.00 0.00 33.50 32.24 1ijp n PRO 43 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ijp n ASP 44 N -1.83 4.40 -4.92 3.54 8.00 -1.26 -4.94 116.55 119.54 1ijp n ASP 44 Ca 0.03 -3.63 -0.28 0.00 0.71 0.00 0.00 54.79 51.61 1ijp n ASP 44 Cb 0.18 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 40.64 1ijp n ASP 44 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ijp s LEU 45 N -3.25 4.22 0.01 0.64 2.96 -1.18 -5.03 118.68 117.05 1ijp s LEU 45 Ca 0.46 0.48 -0.26 0.00 -0.22 0.00 0.00 54.13 54.59 1ijp s LEU 45 Cb 0.24 -3.24 -0.15 0.00 0.50 0.00 0.00 46.19 43.55 1ijp s LEU 45 CO -0.11 -0.04 1.13 0.40 -1.32 0.00 0.00 176.35 176.42 1ijp h ILE 46 N 1.64 0.24 -0.01 6.68 5.03 -1.99 -1.98 117.51 127.12 1ijp h ILE 46 Ca -0.47 -0.41 0.00 0.00 -0.12 0.00 0.00 64.86 63.86 1ijp h ILE 46 Cb 1.18 0.34 -0.00 0.00 -3.03 0.00 0.00 36.82 35.31 1ijp h ILE 46 CO 0.69 0.04 0.16 1.55 -0.68 0.00 0.00 178.15 179.91 1ijp h PRO 47 N -1.07 0.00 0.15 2.37 0.13 -1.99 -1.89 132.00 129.69 1ijp h PRO 47 Ca -0.08 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 1ijp h PRO 47 Cb 0.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.77 1ijp h PRO 47 CO 0.13 0.00 -0.07 1.25 -0.23 0.00 0.00 178.00 179.08 1ijp h LEU 48 N 0.00 -0.17 -1.74 1.56 6.46 -1.86 -2.33 115.31 117.23 1ijp h LEU 48 Ca 0.00 -0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.62 1ijp h LEU 48 Cb 0.33 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1ijp h LEU 48 CO -0.00 0.02 -0.07 -0.07 -0.62 0.00 0.00 178.44 177.70 1ijp h LEU 49 N -0.34 0.07 0.85 2.25 3.38 -0.77 -0.69 115.31 120.06 1ijp h LEU 49 Ca -0.02 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1ijp h LEU 49 Cb 0.27 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.01 1ijp h LEU 49 CO 0.03 0.15 -0.41 0.03 0.09 0.00 0.00 178.44 178.34 1ijp h ARG 50 N 0.08 -1.09 -0.42 1.13 2.47 -1.42 -2.58 114.38 112.54 1ijp h ARG 50 Ca 0.02 0.07 0.03 0.00 -1.26 0.00 0.00 59.98 58.84 1ijp h ARG 50 Cb 0.17 0.25 -0.03 0.00 -1.65 0.00 0.00 29.97 28.71 1ijp h ARG 50 CO 0.01 -0.72 0.22 1.79 0.56 0.00 0.00 179.97 181.83 1ijp h THR 51 N -1.23 1.00 -0.64 2.04 1.35 -1.35 -2.12 112.91 111.96 1ijp h THR 51 Ca -0.12 -0.16 0.01 0.00 -0.55 0.00 0.00 66.41 65.60 1ijp h THR 51 Cb 0.88 0.51 -0.03 0.00 -1.73 0.00 0.00 68.15 67.77 1ijp h THR 51 CO 0.19 0.08 0.42 -0.61 -0.25 0.00 0.00 175.52 175.35 1ijp h GLN 52 N 0.45 0.82 -0.71 4.72 -0.00 -1.26 -1.38 115.11 117.75 1ijp h GLN 52 Ca 0.18 -0.05 0.16 0.00 -0.00 0.00 0.00 58.65 58.93 1ijp h GLN 52 Cb 0.06 -0.18 -0.11 0.00 0.00 0.00 0.00 27.48 27.24 1ijp h GLN 52 CO -0.11 0.54 0.12 0.35 0.00 0.00 0.00 178.83 179.73 1ijp h PHE 53 N 0.84 0.16 0.00 3.99 3.57 -1.37 -2.46 116.94 121.68 1ijp h PHE 53 Ca 0.24 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.79 1ijp h PHE 53 Cb -0.06 0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1ijp h PHE 53 CO -0.04 -0.13 0.00 1.19 -2.23 0.00 0.00 178.31 177.11 1ijp n PHE 54 N -5.21 0.82 0.26 0.41 3.72 -0.80 -0.90 117.46 115.76 1ijp n PHE 54 Ca 0.13 0.29 -0.15 0.00 -0.05 0.00 0.00 57.45 57.66 1ijp n PHE 54 Cb 0.44 -0.97 -0.08 0.00 -0.94 0.00 0.00 39.48 37.94 1ijp n PHE 54 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1ijp h ILE 55 N 0.00 0.50 0.32 4.37 2.04 -0.79 -2.30 117.51 121.65 1ijp h ILE 55 Ca 0.00 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.60 1ijp h ILE 55 Cb 0.50 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1ijp h ILE 55 CO 0.00 0.04 -0.15 1.62 0.00 0.00 0.00 178.15 179.66 1ijp h VAL 56 N -0.79 0.61 -0.72 1.67 3.04 -1.42 -2.77 116.25 115.86 1ijp h VAL 56 Ca -0.07 -0.68 0.06 0.00 -1.01 0.00 0.00 66.70 65.00 1ijp h VAL 56 Cb 0.56 0.91 -0.04 0.00 -2.01 0.00 0.00 31.29 30.71 1ijp h VAL 56 CO 0.11 0.12 0.48 0.24 -1.01 0.00 0.00 177.57 177.50 1ijp h MET 57 N -0.85 0.76 0.00 4.17 2.86 -1.20 -1.31 114.93 119.36 1ijp h MET 57 Ca -0.04 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1ijp h MET 57 Cb 0.52 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1ijp h MET 57 CO 0.07 0.51 0.00 0.41 1.06 0.00 0.00 176.91 178.96 1ijp n GLY 58 N -1.44 -2.66 0.12 8.32 0.00 -0.87 -2.24 105.19 106.42 1ijp n GLY 58 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.18 1ijp n GLY 58 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ijp n LEU 59 N -1.35 0.30 0.02 0.99 7.94 -1.04 -0.59 117.00 123.26 1ijp n LEU 59 Ca 0.00 0.54 -0.06 0.00 -1.11 0.00 0.00 56.01 55.38 1ijp n LEU 59 Cb 0.00 -0.52 -0.11 0.00 0.53 0.00 0.00 43.42 43.31 1ijp n LEU 59 CO 0.00 -0.64 -0.28 0.58 -1.11 0.00 0.00 177.39 175.94 1ijp h VAL 60 N 0.00 0.97 -0.44 1.96 2.07 -1.33 -2.71 116.25 116.77 1ijp h VAL 60 Ca 0.00 -2.69 0.09 0.00 0.82 0.00 0.00 66.70 64.92 1ijp h VAL 60 Cb 0.42 2.44 -0.09 0.00 -1.52 0.00 0.00 31.29 32.53 1ijp h VAL 60 CO 0.00 0.55 -0.17 0.44 0.02 0.00 0.00 177.57 178.41 1ijp h ASP 61 N 0.00 -0.61 -0.11 0.57 3.32 -0.38 -2.60 116.42 116.60 1ijp h ASP 61 Ca -0.19 0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.03 1ijp h ASP 61 Cb 1.84 0.35 -0.02 0.00 0.22 0.00 0.00 39.33 41.72 1ijp h ASP 61 CO 0.08 -0.21 -0.16 0.00 -1.72 0.00 0.00 179.24 177.24 1ijp h ALA 62 N 1.27 -0.43 0.34 3.45 0.00 -1.54 -2.56 119.26 119.78 1ijp h ALA 62 Ca 0.21 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1ijp h ALA 62 Cb 0.41 0.83 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1ijp h ALA 62 CO -0.49 -0.51 -0.28 0.82 0.00 0.00 0.00 179.25 178.79 1ijp h ILE 63 N -0.11 0.41 0.29 0.00 1.08 -1.52 -1.99 117.51 115.67 1ijp h ILE 63 Ca 0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1ijp h ILE 63 Cb 0.17 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 34.33 1ijp h ILE 63 CO -0.17 0.00 -0.14 0.00 -0.69 0.00 0.00 178.15 177.15 1ijp h ALA 64 N -0.07 -0.39 -0.31 1.87 0.00 -1.57 -2.86 119.26 115.93 1ijp h ALA 64 Ca -0.02 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1ijp h ALA 64 Cb 0.56 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1ijp h ALA 64 CO -0.02 -0.64 -0.30 0.52 0.00 0.00 0.00 179.25 178.81 1ijp h MET 65 N -0.56 0.66 0.08 0.00 2.86 -1.55 -2.63 114.93 113.79 1ijp h MET 65 Ca -0.04 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.30 1ijp h MET 65 Cb 0.41 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1ijp h MET 65 CO 0.07 0.88 -0.04 0.97 1.06 0.00 0.00 176.91 179.85 1ijp h ILE 66 N 0.56 1.09 -0.26 -1.22 -0.00 -1.44 -2.01 117.51 114.22 1ijp h ILE 66 Ca 0.07 -0.57 -0.10 0.00 -0.00 0.00 0.00 64.86 64.26 1ijp h ILE 66 Cb 0.80 1.46 -0.01 0.00 -0.00 0.00 0.00 36.82 39.08 1ijp h ILE 66 CO 0.07 0.14 -0.21 0.00 -0.00 0.00 0.00 178.15 178.15 1ijp h ALA 67 N 0.54 0.38 -0.06 0.18 0.00 -1.59 -0.90 119.26 117.81 1ijp h ALA 67 Ca -0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1ijp h ALA 67 Cb 0.31 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ijp h ALA 67 CO 0.02 0.33 0.01 0.28 0.00 0.00 0.00 179.25 179.89 1ijp h VAL 68 N 0.33 1.19 -0.19 0.00 2.07 -1.61 -2.52 116.25 115.52 1ijp h VAL 68 Ca 0.05 -0.58 -0.21 0.00 0.82 0.00 0.00 66.70 66.78 1ijp h VAL 68 Cb 0.75 1.47 0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1ijp h VAL 68 CO 0.05 0.16 -0.70 1.23 0.02 0.00 0.00 177.57 178.33 1ijp h GLY 69 N -0.12 0.87 0.97 2.17 0.00 -1.44 -2.03 103.07 103.49 1ijp h GLY 69 Ca 0.02 -1.16 -0.04 0.00 0.00 0.00 0.00 47.33 46.15 1ijp h GLY 69 CO 0.00 1.03 0.13 -2.00 0.00 0.00 0.00 176.54 175.70 1ijp h LEU 70 N 0.56 0.71 -0.75 3.11 7.12 -1.31 -1.77 115.31 122.98 1ijp h LEU 70 Ca -0.03 -0.22 0.12 0.00 0.13 0.00 0.00 57.88 57.88 1ijp h LEU 70 Cb 1.32 -0.19 -0.13 0.00 -0.53 0.00 0.00 40.66 41.13 1ijp h LEU 70 CO 0.15 0.75 -0.38 1.23 -0.13 0.00 0.00 178.44 180.05 1ijp h GLY 71 N 0.64 -0.12 0.67 3.75 0.00 -1.50 -2.14 103.07 104.37 1ijp h GLY 71 Ca 0.15 0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.96 1ijp h GLY 71 CO -0.00 -0.19 -0.02 -2.00 0.00 0.00 0.00 176.54 174.33 1ijp h LEU 72 N -0.11 0.13 -0.97 3.11 5.85 -1.32 -1.92 115.31 120.08 1ijp h LEU 72 Ca 0.26 -0.40 0.24 0.00 0.84 0.00 0.00 57.88 58.82 1ijp h LEU 72 Cb 0.57 -0.04 -0.18 0.00 0.37 0.00 0.00 40.66 41.38 1ijp h LEU 72 CO -0.80 0.50 -0.08 0.22 -0.34 0.00 0.00 178.44 177.93 1ijp h TYR 73 N -0.24 -0.23 0.03 1.25 3.20 -1.35 -1.92 116.97 117.70 1ijp h TYR 73 Ca 0.01 0.08 -0.25 0.00 3.14 0.00 0.00 58.73 61.71 1ijp h TYR 73 Cb 0.45 0.26 0.02 0.00 1.54 0.00 0.00 36.73 38.99 1ijp h TYR 73 CO 0.06 -0.42 -1.01 0.28 -1.64 0.00 0.00 178.16 175.44 1ijp h VAL 74 N 0.01 1.31 -0.21 1.81 2.07 -1.39 -2.93 116.25 116.91 1ijp h VAL 74 Ca 0.54 -2.26 0.04 0.00 0.82 0.00 0.00 66.70 65.84 1ijp h VAL 74 Cb 1.00 2.49 -0.04 0.00 -1.52 0.00 0.00 31.29 33.22 1ijp h VAL 74 CO -0.94 0.69 -0.04 -0.03 0.02 0.00 0.00 177.57 177.27 1ijp h MET 75 N 0.28 0.01 0.12 1.57 1.85 -1.09 -0.97 114.93 116.70 1ijp h MET 75 Ca -0.13 -0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 58.95 1ijp h MET 75 Cb 1.68 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.70 1ijp h MET 75 CO 0.20 0.01 -0.06 0.35 -0.40 0.00 0.00 176.91 177.00 1ijp h PHE 76 N 0.01 -0.16 0.03 1.39 3.57 -1.49 -3.25 116.94 117.05 1ijp h PHE 76 Ca 0.10 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1ijp h PHE 76 Cb 0.15 0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.94 1ijp h PHE 76 CO -0.21 0.23 -0.01 0.00 -2.23 0.00 0.00 178.31 176.08 1ijp h ALA 77 N -0.55 -0.04 0.19 2.41 0.00 -1.67 -3.40 119.26 116.20 1ijp h ALA 77 Ca -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1ijp h ALA 77 Cb 0.45 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ijp h ALA 77 CO 0.03 -0.15 -0.09 0.28 0.00 0.00 0.00 179.25 179.31 1ijp h VAL 78 N -0.78 0.01 0.00 0.00 2.07 -1.62 -3.51 116.25 112.42 1ijp h VAL 78 Ca -0.00 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1ijp h VAL 78 Cb 0.69 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1ijp h VAL 78 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60