#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 0.00 3.17 1.02 -1.26 -4.90 120.64 118.67 1ijp n GLU 2 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ijp n GLU 2 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1ijp n GLU 2 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1ijp n ASN 3 N -1.84 0.00 0.15 1.62 5.15 -1.26 -4.73 115.26 114.34 1ijp n ASN 3 Ca 0.00 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.84 1ijp n ASN 3 Cb 0.00 0.22 -0.08 0.00 -0.53 0.00 0.00 39.78 39.39 1ijp n ASN 3 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1ijp h LEU 4 N 0.00 -0.28 -1.52 1.20 6.46 -1.99 -1.38 115.31 117.81 1ijp h LEU 4 Ca 0.00 -0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.70 1ijp h LEU 4 Cb 0.00 0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 39.97 1ijp h LEU 4 CO 0.00 -0.10 0.35 -1.13 -0.62 0.00 0.00 178.44 176.94 1ijp h ASN 5 N -0.44 0.56 -0.67 1.25 -0.73 -1.96 -1.64 115.58 111.94 1ijp h ASN 5 Ca -0.03 -0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.09 1ijp h ASN 5 Cb 0.33 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 38.76 1ijp h ASN 5 CO 0.05 0.39 0.30 0.24 -0.37 0.00 0.00 177.43 178.04 1ijp h MET 6 N 0.65 0.98 -0.89 6.67 2.86 -1.84 -2.12 114.93 121.24 1ijp h MET 6 Ca 0.20 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1ijp h MET 6 Cb 0.01 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.46 1ijp h MET 6 CO -0.05 0.80 0.49 0.22 1.06 0.00 0.00 176.91 179.43 1ijp h ASP 7 N 0.94 1.12 -0.35 1.22 3.58 -0.99 -1.43 116.42 120.50 1ijp h ASP 7 Ca 0.23 -0.10 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 1ijp h ASP 7 Cb 0.16 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 1ijp h ASP 7 CO -0.02 0.90 0.21 -0.07 -2.88 0.00 0.00 179.24 177.38 1ijp h LEU 8 N 1.25 0.41 0.07 2.28 3.38 -1.27 -1.45 115.31 119.99 1ijp h LEU 8 Ca 0.31 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1ijp h LEU 8 Cb 0.03 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1ijp h LEU 8 CO -0.05 0.33 -0.04 0.25 0.09 0.00 0.00 178.44 179.03 1ijp h LEU 9 N 0.45 -0.08 -0.68 1.67 6.46 -1.35 -2.71 115.31 119.07 1ijp h LEU 9 Ca 0.12 -0.35 0.06 0.00 -0.12 0.00 0.00 57.88 57.60 1ijp h LEU 9 Cb -0.01 0.02 -0.08 0.00 -0.73 0.00 0.00 40.66 39.86 1ijp h LEU 9 CO -0.02 0.31 -0.40 0.00 -0.62 0.00 0.00 178.44 177.71 1ijp n TYR 10 N -4.95 -0.30 -0.05 1.25 9.36 -0.54 -1.70 117.16 120.22 1ijp n TYR 10 Ca -0.08 0.85 -0.12 0.00 3.32 0.00 0.00 57.90 61.86 1ijp n TYR 10 Cb 0.22 -0.55 -0.07 0.00 -0.63 0.00 0.00 39.34 38.32 1ijp n TYR 10 CO 0.00 0.00 0.00 1.98 0.22 0.00 0.00 176.86 179.06 1ijp h MET 11 N 0.00 0.32 -0.88 2.98 4.05 -1.21 -0.14 114.93 120.05 1ijp h MET 11 Ca 0.11 -0.14 0.17 0.00 -0.28 0.00 0.00 59.70 59.56 1ijp h MET 11 Cb 0.28 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.00 1ijp h MET 11 CO -0.64 0.64 0.57 0.00 0.23 0.00 0.00 176.91 177.72 1ijp h ALA 12 N 0.67 2.01 -0.04 0.39 0.00 -1.54 -0.46 119.26 120.29 1ijp h ALA 12 Ca 0.03 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1ijp h ALA 12 Cb 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ijp h ALA 12 CO 0.02 -0.27 -0.11 0.00 0.00 0.00 0.00 179.25 178.90 1ijp h ALA 13 N 1.61 0.07 -0.81 0.00 0.00 -0.96 0.33 119.26 119.49 1ijp h ALA 13 Ca 0.45 -0.35 0.15 0.00 0.00 0.00 0.00 54.91 55.16 1ijp h ALA 13 Cb 0.92 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 1ijp h ALA 13 CO -0.19 -0.04 0.38 0.00 0.00 0.00 0.00 179.25 179.40 1ijp h ALA 14 N 0.43 1.20 -0.29 0.00 0.00 -1.04 0.44 119.26 120.01 1ijp h ALA 14 Ca -0.00 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1ijp h ALA 14 Cb 0.73 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1ijp h ALA 14 CO 0.02 -0.15 0.11 0.28 0.00 0.00 0.00 179.25 179.51 1ijp h VAL 15 N 0.54 0.93 -1.00 0.00 2.07 -1.14 -2.39 116.25 115.27 1ijp h VAL 15 Ca 0.45 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.91 1ijp h VAL 15 Cb 0.66 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1ijp h VAL 15 CO -0.38 0.04 0.66 -0.03 0.02 0.00 0.00 177.57 177.88 1ijp h MET 16 N 0.24 1.28 0.00 1.57 -1.53 -0.36 -1.72 114.93 114.41 1ijp h MET 16 Ca 0.13 -0.08 -0.05 0.00 -3.44 0.00 0.00 59.70 56.26 1ijp h MET 16 Cb 0.09 -0.29 -0.01 0.00 -0.55 0.00 0.00 31.60 30.84 1ijp h MET 16 CO -0.12 0.85 -0.25 0.00 0.14 0.00 0.00 176.91 177.52 1ijp h MET 17 N 1.32 0.00 -0.19 0.39 -0.00 -0.91 -3.26 114.93 112.28 1ijp h MET 17 Ca 0.38 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.92 1ijp h MET 17 Cb -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.51 1ijp h MET 17 CO -0.10 0.25 -0.56 0.78 -0.00 0.00 0.00 176.91 177.28 1ijp h GLY 18 N 1.30 0.63 -0.72 -3.00 0.00 -1.02 -3.38 103.07 96.88 1ijp h GLY 18 Ca -0.00 -0.75 0.13 0.00 0.00 0.00 0.00 47.33 46.70 1ijp h GLY 18 CO 0.03 0.67 -0.38 -2.00 0.00 0.00 0.00 176.54 174.87 1ijp h LEU 19 N 0.44 -1.36 -1.78 3.11 5.85 -1.37 -2.73 115.31 117.48 1ijp h LEU 19 Ca 0.01 0.27 0.11 0.00 0.84 0.00 0.00 57.88 59.10 1ijp h LEU 19 Cb 1.12 0.68 -0.03 0.00 0.37 0.00 0.00 40.66 42.80 1ijp h LEU 19 CO 0.11 -0.30 0.36 1.55 -0.34 0.00 0.00 178.44 179.82 1ijp h PRO 20 N -0.09 0.24 -0.31 5.25 0.13 -1.74 -0.76 132.00 134.73 1ijp h PRO 20 Ca 0.28 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.42 1ijp h PRO 20 Cb 0.57 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.63 1ijp h PRO 20 CO -0.84 0.16 0.21 0.00 -0.23 0.00 0.00 178.00 177.30 1ijp h ALA 21 N 1.74 1.91 0.00 -0.56 0.00 -1.69 -1.92 119.26 118.74 1ijp h ALA 21 Ca 0.25 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1ijp h ALA 21 Cb 0.64 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ijp h ALA 21 CO -0.05 0.05 -0.28 0.82 0.00 0.00 0.00 179.25 179.79 1ijp h ILE 22 N 0.31 0.31 0.29 0.00 1.08 -1.63 -3.41 117.51 114.45 1ijp h ILE 22 Ca 0.13 -1.28 -0.01 0.00 -0.39 0.00 0.00 64.86 63.31 1ijp h ILE 22 Cb 0.13 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 34.51 1ijp h ILE 22 CO -0.03 0.10 -0.14 1.23 -0.69 0.00 0.00 178.15 178.63 1ijp h GLY 23 N -1.00 -0.40 2.00 5.37 0.00 -1.03 -2.79 103.07 105.23 1ijp h GLY 23 Ca -0.03 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1ijp h GLY 23 CO -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 176.54 176.37 1ijp n ALA 24 N -2.24 2.31 -0.03 3.60 0.00 -0.76 -1.37 120.51 122.01 1ijp n ALA 24 Ca -0.05 -0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.20 1ijp n ALA 24 Cb 0.15 -1.47 -0.07 0.00 0.00 0.00 0.00 19.45 18.06 1ijp n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ijp h ALA 25 N 2.82 0.13 -0.33 0.00 0.00 -1.57 -2.40 119.26 117.92 1ijp h ALA 25 Ca 0.00 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.81 1ijp h ALA 25 Cb 0.58 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ijp h ALA 25 CO 0.00 -0.16 0.24 0.82 0.00 0.00 0.00 179.25 180.15 1ijp h ILE 26 N -0.12 0.82 0.28 0.00 2.04 -1.48 -2.65 117.51 116.40 1ijp h ILE 26 Ca 0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 1ijp h ILE 26 Cb 0.38 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1ijp h ILE 26 CO 0.01 0.00 -0.48 1.23 0.00 0.00 0.00 178.15 178.90 1ijp h GLY 27 N 0.00 -1.20 -0.00 5.37 0.00 -1.00 -1.50 103.07 104.74 1ijp h GLY 27 Ca 0.15 0.61 0.00 0.00 0.00 0.00 0.00 47.33 48.09 1ijp h GLY 27 CO -0.00 -0.32 -0.01 -2.22 0.00 0.00 0.00 176.54 173.99 1ijp h ILE 28 N -0.81 0.00 0.27 2.60 1.08 -1.40 -2.22 117.51 117.03 1ijp h ILE 28 Ca -0.03 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1ijp h ILE 28 Cb 0.76 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.49 1ijp h ILE 28 CO -0.17 0.00 -0.24 1.23 -0.69 0.00 0.00 178.15 178.28 1ijp h GLY 29 N -0.01 -0.55 0.30 5.37 0.00 -1.53 0.85 103.07 107.50 1ijp h GLY 29 Ca 0.00 0.27 -0.18 0.00 0.00 0.00 0.00 47.33 47.42 1ijp h GLY 29 CO -0.01 -0.22 -0.93 -2.22 0.00 0.00 0.00 176.54 173.16 1ijp h ILE 30 N -0.53 1.27 -0.27 2.60 5.03 -1.43 -2.00 117.51 122.17 1ijp h ILE 30 Ca -0.01 -2.35 -0.13 0.00 -0.12 0.00 0.00 64.86 62.25 1ijp h ILE 30 Cb 0.48 2.85 -0.00 0.00 -3.03 0.00 0.00 36.82 37.11 1ijp h ILE 30 CO -0.03 0.59 -0.33 -0.07 -0.68 0.00 0.00 178.15 177.63 1ijp h LEU 31 N -0.66 0.75 -1.04 1.44 3.38 -1.34 -1.65 115.31 116.20 1ijp h LEU 31 Ca -0.21 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 57.20 1ijp h LEU 31 Cb 1.44 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 1ijp h LEU 31 CO -0.01 1.09 0.02 1.23 0.09 0.00 0.00 178.44 180.86 1ijp h GLY 32 N 0.42 0.76 0.81 0.83 0.00 -0.54 -1.54 103.07 103.81 1ijp h GLY 32 Ca 0.03 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 1ijp h GLY 32 CO 0.08 0.44 -0.21 -1.33 0.00 0.00 0.00 176.54 175.52 1ijp h GLY 33 N 0.93 -0.50 0.78 4.60 0.00 -1.36 -2.02 103.07 105.50 1ijp h GLY 33 Ca 0.14 0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.78 1ijp h GLY 33 CO 0.01 -0.21 0.61 1.70 0.00 0.00 0.00 176.54 178.66 1ijp h LYS 34 N -0.49 1.04 -0.70 4.80 3.11 -1.36 -2.50 116.57 120.48 1ijp h LYS 34 Ca -0.02 -0.06 0.06 0.00 -2.81 0.00 0.00 60.65 57.82 1ijp h LYS 34 Cb 0.43 -0.24 -0.06 0.00 -1.00 0.00 0.00 32.23 31.37 1ijp h LYS 34 CO -0.01 0.69 0.40 0.35 -2.81 0.00 0.00 179.45 178.06 1ijp h PHE 35 N 1.07 0.73 -0.46 1.91 3.57 -1.25 -2.32 116.94 120.19 1ijp h PHE 35 Ca 0.41 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.82 1ijp h PHE 35 Cb 0.22 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1ijp h PHE 35 CO -0.00 0.35 -0.19 1.25 -2.23 0.00 0.00 178.31 177.49 1ijp h LEU 36 N 0.73 0.92 -1.08 0.59 7.12 -1.17 -0.81 115.31 121.61 1ijp h LEU 36 Ca 0.31 -0.33 0.14 0.00 0.13 0.00 0.00 57.88 58.13 1ijp h LEU 36 Cb 0.19 -0.25 -0.08 0.00 -0.53 0.00 0.00 40.66 39.98 1ijp h LEU 36 CO -0.18 1.09 0.62 -0.08 -0.13 0.00 0.00 178.44 179.75 1ijp h GLU 37 N 0.80 0.86 0.00 1.25 4.81 -1.38 -0.46 114.58 120.45 1ijp h GLU 37 Ca 0.11 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1ijp h GLU 37 Cb 0.73 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1ijp h GLU 37 CO 0.06 0.57 -0.29 0.78 -0.73 0.00 0.00 179.01 179.39 1ijp h GLY 38 N 0.88 0.00 1.52 1.92 0.00 -1.23 -3.20 103.07 102.97 1ijp h GLY 38 Ca 0.50 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.59 1ijp h GLY 38 CO -0.27 0.00 -0.98 0.00 0.00 0.00 0.00 176.54 175.30 1ijp h ALA 39 N 1.71 0.32 -0.97 3.60 0.00 -0.02 -1.68 119.26 122.21 1ijp h ALA 39 Ca -0.00 -0.72 0.09 0.00 0.00 0.00 0.00 54.91 54.28 1ijp h ALA 39 Cb 0.53 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 1ijp h ALA 39 CO 0.04 0.82 0.62 0.00 0.00 0.00 0.00 179.25 180.73 1ijp h ALA 40 N 0.70 1.51 0.51 0.00 0.00 -1.25 -3.10 119.26 117.64 1ijp h ALA 40 Ca -0.09 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1ijp h ALA 40 Cb 1.62 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 19.17 1ijp h ALA 40 CO 0.17 0.29 -0.25 -0.09 0.00 0.00 0.00 179.25 179.38 1ijp h ARG 41 N 1.03 -0.67 -2.17 0.00 9.65 -1.54 -3.47 114.38 117.21 1ijp h ARG 41 Ca 0.45 0.05 0.01 0.00 -1.10 0.00 0.00 59.98 59.39 1ijp h ARG 41 Cb 0.35 0.15 -0.22 0.00 -1.39 0.00 0.00 29.97 28.86 1ijp h ARG 41 CO -0.21 -0.36 -0.16 -1.14 2.80 0.00 0.00 179.97 180.90 1ijp s GLN 42 N -4.70 0.54 0.00 0.20 -0.44 -0.63 -5.07 119.66 109.55 1ijp s GLN 42 Ca -0.14 1.24 0.15 0.00 -2.50 0.00 0.00 55.36 54.11 1ijp s GLN 42 Cb 0.02 0.48 0.77 0.00 -1.64 0.00 0.00 33.01 32.64 1ijp s GLN 42 CO 0.48 -0.19 1.40 -0.35 0.50 0.00 0.00 175.29 177.13 1ijp n PRO 43 N 5.02 0.25 -3.16 1.67 -0.04 -1.17 -2.66 135.00 134.91 1ijp n PRO 43 Ca -0.15 0.13 -0.24 0.00 -0.04 0.00 0.00 63.50 63.20 1ijp n PRO 43 Cb 0.52 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.43 1ijp n PRO 43 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ijp n ASP 44 N -1.25 2.65 -4.95 3.54 2.03 -1.26 -4.96 116.55 112.35 1ijp n ASP 44 Ca 0.08 -3.29 -0.23 0.00 0.52 0.00 0.00 54.79 51.86 1ijp n ASP 44 Cb 0.11 -0.61 0.03 0.00 -0.72 0.00 0.00 41.12 39.92 1ijp n ASP 44 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1ijp s LEU 45 N -2.59 3.39 0.00 -2.67 2.96 -1.09 -4.99 118.68 113.69 1ijp s LEU 45 Ca 0.42 0.31 -0.19 0.00 -0.22 0.00 0.00 54.13 54.45 1ijp s LEU 45 Cb 0.25 -3.16 -0.11 0.00 0.50 0.00 0.00 46.19 43.67 1ijp s LEU 45 CO -0.09 -0.97 0.95 0.40 -1.32 0.00 0.00 176.35 175.32 1ijp h ILE 46 N 0.10 0.00 -0.10 6.68 5.03 -1.98 -2.42 117.51 124.83 1ijp h ILE 46 Ca -0.45 -0.26 0.03 0.00 -0.12 0.00 0.00 64.86 64.06 1ijp h ILE 46 Cb 1.27 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 35.06 1ijp h ILE 46 CO 0.57 0.00 0.45 1.55 -0.68 0.00 0.00 178.15 180.04 1ijp h PRO 47 N -0.96 0.00 0.72 2.37 0.13 -1.98 -1.78 132.00 130.51 1ijp h PRO 47 Ca -0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.02 1ijp h PRO 47 Cb 0.53 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.67 1ijp h PRO 47 CO 0.12 0.00 -0.34 1.25 -0.23 0.00 0.00 178.00 178.79 1ijp h LEU 48 N 0.00 -0.82 -1.61 1.56 7.12 -1.83 -2.47 115.31 117.26 1ijp h LEU 48 Ca 0.05 0.03 -0.04 0.00 0.13 0.00 0.00 57.88 58.04 1ijp h LEU 48 Cb 0.95 0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 41.28 1ijp h LEU 48 CO -0.00 -0.44 -0.21 -0.07 -0.13 0.00 0.00 178.44 177.59 1ijp h LEU 49 N -1.26 0.00 0.47 2.25 3.38 -1.19 -0.41 115.31 118.55 1ijp h LEU 49 Ca -0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1ijp h LEU 49 Cb 0.74 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1ijp h LEU 49 CO 0.16 0.21 -0.46 0.03 0.09 0.00 0.00 178.44 178.48 1ijp h ARG 50 N 0.00 -0.90 0.00 1.13 2.47 -1.45 -2.75 114.38 112.88 1ijp h ARG 50 Ca -0.00 0.06 -0.10 0.00 -1.26 0.00 0.00 59.98 58.67 1ijp h ARG 50 Cb 0.41 0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.92 1ijp h ARG 50 CO 0.03 -0.60 -0.50 1.15 0.56 0.00 0.00 179.97 180.61 1ijp h THR 51 N -0.93 1.19 -0.10 2.04 2.02 -1.17 -1.99 112.91 113.97 1ijp h THR 51 Ca -0.05 -1.81 0.04 0.00 0.77 0.00 0.00 66.41 65.36 1ijp h THR 51 Cb 0.82 2.02 -0.05 0.00 -1.74 0.00 0.00 68.15 69.20 1ijp h THR 51 CO -0.06 0.49 -0.19 -0.61 0.37 0.00 0.00 175.52 175.52 1ijp h GLN 52 N 0.00 -0.24 -0.94 6.66 4.15 -1.18 -2.48 115.11 121.08 1ijp h GLN 52 Ca -0.00 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.55 1ijp h GLN 52 Cb 0.98 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.65 1ijp h GLN 52 CO 0.06 -0.16 0.60 0.74 -1.93 0.00 0.00 178.83 178.15 1ijp h PHE 53 N -0.25 1.01 -0.70 3.99 -1.00 -1.25 -2.57 116.94 116.17 1ijp h PHE 53 Ca 0.09 0.03 0.09 0.00 2.81 0.00 0.00 57.97 60.98 1ijp h PHE 53 Cb 0.38 -0.32 -0.07 0.00 3.61 0.00 0.00 35.95 39.55 1ijp h PHE 53 CO -0.28 0.42 0.35 0.74 -1.61 0.00 0.00 178.31 177.93 1ijp h PHE 54 N 0.90 0.63 -0.56 -0.55 0.04 -1.22 -2.58 116.94 113.59 1ijp h PHE 54 Ca 0.46 0.03 0.04 0.00 2.80 0.00 0.00 57.97 61.29 1ijp h PHE 54 Cb 0.50 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.43 1ijp h PHE 54 CO -0.00 0.24 0.32 0.82 -0.60 0.00 0.00 178.31 179.08 1ijp h ILE 55 N 0.60 1.01 0.89 -0.55 2.04 -1.07 -2.65 117.51 117.79 1ijp h ILE 55 Ca 0.34 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.94 1ijp h ILE 55 Cb 0.34 0.34 0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1ijp h ILE 55 CO -0.26 0.11 -0.45 0.58 0.00 0.00 0.00 178.15 178.14 1ijp h VAL 56 N 0.62 0.09 -0.54 1.67 2.07 -1.23 -0.89 116.25 118.05 1ijp h VAL 56 Ca 0.24 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.78 1ijp h VAL 56 Cb 0.08 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 1ijp h VAL 56 CO -0.13 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.81 1ijp h MET 57 N -1.22 0.64 0.01 1.57 -0.00 -1.56 -0.51 114.93 113.87 1ijp h MET 57 Ca -0.12 -0.04 -0.00 0.00 -0.00 0.00 0.00 59.70 59.54 1ijp h MET 57 Cb 0.94 -0.14 0.00 0.00 -0.00 0.00 0.00 31.60 32.40 1ijp h MET 57 CO 0.19 0.42 -0.01 0.78 -0.00 0.00 0.00 176.91 178.29 1ijp h GLY 58 N 0.66 -0.02 0.95 -3.00 0.00 -1.47 -2.61 103.07 97.58 1ijp h GLY 58 Ca 0.21 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1ijp h GLY 58 CO -0.05 -0.01 0.38 -0.10 0.00 0.00 0.00 176.54 176.76 1ijp n LEU 59 N -2.05 0.24 0.13 3.11 7.94 -0.34 -0.47 117.00 125.56 1ijp n LEU 59 Ca -0.00 0.47 -0.21 0.00 -1.11 0.00 0.00 56.01 55.15 1ijp n LEU 59 Cb 0.01 -0.38 -0.14 0.00 0.53 0.00 0.00 43.42 43.43 1ijp n LEU 59 CO 0.00 -0.55 -0.14 0.58 -1.11 0.00 0.00 177.39 176.17 1ijp h VAL 60 N 0.00 1.35 -0.58 1.96 2.07 -1.08 -2.65 116.25 117.32 1ijp h VAL 60 Ca 0.00 -2.76 0.11 0.00 0.82 0.00 0.00 66.70 64.87 1ijp h VAL 60 Cb 0.75 2.94 -0.09 0.00 -1.52 0.00 0.00 31.29 33.37 1ijp h VAL 60 CO 0.00 0.82 0.04 0.44 0.02 0.00 0.00 177.57 178.90 1ijp h ASP 61 N 0.15 -0.16 -0.12 0.57 3.32 -0.38 -2.53 116.42 117.27 1ijp h ASP 61 Ca -0.21 0.13 0.01 0.00 0.02 0.00 0.00 57.03 56.99 1ijp h ASP 61 Cb 2.06 0.21 -0.02 0.00 0.22 0.00 0.00 39.33 41.80 1ijp h ASP 61 CO 0.25 -0.06 -0.13 0.00 -1.72 0.00 0.00 179.24 177.58 1ijp h ALA 62 N 1.50 -0.36 0.65 3.45 0.00 -1.53 -2.80 119.26 120.18 1ijp h ALA 62 Ca 0.30 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1ijp h ALA 62 Cb 0.47 0.86 0.01 0.00 0.00 0.00 0.00 17.79 19.12 1ijp h ALA 62 CO -0.45 -0.42 -0.31 0.82 0.00 0.00 0.00 179.25 178.88 1ijp h ILE 63 N -0.08 0.23 0.16 0.00 2.04 -1.47 -2.62 117.51 115.77 1ijp h ILE 63 Ca 0.02 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1ijp h ILE 63 Cb 0.13 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 1ijp h ILE 63 CO -0.15 0.02 -0.07 0.00 0.00 0.00 0.00 178.15 177.95 1ijp h ALA 64 N -0.88 -0.21 -0.26 1.87 0.00 -1.60 -2.84 119.26 115.33 1ijp h ALA 64 Ca -0.09 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1ijp h ALA 64 Cb 0.71 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1ijp h ALA 64 CO 0.15 -0.54 -0.36 0.52 0.00 0.00 0.00 179.25 179.02 1ijp h MET 65 N -0.37 0.59 0.01 0.00 2.86 -1.64 -2.60 114.93 113.79 1ijp h MET 65 Ca -0.02 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.33 1ijp h MET 65 Cb 0.29 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1ijp h MET 65 CO 0.04 0.87 -0.01 0.97 1.06 0.00 0.00 176.91 179.84 1ijp h ILE 66 N 0.50 1.22 -0.60 -1.22 -0.00 -1.54 -2.58 117.51 113.28 1ijp h ILE 66 Ca 0.05 -0.70 -0.09 0.00 -0.00 0.00 0.00 64.86 64.13 1ijp h ILE 66 Cb 0.86 1.69 -0.02 0.00 -0.00 0.00 0.00 36.82 39.35 1ijp h ILE 66 CO 0.07 0.18 0.04 0.00 -0.00 0.00 0.00 178.15 178.44 1ijp h ALA 67 N 0.66 0.80 0.14 0.18 0.00 -1.58 -1.18 119.26 118.28 1ijp h ALA 67 Ca -0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1ijp h ALA 67 Cb 0.31 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ijp h ALA 67 CO 0.00 0.61 -0.07 0.28 0.00 0.00 0.00 179.25 180.07 1ijp h VAL 68 N 0.93 0.97 -0.39 0.00 2.07 -1.59 -2.57 116.25 115.68 1ijp h VAL 68 Ca 0.18 -0.45 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 1ijp h VAL 68 Cb 0.50 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1ijp h VAL 68 CO 0.02 0.11 -0.17 1.23 0.02 0.00 0.00 177.57 178.78 1ijp h GLY 69 N -0.40 0.88 0.98 2.17 0.00 -1.52 -2.57 103.07 102.61 1ijp h GLY 69 Ca -0.02 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.50 1ijp h GLY 69 CO 0.03 0.71 0.23 -2.00 0.00 0.00 0.00 176.54 175.51 1ijp h LEU 70 N 0.62 0.75 -0.78 3.11 5.85 -1.35 -1.63 115.31 121.86 1ijp h LEU 70 Ca 0.09 -0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.75 1ijp h LEU 70 Cb 0.72 -0.19 -0.12 0.00 0.37 0.00 0.00 40.66 41.44 1ijp h LEU 70 CO 0.05 0.70 -0.50 1.23 -0.34 0.00 0.00 178.44 179.59 1ijp h GLY 71 N 0.74 -0.56 0.53 3.75 0.00 -1.50 -2.40 103.07 103.63 1ijp h GLY 71 Ca 0.18 0.66 -0.03 0.00 0.00 0.00 0.00 47.33 48.14 1ijp h GLY 71 CO -0.02 -0.09 -0.08 -2.00 0.00 0.00 0.00 176.54 174.35 1ijp h LEU 72 N -0.13 0.15 -0.99 3.11 5.85 -1.35 -2.24 115.31 119.71 1ijp h LEU 72 Ca 0.19 -0.57 0.25 0.00 0.84 0.00 0.00 57.88 58.59 1ijp h LEU 72 Cb 0.52 -0.04 -0.19 0.00 0.37 0.00 0.00 40.66 41.32 1ijp h LEU 72 CO -0.82 0.69 -0.07 0.22 -0.34 0.00 0.00 178.44 178.11 1ijp h TYR 73 N -0.39 -0.22 0.06 1.25 3.20 -1.39 -2.33 116.97 117.14 1ijp h TYR 73 Ca 0.00 0.08 -0.28 0.00 3.14 0.00 0.00 58.73 61.67 1ijp h TYR 73 Cb 0.66 0.26 0.02 0.00 1.54 0.00 0.00 36.73 39.21 1ijp h TYR 73 CO 0.12 -0.43 -1.13 0.28 -1.64 0.00 0.00 178.16 175.36 1ijp h VAL 74 N 0.00 1.30 -0.31 1.81 2.07 -1.46 -3.17 116.25 116.49 1ijp h VAL 74 Ca 0.56 -2.40 0.03 0.00 0.82 0.00 0.00 66.70 65.71 1ijp h VAL 74 Cb 1.06 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 33.34 1ijp h VAL 74 CO -0.96 0.73 0.14 0.24 0.02 0.00 0.00 177.57 177.74 1ijp h MET 75 N 0.31 0.29 0.03 1.57 2.86 -1.16 -0.92 114.93 117.90 1ijp h MET 75 Ca -0.15 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1ijp h MET 75 Cb 1.79 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.38 1ijp h MET 75 CO 0.21 0.19 -0.01 0.35 1.06 0.00 0.00 176.91 178.71 1ijp h PHE 76 N 0.30 -0.03 -0.02 -0.22 3.57 -1.56 -3.35 116.94 115.63 1ijp h PHE 76 Ca 0.13 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 1ijp h PHE 76 Cb 0.07 0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1ijp h PHE 76 CO -0.11 -0.02 -0.24 0.00 -2.23 0.00 0.00 178.31 175.71 1ijp h ALA 77 N -1.78 0.06 0.38 2.41 0.00 -1.75 -3.38 119.26 115.20 1ijp h ALA 77 Ca -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1ijp h ALA 77 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ijp h ALA 77 CO 0.01 0.08 -0.18 0.28 0.00 0.00 0.00 179.25 179.43 1ijp h VAL 78 N -0.41 0.34 -0.01 0.00 2.07 -1.66 -3.51 116.25 113.07 1ijp h VAL 78 Ca -0.02 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1ijp h VAL 78 Cb 0.94 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1ijp h VAL 78 CO 0.05 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.71