#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 -1.76 0.26 0.03 4.07 -1.26 -4.80 120.64 117.18 1ijp n GLU 2 Ca 0.00 1.70 0.12 0.00 -0.06 0.00 0.00 57.16 58.92 1ijp n GLU 2 Cb 0.00 -4.42 0.73 0.00 -0.06 0.00 0.00 31.44 27.69 1ijp n GLU 2 CO 0.00 0.00 0.00 -0.97 -0.06 0.00 0.00 177.13 176.10 1ijp h ASN 3 N 1.48 0.00 -0.21 4.31 -1.24 -2.06 -2.79 115.58 115.07 1ijp h ASN 3 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1ijp h ASN 3 Cb 0.64 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.67 1ijp h ASN 3 CO 0.13 0.11 0.13 0.25 -1.29 0.00 0.00 177.43 176.76 1ijp h LEU 4 N 0.00 0.26 -1.30 0.34 5.85 -2.00 -1.22 115.31 117.24 1ijp h LEU 4 Ca -0.00 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.73 1ijp h LEU 4 Cb 0.27 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 1ijp h LEU 4 CO 0.01 0.24 0.51 -1.13 -0.34 0.00 0.00 178.44 177.73 1ijp h ASN 5 N 0.26 0.75 -0.51 1.25 -1.24 -1.86 -1.91 115.58 112.32 1ijp h ASN 5 Ca 0.08 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.03 1ijp h ASN 5 Cb 0.03 -0.16 -0.02 0.00 0.73 0.00 0.00 38.32 38.90 1ijp h ASN 5 CO -0.01 0.48 0.06 0.24 -1.29 0.00 0.00 177.43 176.91 1ijp h MET 6 N 0.85 0.85 -0.63 6.67 2.86 -1.32 -1.59 114.93 122.62 1ijp h MET 6 Ca 0.34 -0.24 0.04 0.00 -2.06 0.00 0.00 59.70 57.78 1ijp h MET 6 Cb 0.23 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.75 1ijp h MET 6 CO -0.12 0.85 0.36 -0.44 1.06 0.00 0.00 176.91 178.62 1ijp h ASP 7 N 0.72 0.55 -0.39 1.22 3.32 -1.14 -2.65 116.42 118.05 1ijp h ASP 7 Ca 0.15 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 1ijp h ASP 7 Cb 0.42 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1ijp h ASP 7 CO 0.01 0.37 0.07 -0.07 -1.72 0.00 0.00 179.24 177.91 1ijp h LEU 8 N 0.68 0.61 0.03 1.55 3.38 -1.28 -2.12 115.31 118.17 1ijp h LEU 8 Ca 0.27 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ijp h LEU 8 Cb 0.11 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1ijp h LEU 8 CO -0.15 0.71 -0.02 0.25 0.09 0.00 0.00 178.44 179.32 1ijp h LEU 9 N 0.49 -0.04 -0.49 1.67 6.46 -1.34 -2.61 115.31 119.46 1ijp h LEU 9 Ca 0.12 -0.40 0.04 0.00 -0.12 0.00 0.00 57.88 57.53 1ijp h LEU 9 Cb 0.35 0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.23 1ijp h LEU 9 CO 0.01 0.38 -0.29 0.00 -0.62 0.00 0.00 178.44 177.92 1ijp n TYR 10 N -4.91 -0.21 -0.05 1.25 9.36 -1.00 -1.53 117.16 120.06 1ijp n TYR 10 Ca -0.08 0.61 -0.13 0.00 3.32 0.00 0.00 57.90 61.61 1ijp n TYR 10 Cb 0.23 -0.49 -0.07 0.00 -0.63 0.00 0.00 39.34 38.37 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 0.30 -0.97 2.98 4.05 -1.37 -1.35 114.93 118.57 1ijp h MET 11 Ca 0.08 -0.15 0.17 0.00 -0.28 0.00 0.00 59.70 59.52 1ijp h MET 11 Cb 0.20 0.00 -0.10 0.00 -0.80 0.00 0.00 31.60 30.90 1ijp h MET 11 CO -0.46 0.68 0.57 0.00 0.23 0.00 0.00 176.91 177.94 1ijp h ALA 12 N 0.62 1.57 -0.02 0.39 0.00 -1.56 -0.83 119.26 119.44 1ijp h ALA 12 Ca 0.02 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ijp h ALA 12 Cb 0.61 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ijp h ALA 12 CO 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 179.25 179.24 1ijp h ALA 13 N 1.62 0.02 -0.96 0.00 0.00 -0.91 -0.07 119.26 118.95 1ijp h ALA 13 Ca 0.55 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.33 1ijp h ALA 13 Cb 0.81 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1ijp h ALA 13 CO -0.37 -0.30 0.63 0.00 0.00 0.00 0.00 179.25 179.21 1ijp h ALA 14 N 0.66 1.42 -0.09 0.00 0.00 -1.28 0.22 119.26 120.18 1ijp h ALA 14 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1ijp h ALA 14 Cb 0.36 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ijp h ALA 14 CO 0.00 0.46 -0.03 0.28 0.00 0.00 0.00 179.25 179.95 1ijp h VAL 15 N 1.16 0.88 -0.64 0.00 2.07 -1.16 -2.22 116.25 116.33 1ijp h VAL 15 Ca 0.40 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.93 1ijp h VAL 15 Cb 0.11 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1ijp h VAL 15 CO -0.14 0.00 0.43 -0.03 0.02 0.00 0.00 177.57 177.84 1ijp h MET 16 N -0.02 0.84 -0.11 1.57 -1.53 -0.84 -2.44 114.93 112.39 1ijp h MET 16 Ca 0.05 -0.05 -0.02 0.00 -3.44 0.00 0.00 59.70 56.24 1ijp h MET 16 Cb 0.09 -0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 30.95 1ijp h MET 16 CO -0.11 0.55 -0.03 0.00 0.14 0.00 0.00 176.91 177.46 1ijp h MET 17 N 0.86 0.16 0.04 0.39 3.00 -0.45 -3.18 114.93 115.75 1ijp h MET 17 Ca 0.24 -0.02 -0.22 0.00 0.00 0.00 0.00 59.70 59.69 1ijp h MET 17 Cb -0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 31.60 31.47 1ijp h MET 17 CO -0.05 0.21 -1.02 0.78 0.00 0.00 0.00 176.91 176.83 1ijp h GLY 18 N 0.43 0.16 -0.90 -3.00 0.00 -1.18 -3.39 103.07 95.19 1ijp h GLY 18 Ca 0.04 -0.36 0.24 0.00 0.00 0.00 0.00 47.33 47.25 1ijp h GLY 18 CO 0.01 0.32 -0.01 -0.10 0.00 0.00 0.00 176.54 176.75 1ijp n LEU 19 N -3.52 -0.13 -0.37 3.11 7.94 -0.94 -1.96 117.00 121.13 1ijp n LEU 19 Ca -0.04 1.54 0.34 0.00 -1.11 0.00 0.00 56.01 56.74 1ijp n LEU 19 Cb 0.91 -0.55 0.69 0.00 0.53 0.00 0.00 43.42 45.00 1ijp n LEU 19 CO 0.49 -1.55 1.31 1.55 -1.11 0.00 0.00 177.39 178.08 1ijp h PRO 20 N 0.00 0.10 -0.23 1.96 0.13 -1.76 -0.47 132.00 131.73 1ijp h PRO 20 Ca 0.53 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.70 1ijp h PRO 20 Cb 1.07 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 1ijp h PRO 20 CO -0.86 0.07 0.16 0.00 -0.23 0.00 0.00 178.00 177.14 1ijp h ALA 21 N 1.44 2.06 0.00 -0.56 0.00 -1.69 -1.98 119.26 118.53 1ijp h ALA 21 Ca 0.63 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.52 1ijp h ALA 21 Cb 2.25 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 20.02 1ijp h ALA 21 CO -0.12 -0.11 -0.26 0.82 0.00 0.00 0.00 179.25 179.58 1ijp h ILE 22 N 0.12 0.10 0.57 0.00 2.04 -1.57 -3.41 117.51 115.36 1ijp h ILE 22 Ca 0.10 -1.09 -0.03 0.00 1.00 0.00 0.00 64.86 64.85 1ijp h ILE 22 Cb 0.26 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1ijp h ILE 22 CO -0.01 0.03 -0.27 1.23 0.00 0.00 0.00 178.15 179.13 1ijp h GLY 23 N -1.00 -0.79 2.00 5.37 0.00 -1.06 -2.66 103.07 104.92 1ijp h GLY 23 Ca -0.01 0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.56 1ijp h GLY 23 CO -0.01 -0.29 -0.23 0.00 0.00 0.00 0.00 176.54 176.01 1ijp h ALA 24 N -1.43 1.04 -0.20 3.60 0.00 -1.55 -1.43 119.26 119.28 1ijp h ALA 24 Ca -0.08 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1ijp h ALA 24 Cb 0.58 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1ijp h ALA 24 CO 0.13 0.29 -0.07 0.00 0.00 0.00 0.00 179.25 179.59 1ijp h ALA 25 N 1.77 0.28 -0.55 0.00 0.00 -1.61 -1.78 119.26 117.37 1ijp h ALA 25 Ca -0.00 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1ijp h ALA 25 Cb 0.72 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1ijp h ALA 25 CO 0.03 0.09 0.36 0.82 0.00 0.00 0.00 179.25 180.55 1ijp h ILE 26 N 0.12 1.10 0.16 0.00 2.04 -1.50 -2.24 117.51 117.20 1ijp h ILE 26 Ca 0.05 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1ijp h ILE 26 Cb 0.54 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1ijp h ILE 26 CO 0.02 0.13 -0.12 1.23 0.00 0.00 0.00 178.15 179.42 1ijp h GLY 27 N 0.69 -0.63 0.00 5.37 0.00 -1.10 -1.74 103.07 105.66 1ijp h GLY 27 Ca 0.21 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1ijp h GLY 27 CO -0.05 -0.22 0.00 1.39 0.00 0.00 0.00 176.54 177.66 1ijp n ILE 28 N -2.94 0.00 0.28 2.60 2.08 -0.68 -1.93 119.36 118.77 1ijp n ILE 28 Ca -0.03 1.32 -0.16 0.00 0.56 0.00 0.00 62.75 64.44 1ijp n ILE 28 Cb 0.11 -1.93 -0.08 0.00 -0.75 0.00 0.00 39.64 36.99 1ijp n ILE 28 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1ijp h GLY 29 N 0.00 -0.72 0.63 7.39 0.00 -1.52 0.70 103.07 109.55 1ijp h GLY 29 Ca 0.00 0.27 -0.24 0.00 0.00 0.00 0.00 47.33 47.36 1ijp h GLY 29 CO 0.00 -0.26 -1.14 -2.22 0.00 0.00 0.00 176.54 172.92 1ijp h ILE 30 N -0.79 1.25 -0.01 2.60 5.03 -1.58 -2.19 117.51 121.83 1ijp h ILE 30 Ca -0.07 -2.47 -0.22 0.00 -0.12 0.00 0.00 64.86 61.98 1ijp h ILE 30 Cb 0.57 2.94 0.00 0.00 -3.03 0.00 0.00 36.82 37.30 1ijp h ILE 30 CO 0.12 0.71 -0.92 -0.07 -0.68 0.00 0.00 178.15 177.30 1ijp h LEU 31 N -0.33 0.52 -1.10 1.44 3.38 -0.71 -0.74 115.31 117.76 1ijp h LEU 31 Ca -0.23 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.30 1ijp h LEU 31 Cb 1.71 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 42.28 1ijp h LEU 31 CO 0.10 1.20 0.25 1.23 0.09 0.00 0.00 178.44 181.31 1ijp h GLY 32 N 1.27 0.95 0.78 0.83 0.00 -0.16 -0.62 103.07 106.12 1ijp h GLY 32 Ca -0.07 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1ijp h GLY 32 CO 0.16 0.45 -0.19 -1.33 0.00 0.00 0.00 176.54 175.63 1ijp h GLY 33 N 0.98 -0.42 0.08 4.60 0.00 -1.37 -2.17 103.07 104.76 1ijp h GLY 33 Ca 0.21 0.22 0.14 0.00 0.00 0.00 0.00 47.33 47.90 1ijp h GLY 33 CO -0.02 -0.19 0.24 1.70 0.00 0.00 0.00 176.54 178.27 1ijp h LYS 34 N -0.42 0.35 -0.63 4.80 3.64 -1.15 -2.16 116.57 121.00 1ijp h LYS 34 Ca -0.00 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 1ijp h LYS 34 Cb 0.40 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 1ijp h LYS 34 CO -0.04 0.23 0.34 0.35 -2.27 0.00 0.00 179.45 178.06 1ijp h PHE 35 N 0.36 0.63 -0.53 1.91 3.57 -1.07 -2.44 116.94 119.37 1ijp h PHE 35 Ca 0.40 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.83 1ijp h PHE 35 Cb 0.64 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 1ijp h PHE 35 CO -0.21 0.30 -0.06 1.25 -2.23 0.00 0.00 178.31 177.37 1ijp h LEU 36 N 0.64 0.94 -1.11 0.59 7.12 -1.21 -1.31 115.31 120.98 1ijp h LEU 36 Ca 0.28 -0.28 0.16 0.00 0.13 0.00 0.00 57.88 58.17 1ijp h LEU 36 Cb 0.17 -0.25 -0.09 0.00 -0.53 0.00 0.00 40.66 39.95 1ijp h LEU 36 CO -0.17 1.03 0.61 -0.08 -0.13 0.00 0.00 178.44 179.70 1ijp h GLU 37 N 0.86 0.76 -0.79 1.25 4.22 -1.26 -0.59 114.58 119.04 1ijp h GLU 37 Ca 0.15 -0.05 -0.04 0.00 0.08 0.00 0.00 59.36 59.50 1ijp h GLU 37 Cb 0.59 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 1ijp h GLU 37 CO 0.04 0.50 0.32 0.78 -2.18 0.00 0.00 179.01 178.47 1ijp h GLY 38 N 0.78 1.26 1.90 1.92 0.00 -1.25 -3.33 103.07 104.35 1ijp h GLY 38 Ca 0.53 -0.68 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 1ijp h GLY 38 CO -0.30 0.64 -0.49 0.00 0.00 0.00 0.00 176.54 176.39 1ijp h ALA 39 N 1.20 1.10 -0.55 3.60 0.00 -0.04 -1.91 119.26 122.66 1ijp h ALA 39 Ca 0.27 -0.46 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1ijp h ALA 39 Cb 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1ijp h ALA 39 CO -0.02 0.63 0.37 0.00 0.00 0.00 0.00 179.25 180.23 1ijp h ALA 40 N 1.41 1.85 0.00 0.00 0.00 -1.28 -3.24 119.26 118.01 1ijp h ALA 40 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ijp h ALA 40 Cb 0.90 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ijp h ALA 40 CO 0.07 0.06 -0.09 -0.09 0.00 0.00 0.00 179.25 179.20 1ijp h ARG 41 N 0.52 0.00 -3.12 0.00 1.12 -1.63 -3.48 114.38 107.79 1ijp h ARG 41 Ca 0.24 0.00 -0.31 0.00 -1.11 0.00 0.00 59.98 58.80 1ijp h ARG 41 Cb 0.27 0.00 -0.36 0.00 -0.01 0.00 0.00 29.97 29.87 1ijp h ARG 41 CO -0.07 0.10 -0.66 -1.14 -3.11 0.00 0.00 179.97 175.09 1ijp s GLN 42 N -1.71 0.01 0.00 0.20 -0.44 -0.73 -5.06 119.66 111.93 1ijp s GLN 42 Ca -0.04 0.52 0.13 0.00 -2.50 0.00 0.00 55.36 53.47 1ijp s GLN 42 Cb 0.00 -0.34 0.66 0.00 -1.64 0.00 0.00 33.01 31.68 1ijp s GLN 42 CO 0.09 -0.32 1.34 -0.35 0.50 0.00 0.00 175.29 176.55 1ijp n PRO 43 N 5.32 0.18 -3.06 1.67 -0.04 -1.22 -2.85 135.00 135.00 1ijp n PRO 43 Ca -0.04 0.16 -0.25 0.00 -0.04 0.00 0.00 63.50 63.34 1ijp n PRO 43 Cb 0.50 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 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 -1.29 3.34 -4.83 3.54 8.00 -1.26 -4.97 116.55 119.09 1ijp n ASP 44 Ca 0.06 -3.46 -0.32 0.00 0.71 0.00 0.00 54.79 51.78 1ijp n ASP 44 Cb 0.10 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 1ijp n ASP 44 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ijp s LEU 45 N -3.04 3.44 -0.00 0.64 1.43 -1.13 -5.00 118.68 115.02 1ijp s LEU 45 Ca 0.45 1.65 -0.24 0.00 -1.03 0.00 0.00 54.13 54.97 1ijp s LEU 45 Cb 0.28 -4.51 -0.14 0.00 0.03 0.00 0.00 46.19 41.85 1ijp s LEU 45 CO -0.11 -1.00 1.06 0.40 0.23 0.00 0.00 176.35 176.93 1ijp h ILE 46 N 0.28 0.34 -0.06 -0.59 5.03 -1.99 -2.40 117.51 118.12 1ijp h ILE 46 Ca -0.46 -0.53 0.02 0.00 -0.12 0.00 0.00 64.86 63.76 1ijp h ILE 46 Cb 1.20 0.51 -0.00 0.00 -3.03 0.00 0.00 36.82 35.50 1ijp h ILE 46 CO 0.59 0.06 0.24 1.55 -0.68 0.00 0.00 178.15 179.92 1ijp h PRO 47 N -1.01 0.00 0.18 2.37 0.13 -1.99 -2.26 132.00 129.43 1ijp h PRO 47 Ca -0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 1ijp h PRO 47 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1ijp h PRO 47 CO 0.10 0.00 -0.09 1.25 -0.23 0.00 0.00 178.00 179.03 1ijp h LEU 48 N 0.00 -0.21 -1.60 1.56 6.46 -1.89 -1.96 115.31 117.66 1ijp h LEU 48 Ca 0.03 -0.22 -0.04 0.00 -0.12 0.00 0.00 57.88 57.53 1ijp h LEU 48 Cb 0.51 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 1ijp h LEU 48 CO -0.00 0.11 -0.21 -0.07 -0.62 0.00 0.00 178.44 177.65 1ijp h LEU 49 N -0.55 0.00 -0.01 2.25 3.38 -1.13 0.12 115.31 119.37 1ijp h LEU 49 Ca -0.03 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1ijp h LEU 49 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1ijp h LEU 49 CO 0.04 0.21 -0.09 0.03 0.09 0.00 0.00 178.44 178.72 1ijp h ARG 50 N 0.00 -0.15 0.00 1.13 2.47 -1.50 -2.68 114.38 113.65 1ijp h ARG 50 Ca -0.00 0.01 -0.20 0.00 -1.26 0.00 0.00 59.98 58.53 1ijp h ARG 50 Cb 0.39 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 1ijp h ARG 50 CO 0.03 -0.10 -0.88 1.15 0.56 0.00 0.00 179.97 180.73 1ijp h THR 51 N -0.16 1.49 -0.25 2.04 2.02 -0.85 -1.21 112.91 116.00 1ijp h THR 51 Ca 0.04 -2.60 0.05 0.00 0.77 0.00 0.00 66.41 64.67 1ijp h THR 51 Cb 0.20 2.45 -0.05 0.00 -1.74 0.00 0.00 68.15 69.01 1ijp h THR 51 CO -0.10 0.76 -0.10 -0.61 0.37 0.00 0.00 175.52 175.84 1ijp h GLN 52 N 0.12 -0.05 -0.77 6.66 -0.00 -0.91 -1.47 115.11 118.69 1ijp h GLN 52 Ca -0.04 0.00 0.17 0.00 -0.00 0.00 0.00 58.65 58.78 1ijp h GLN 52 Cb 1.50 0.01 -0.11 0.00 0.00 0.00 0.00 27.48 28.88 1ijp h GLN 52 CO 0.13 -0.03 0.22 0.35 0.00 0.00 0.00 178.83 179.50 1ijp h PHE 53 N -0.05 0.36 -0.23 3.99 3.57 -1.41 -2.67 116.94 120.49 1ijp h PHE 53 Ca 0.13 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 1ijp h PHE 53 Cb 0.24 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1ijp h PHE 53 CO -0.28 -0.06 -0.02 0.74 -2.23 0.00 0.00 178.31 176.45 1ijp h PHE 54 N 0.31 0.35 0.11 0.41 0.04 -0.87 -2.54 116.94 114.76 1ijp h PHE 54 Ca 0.44 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.19 1ijp h PHE 54 Cb 0.76 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 1ijp h PHE 54 CO -0.23 0.38 -0.12 0.82 -0.60 0.00 0.00 178.31 178.56 1ijp h ILE 55 N 0.34 0.74 0.63 -0.55 2.04 -1.02 -2.75 117.51 116.94 1ijp h ILE 55 Ca 0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 1ijp h ILE 55 Cb 0.27 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1ijp h ILE 55 CO 0.01 0.00 -0.44 0.58 0.00 0.00 0.00 178.15 178.29 1ijp h VAL 56 N -0.25 0.11 -0.15 1.67 2.07 -1.18 -2.36 116.25 116.17 1ijp h VAL 56 Ca 0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.57 1ijp h VAL 56 Cb 0.25 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 1ijp h VAL 56 CO -0.04 0.00 0.20 0.00 0.02 0.00 0.00 177.57 177.75 1ijp h MET 57 N -1.03 0.00 0.00 1.57 -0.00 -1.61 -1.11 114.93 112.75 1ijp h MET 57 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.62 1ijp h MET 57 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.45 1ijp h MET 57 CO 0.04 0.00 0.00 0.41 -0.00 0.00 0.00 176.91 177.36 1ijp n GLY 58 N -1.35 -2.34 0.00 -3.00 0.00 -0.97 -2.32 105.19 95.21 1ijp n GLY 58 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ijp n GLY 58 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ijp n LEU 59 N -0.39 0.00 0.15 0.99 -0.00 -0.93 -0.45 117.00 116.37 1ijp n LEU 59 Ca 0.00 0.13 -0.25 0.00 -0.00 0.00 0.00 56.01 55.89 1ijp n LEU 59 Cb 0.00 -0.13 -0.16 0.00 -0.00 0.00 0.00 43.42 43.13 1ijp n LEU 59 CO 0.00 -0.13 -0.25 0.58 -0.00 0.00 0.00 177.39 177.59 1ijp h VAL 60 N 0.00 1.27 -0.77 1.47 2.07 -1.31 -2.65 116.25 116.32 1ijp h VAL 60 Ca 0.00 -2.69 0.16 0.00 0.82 0.00 0.00 66.70 64.99 1ijp h VAL 60 Cb 0.02 3.04 -0.11 0.00 -1.52 0.00 0.00 31.29 32.72 1ijp h VAL 60 CO 0.00 0.81 0.27 -0.78 0.02 0.00 0.00 177.57 177.89 1ijp h ASP 61 N 0.14 0.18 0.00 0.57 3.58 -0.35 -2.42 116.42 118.13 1ijp h ASP 61 Ca -0.26 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1ijp h ASP 61 Cb 2.17 0.14 0.00 0.00 1.72 0.00 0.00 39.33 43.36 1ijp h ASP 61 CO 0.27 0.03 0.00 0.00 -2.88 0.00 0.00 179.24 176.67 1ijp n ALA 62 N -2.57 -0.17 0.32 -0.78 0.00 -1.06 -2.77 120.51 113.48 1ijp n ALA 62 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.44 1ijp n ALA 62 Cb 0.47 0.21 -0.08 0.00 0.00 0.00 0.00 19.45 20.06 1ijp n ALA 62 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1ijp h ILE 63 N 0.00 0.21 0.17 0.00 1.08 -1.50 -2.61 117.51 114.86 1ijp h ILE 63 Ca 0.00 -0.32 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 1ijp h ILE 63 Cb 0.00 0.28 0.00 0.00 -3.07 0.00 0.00 36.82 34.03 1ijp h ILE 63 CO 0.00 0.03 -0.08 0.00 -0.69 0.00 0.00 178.15 177.40 1ijp h ALA 64 N -0.93 -0.23 -0.57 1.87 0.00 -1.62 -2.85 119.26 114.93 1ijp h ALA 64 Ca -0.09 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 1ijp h ALA 64 Cb 0.69 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1ijp h ALA 64 CO 0.14 -0.57 -0.05 1.98 0.00 0.00 0.00 179.25 180.74 1ijp h MET 65 N -0.34 1.04 0.95 0.00 1.85 -1.63 -2.60 114.93 114.19 1ijp h MET 65 Ca -0.02 -0.35 -0.05 0.00 -0.61 0.00 0.00 59.70 58.67 1ijp h MET 65 Cb 0.27 -0.08 0.01 0.00 0.43 0.00 0.00 31.60 32.22 1ijp h MET 65 CO 0.04 1.04 -0.48 0.97 -0.40 0.00 0.00 176.91 178.09 1ijp h ILE 66 N 0.93 0.00 -0.34 1.77 2.10 -1.54 -2.74 117.51 117.70 1ijp h ILE 66 Ca 0.16 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 66.07 1ijp h ILE 66 Cb 0.61 0.00 -0.02 0.00 -1.09 0.00 0.00 36.82 36.33 1ijp h ILE 66 CO 0.04 0.00 0.11 0.00 -1.08 0.00 0.00 178.15 177.22 1ijp h ALA 67 N -1.35 1.56 0.40 0.18 0.00 -1.59 -0.18 119.26 118.28 1ijp h ALA 67 Ca -0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1ijp h ALA 67 Cb 1.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1ijp h ALA 67 CO 0.20 0.34 -0.19 0.28 0.00 0.00 0.00 179.25 179.87 1ijp h VAL 68 N 0.48 0.42 -0.10 0.00 2.07 -1.56 -2.44 116.25 115.13 1ijp h VAL 68 Ca 0.12 -0.61 -0.14 0.00 0.82 0.00 0.00 66.70 66.89 1ijp h VAL 68 Cb 0.14 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1ijp h VAL 68 CO -0.01 0.08 -0.54 1.23 0.02 0.00 0.00 177.57 178.35 1ijp h GLY 69 N -0.96 0.30 0.99 2.17 0.00 -1.49 -2.59 103.07 101.48 1ijp h GLY 69 Ca -0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1ijp h GLY 69 CO 0.09 0.31 0.25 -2.00 0.00 0.00 0.00 176.54 175.20 1ijp h LEU 70 N 0.21 0.76 -0.66 3.11 6.46 -1.19 -1.99 115.31 122.02 1ijp h LEU 70 Ca 0.00 -0.15 0.11 0.00 -0.12 0.00 0.00 57.88 57.73 1ijp h LEU 70 Cb 1.02 -0.20 -0.12 0.00 -0.73 0.00 0.00 40.66 40.64 1ijp h LEU 70 CO 0.09 0.70 -0.34 1.23 -0.62 0.00 0.00 178.44 179.49 1ijp h GLY 71 N 0.78 -0.08 0.76 3.75 0.00 -1.37 -1.88 103.07 105.03 1ijp h GLY 71 Ca 0.19 0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.97 1ijp h GLY 71 CO -0.02 -0.21 0.01 -2.00 0.00 0.00 0.00 176.54 174.32 1ijp h LEU 72 N -0.13 0.08 -1.00 3.11 5.85 -1.42 -1.52 115.31 120.28 1ijp h LEU 72 Ca 0.25 -0.27 0.25 0.00 0.84 0.00 0.00 57.88 58.95 1ijp h LEU 72 Cb 0.56 -0.02 -0.19 0.00 0.37 0.00 0.00 40.66 41.38 1ijp h LEU 72 CO -0.73 0.33 -0.07 0.00 -0.34 0.00 0.00 178.44 177.63 1ijp n TYR 73 N -4.91 0.55 0.04 1.25 9.36 -0.75 -1.71 117.16 120.99 1ijp n TYR 73 Ca -0.07 1.21 -0.20 0.00 3.32 0.00 0.00 57.90 62.16 1ijp n TYR 73 Cb 0.16 -1.19 -0.12 0.00 -0.63 0.00 0.00 39.34 37.56 1ijp n TYR 73 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1ijp h VAL 74 N 0.00 1.37 -0.42 2.97 2.07 -1.30 -2.99 116.25 117.95 1ijp h VAL 74 Ca 0.56 -2.29 0.07 0.00 0.82 0.00 0.00 66.70 65.86 1ijp h VAL 74 Cb 1.08 2.69 -0.06 0.00 -1.52 0.00 0.00 31.29 33.47 1ijp h VAL 74 CO -0.97 0.68 0.07 -0.03 0.02 0.00 0.00 177.57 177.34 1ijp h MET 75 N 0.05 0.19 0.04 1.57 1.85 -1.05 -0.83 114.93 116.75 1ijp h MET 75 Ca -0.13 -0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 58.95 1ijp h MET 75 Cb 1.61 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.60 1ijp h MET 75 CO 0.17 0.12 -0.02 0.35 -0.40 0.00 0.00 176.91 177.14 1ijp h PHE 76 N 0.19 -0.05 -0.02 1.39 3.57 -1.46 -3.35 116.94 117.22 1ijp h PHE 76 Ca 0.20 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 1ijp h PHE 76 Cb 0.26 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1ijp h PHE 76 CO -0.22 -0.03 -0.18 0.00 -2.23 0.00 0.00 178.31 175.66 1ijp h ALA 77 N -1.64 0.04 0.36 2.41 0.00 -1.70 -3.38 119.26 115.36 1ijp h ALA 77 Ca -0.01 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1ijp h ALA 77 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ijp h ALA 77 CO 0.01 0.03 -0.18 0.28 0.00 0.00 0.00 179.25 179.39 1ijp h VAL 78 N -0.49 0.33 -0.01 0.00 2.07 -1.63 -3.51 116.25 113.01 1ijp h VAL 78 Ca -0.02 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1ijp h VAL 78 Cb 0.89 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1ijp h VAL 78 CO 0.04 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.70