#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2utg n ILE 2 N 0.00 1.40 -1.67 -0.61 5.41 -1.26 -4.95 119.36 117.68 2utg n ILE 2 Ca 0.00 -1.18 -0.43 0.00 1.00 0.00 0.00 62.75 62.13 2utg n ILE 2 Cb 0.00 -2.22 -0.03 0.00 -0.71 0.00 0.00 39.64 36.68 2utg n ILE 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2utg h PRO 4 N 9.73 0.21 -0.92 0.00 0.11 -1.99 -1.38 132.00 137.74 2utg h PRO 4 Ca -0.49 -0.03 0.17 0.00 0.11 0.00 0.00 66.00 65.76 2utg h PRO 4 Cb 1.24 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.24 2utg h PRO 4 CO 0.94 0.26 0.59 0.00 -0.21 0.00 0.00 178.00 179.59 2utg h ARG 5 N 0.10 0.61 -0.16 1.05 3.08 -1.99 -1.91 114.38 115.15 2utg h ARG 5 Ca 0.05 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 2utg h ARG 5 Cb 0.13 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.04 2utg h ARG 5 CO -0.01 0.40 -0.34 0.35 -1.07 0.00 0.00 179.97 179.31 2utg h PHE 6 N 0.62 0.64 -0.51 3.04 3.57 -1.77 -2.04 116.94 120.50 2utg h PHE 6 Ca 0.48 -0.24 0.13 0.00 3.53 0.00 0.00 57.97 61.87 2utg h PHE 6 Cb 0.90 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 2utg h PHE 6 CO -0.00 0.97 0.36 0.00 -2.23 0.00 0.00 178.31 177.40 2utg h ALA 7 N 0.56 2.32 -0.15 2.41 0.00 -0.83 -1.44 119.26 122.13 2utg h ALA 7 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2utg h ALA 7 Cb 0.94 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2utg h ALA 7 CO 0.07 -0.46 0.01 1.25 0.00 0.00 0.00 179.25 180.13 2utg h HIS 8 N 0.12 0.28 -0.29 0.00 -0.00 -0.93 -2.27 115.15 112.06 2utg h HIS 8 Ca 0.24 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.56 2utg h HIS 8 Cb 0.80 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 28.12 2utg h HIS 8 CO -0.00 0.46 0.15 0.28 -0.00 0.00 0.00 177.93 178.82 2utg h VAL 9 N 0.02 1.13 -0.46 5.26 2.07 -0.60 -2.37 116.25 121.31 2utg h VAL 9 Ca 0.05 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 2utg h VAL 9 Cb 0.33 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2utg h VAL 9 CO 0.01 0.13 0.15 0.40 0.02 0.00 0.00 177.57 178.28 2utg h ILE 10 N 0.35 1.19 -0.47 4.57 2.04 -1.21 -1.96 117.51 122.02 2utg h ILE 10 Ca 0.10 -0.62 -0.11 0.00 1.00 0.00 0.00 64.86 65.23 2utg h ILE 10 Cb 0.08 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2utg h ILE 10 CO -0.02 0.23 -0.13 -0.33 0.00 0.00 0.00 178.15 177.90 2utg h GLU 11 N 0.66 0.92 -0.46 2.37 5.08 -1.37 -1.43 114.58 120.36 2utg h GLU 11 Ca 0.16 -0.36 -0.09 0.00 -1.00 0.00 0.00 59.36 58.07 2utg h GLU 11 Cb 0.18 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2utg h GLU 11 CO -0.01 1.02 -0.06 -0.91 -1.00 0.00 0.00 179.01 178.05 2utg h ASN 12 N 0.77 0.85 -0.65 1.42 4.21 -1.02 -1.45 115.58 119.71 2utg h ASN 12 Ca 0.12 -0.34 0.10 0.00 1.21 0.00 0.00 56.30 57.39 2utg h ASN 12 Cb 0.69 -0.23 -0.08 0.00 -1.12 0.00 0.00 38.32 37.58 2utg h ASN 12 CO 0.05 0.99 0.25 0.25 -1.29 0.00 0.00 177.43 177.68 2utg h LEU 13 N 0.69 0.25 0.06 1.61 5.85 -1.07 0.46 115.31 123.17 2utg h LEU 13 Ca 0.12 0.08 -0.29 0.00 0.84 0.00 0.00 57.88 58.64 2utg h LEU 13 Cb 0.59 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 2utg h LEU 13 CO 0.04 0.14 -1.52 -0.07 -0.34 0.00 0.00 178.44 176.69 2utg h LEU 14 N 0.43 0.20 0.00 2.25 -0.00 -1.19 -3.41 115.31 113.59 2utg h LEU 14 Ca 0.33 -0.31 -0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2utg h LEU 14 Cb 0.43 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 41.02 2utg h LEU 14 CO -0.32 1.26 -1.04 0.18 -0.00 0.00 0.00 178.44 178.52 2utg n LEU 15 N -3.31 0.00 0.00 1.67 4.32 -0.55 -4.85 117.00 114.27 2utg n LEU 15 Ca -0.15 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.84 2utg n LEU 15 Cb 1.03 0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.84 2utg n LEU 15 CO 0.48 0.01 0.02 0.61 -1.22 0.00 0.00 177.39 177.28 2utg n GLY 16 N 2.65 -1.94 3.92 -0.72 0.00 0.16 -5.00 105.19 104.26 2utg n GLY 16 Ca -0.01 -1.54 -0.20 0.00 0.00 0.00 0.00 46.02 44.28 2utg n GLY 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2utg s THR 17 N -1.05 3.23 0.38 2.61 -4.23 -1.26 -4.93 115.64 110.39 2utg s THR 17 Ca 0.02 -1.22 0.08 0.00 -1.18 0.00 0.00 61.69 59.38 2utg s THR 17 Cb -0.00 -3.12 0.18 0.00 1.34 0.00 0.00 72.50 70.90 2utg s THR 17 CO 0.01 -0.08 1.94 -0.65 -0.54 0.00 0.00 174.62 175.30 2utg h PRO 18 N 0.99 0.38 -0.05 3.99 0.11 -1.97 -2.24 132.00 133.21 2utg h PRO 18 Ca -0.43 -0.07 -0.23 0.00 0.11 0.00 0.00 66.00 65.38 2utg h PRO 18 Cb 1.26 -0.06 0.02 0.00 0.11 0.00 0.00 31.00 32.33 2utg h PRO 18 CO 0.54 0.41 -0.87 1.03 -0.21 0.00 0.00 178.00 178.91 2utg h SER 19 N 0.37 0.85 -0.18 -2.05 0.87 -1.99 -1.43 113.55 109.99 2utg h SER 19 Ca 0.08 -0.71 0.04 0.00 -1.23 0.00 0.00 61.79 59.98 2utg h SER 19 Cb 0.26 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 2utg h SER 19 CO 0.01 1.43 -0.08 0.77 -0.53 0.00 0.00 176.83 178.43 2utg h SER 20 N 0.34 -0.28 0.35 6.23 4.64 -1.92 0.22 113.55 123.13 2utg h SER 20 Ca -0.09 0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 2utg h SER 20 Cb 1.52 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.77 2utg h SER 20 CO 0.17 -0.11 -0.17 0.22 -0.87 0.00 0.00 176.83 176.08 2utg h TYR 21 N -0.06 -0.44 -0.87 4.77 3.20 -1.25 -1.45 116.97 120.88 2utg h TYR 21 Ca 0.10 -0.01 0.23 0.00 3.14 0.00 0.00 58.73 62.18 2utg h TYR 21 Cb 0.21 0.14 -0.15 0.00 1.54 0.00 0.00 36.73 38.47 2utg h TYR 21 CO -0.23 -0.10 0.08 1.49 -1.64 0.00 0.00 178.16 177.76 2utg h GLU 22 N -0.85 0.10 -0.46 1.82 4.81 -1.20 -0.94 114.58 117.87 2utg h GLU 22 Ca -0.05 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2utg h GLU 22 Cb 0.53 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 2utg h GLU 22 CO 0.08 0.07 0.27 1.15 -0.73 0.00 0.00 179.01 179.84 2utg h THR 23 N 0.10 1.15 -0.63 0.32 2.02 -0.26 -2.82 112.91 112.79 2utg h THR 23 Ca 0.52 -0.35 0.18 0.00 0.77 0.00 0.00 66.41 67.53 2utg h THR 23 Cb 1.02 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 2utg h THR 23 CO -0.75 0.15 0.46 0.28 0.37 0.00 0.00 175.52 176.04 2utg h SER 24 N 0.61 0.00 0.27 4.18 0.02 -0.07 -3.24 113.55 115.31 2utg h SER 24 Ca 0.16 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2utg h SER 24 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2utg h SER 24 CO -0.03 0.00 -0.13 -0.07 -1.14 0.00 0.00 176.83 175.46 2utg h LEU 25 N 0.00 -0.31 -1.75 5.07 4.07 -1.29 -3.34 115.31 117.77 2utg h LEU 25 Ca 0.30 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.19 2utg h LEU 25 Cb 1.23 0.08 -0.01 0.00 1.08 0.00 0.00 40.66 43.04 2utg h LEU 25 CO -0.00 -0.13 0.02 0.11 -1.08 0.00 0.00 178.44 177.35 2utg h LYS 26 N -0.47 0.17 0.00 1.13 1.79 -1.65 0.35 116.57 117.90 2utg h LYS 26 Ca -0.04 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2utg h LYS 26 Cb 0.35 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2utg h LYS 26 CO 0.06 0.18 0.00 -0.85 -1.08 0.00 0.00 179.45 177.76 2utg n GLU 27 N -4.45 0.30 0.00 3.15 0.28 -1.25 -0.80 120.64 117.87 2utg n GLU 27 Ca -0.01 0.07 0.12 0.00 -0.16 0.00 0.00 57.16 57.17 2utg n GLU 27 Cb 0.13 -1.50 0.16 0.00 1.43 0.00 0.00 31.44 31.66 2utg n GLU 27 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2utg n PHE 28 N -1.31 0.03 -2.77 -1.84 3.72 0.12 -4.97 117.46 110.45 2utg n PHE 28 Ca 0.11 0.01 -0.21 0.00 -0.05 0.00 0.00 57.45 57.31 2utg n PHE 28 Cb 0.20 -0.22 0.02 0.00 -0.94 0.00 0.00 39.48 38.53 2utg n PHE 28 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2utg n GLU 29 N -1.55 -3.59 -0.91 -1.08 1.02 0.02 -4.97 120.64 109.58 2utg n GLU 29 Ca 0.05 0.90 -0.29 0.00 -0.02 0.00 0.00 57.16 57.80 2utg n GLU 29 Cb 0.34 -5.61 0.01 0.00 -0.02 0.00 0.00 31.44 26.17 2utg n GLU 29 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2utg n PRO 30 N -3.53 0.00 -1.57 3.49 -0.04 -1.26 -4.97 135.00 127.12 2utg n PRO 30 Ca -0.15 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.02 2utg n PRO 30 Cb 0.64 -0.77 0.13 0.00 -0.04 0.00 0.00 33.50 33.46 2utg n PRO 30 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2utg s ASP 31 N -0.77 3.70 0.09 3.54 3.68 -1.26 -4.81 116.67 120.84 2utg s ASP 31 Ca 0.40 0.98 -0.29 0.00 2.13 0.00 0.00 52.55 55.77 2utg s ASP 31 Cb -0.31 -1.56 -0.14 0.00 -1.45 0.00 0.00 42.92 39.45 2utg s ASP 31 CO 0.55 -2.43 1.65 -0.78 0.13 0.00 0.00 175.17 174.28 2utg h ASP 32 N -1.42 -0.67 -0.59 -0.34 1.82 -1.99 -0.23 116.42 113.01 2utg h ASP 32 Ca -0.50 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.19 2utg h ASP 32 Cb 1.33 0.21 -0.03 0.00 0.68 0.00 0.00 39.33 41.52 2utg h ASP 32 CO 0.62 -0.40 0.38 0.71 -1.61 0.00 0.00 179.24 178.93 2utg h THR 33 N -0.62 1.16 -0.39 2.25 1.35 -2.01 -2.39 112.91 112.26 2utg h THR 33 Ca -0.03 -0.32 0.01 0.00 -0.55 0.00 0.00 66.41 65.52 2utg h THR 33 Cb 0.53 0.32 -0.02 0.00 -1.73 0.00 0.00 68.15 67.25 2utg h THR 33 CO 0.01 0.16 0.25 0.24 -0.25 0.00 0.00 175.52 175.93 2utg h MET 34 N 0.79 0.49 -0.28 4.72 2.86 -1.88 -2.39 114.93 119.24 2utg h MET 34 Ca 0.21 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.69 2utg h MET 34 Cb -0.06 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 2utg h MET 34 CO -0.04 0.33 -0.36 -0.22 1.06 0.00 0.00 176.91 177.67 2utg h LYS 35 N 0.51 0.64 0.20 1.72 3.64 -0.73 -2.56 116.57 119.99 2utg h LYS 35 Ca 0.15 -0.31 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2utg h LYS 35 Cb -0.04 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2utg h LYS 35 CO -0.04 0.91 -0.17 0.22 -2.27 0.00 0.00 179.45 178.09 2utg h ASP 36 N 0.54 -0.44 -0.05 4.20 -0.00 -1.42 -2.21 116.42 117.04 2utg h ASP 36 Ca 0.05 0.04 0.04 0.00 -0.00 0.00 0.00 57.03 57.16 2utg h ASP 36 Cb 0.87 0.15 -0.05 0.00 -0.00 0.00 0.00 39.33 40.30 2utg h ASP 36 CO 0.08 -0.26 -0.25 0.00 -0.00 0.00 0.00 179.24 178.81 2utg h ALA 37 N 0.37 -0.29 -0.23 -0.78 0.00 -1.38 0.18 119.26 117.14 2utg h ALA 37 Ca -0.01 0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2utg h ALA 37 Cb 0.35 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 2utg h ALA 37 CO -0.02 -0.73 -0.07 0.78 0.00 0.00 0.00 179.25 179.21 2utg h GLY 38 N -0.35 0.15 2.00 0.00 0.00 -1.49 -1.50 103.07 101.88 2utg h GLY 38 Ca 0.08 0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.42 2utg h GLY 38 CO -0.26 -0.10 -0.36 -0.33 0.00 0.00 0.00 176.54 175.49 2utg h MET 39 N -0.02 0.00 -0.33 4.80 2.86 -0.90 -1.77 114.93 119.58 2utg h MET 39 Ca 0.11 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 2utg h MET 39 Cb 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2utg h MET 39 CO -0.25 0.36 -0.04 0.37 1.06 0.00 0.00 176.91 178.42 2utg h GLN 40 N 0.00 0.60 -0.15 1.72 4.15 0.41 -2.69 115.11 119.15 2utg h GLN 40 Ca -0.00 -0.21 0.03 0.00 0.77 0.00 0.00 58.65 59.24 2utg h GLN 40 Cb 0.76 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 2utg h GLN 40 CO 0.05 0.76 -0.07 1.98 -1.93 0.00 0.00 178.83 179.62 2utg h MET 41 N 0.39 -0.05 -0.58 1.69 4.05 -1.42 -2.63 114.93 116.39 2utg h MET 41 Ca 0.09 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.51 2utg h MET 41 Cb 0.51 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.29 2utg h MET 41 CO 0.02 -0.03 0.35 -0.22 0.23 0.00 0.00 176.91 177.27 2utg h LYS 42 N -0.05 0.79 -0.24 0.39 1.63 -1.30 -2.71 116.57 115.08 2utg h LYS 42 Ca 0.08 -0.07 0.05 0.00 -0.85 0.00 0.00 60.65 59.86 2utg h LYS 42 Cb 0.17 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.59 2utg h LYS 42 CO -0.18 0.57 -0.05 -0.22 -3.45 0.00 0.00 179.45 176.11 2utg h LYS 43 N 0.79 0.01 -0.11 1.90 3.11 -1.35 -1.76 116.57 119.16 2utg h LYS 43 Ca 0.21 -0.00 -0.16 0.00 -2.81 0.00 0.00 60.65 57.89 2utg h LYS 43 Cb -0.02 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 2utg h LYS 43 CO -0.04 0.01 -0.61 -0.39 -2.81 0.00 0.00 179.45 175.61 2utg h VAL 44 N 0.01 1.36 -0.32 2.00 -1.51 -1.31 -2.83 116.25 113.65 2utg h VAL 44 Ca 0.12 -1.95 -0.17 0.00 -1.23 0.00 0.00 66.70 63.47 2utg h VAL 44 Cb 0.17 1.95 -0.00 0.00 -2.13 0.00 0.00 31.29 31.28 2utg h VAL 44 CO -0.24 0.59 -0.46 -0.07 -1.23 0.00 0.00 177.57 176.16 2utg h LEU 45 N 0.27 0.91 -1.13 4.19 3.38 -1.48 0.16 115.31 121.61 2utg h LEU 45 Ca -0.01 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2utg h LEU 45 Cb 1.14 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2utg h LEU 45 CO 0.10 1.23 0.00 0.44 0.09 0.00 0.00 178.44 180.30 2utg h ASP 46 N 0.67 0.00 0.57 -0.43 3.45 -1.30 -2.62 116.42 116.77 2utg h ASP 46 Ca 0.04 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.50 2utg h ASP 46 Cb 1.04 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.81 2utg h ASP 46 CO 0.10 0.00 0.00 -1.54 -1.57 0.00 0.00 179.24 176.23 2utg n SER 47 N -2.75 0.00 -4.83 6.45 3.41 0.56 -4.75 113.62 111.71 2utg n SER 47 Ca 0.01 0.40 -0.32 0.00 -0.26 0.00 0.00 58.87 58.70 2utg n SER 47 Cb 0.28 -0.46 -0.03 0.00 -0.26 0.00 0.00 64.21 63.74 2utg n SER 47 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2utg s LEU 48 N -2.91 3.66 0.63 1.04 2.01 -0.99 -5.04 118.68 117.09 2utg s LEU 48 Ca 0.11 1.65 -0.18 0.00 0.01 0.00 0.00 54.13 55.71 2utg s LEU 48 Cb 0.12 -4.52 -0.03 0.00 0.01 0.00 0.00 46.19 41.77 2utg s LEU 48 CO 0.32 -0.65 1.10 -0.81 1.01 0.00 0.00 176.35 177.32 2utg n PRO 49 N -1.47 0.96 -0.25 1.29 -0.05 -1.26 -4.81 135.00 129.40 2utg n PRO 49 Ca 0.07 0.38 -0.06 0.00 -0.05 0.00 0.00 63.50 63.84 2utg n PRO 49 Cb 0.54 -2.33 0.05 0.00 -0.05 0.00 0.00 33.50 31.71 2utg n PRO 49 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 175.50 175.82 2utg h GLN 50 N 0.44 0.99 -0.28 0.54 4.15 -1.96 0.21 115.11 119.20 2utg h GLN 50 Ca -0.50 -0.13 0.02 0.00 0.77 0.00 0.00 58.65 58.81 2utg h GLN 50 Cb 1.35 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 2utg h GLN 50 CO 0.51 0.77 0.19 1.79 -1.93 0.00 0.00 178.83 180.16 2utg h THR 51 N 0.97 1.04 0.46 2.39 1.35 -1.98 -2.16 112.91 114.98 2utg h THR 51 Ca 0.24 -0.11 -0.02 0.00 -0.55 0.00 0.00 66.41 65.97 2utg h THR 51 Cb 0.08 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 67.19 2utg h THR 51 CO -0.03 0.06 -0.22 0.74 -0.25 0.00 0.00 175.52 175.81 2utg h THR 52 N 0.33 0.47 -0.60 6.82 2.02 -1.34 0.12 112.91 120.72 2utg h THR 52 Ca 0.11 -0.39 0.14 0.00 0.77 0.00 0.00 66.41 67.04 2utg h THR 52 Cb 0.05 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 2utg h THR 52 CO -0.02 0.06 0.41 0.03 0.37 0.00 0.00 175.52 176.37 2utg h ARG 53 N -0.88 0.20 -0.17 6.66 3.08 -0.77 -1.83 114.38 120.67 2utg h ARG 53 Ca -0.06 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 59.81 2utg h ARG 53 Cb 0.58 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2utg h ARG 53 CO 0.10 0.13 -0.52 1.49 -1.07 0.00 0.00 179.97 180.10 2utg h GLU 54 N 0.21 0.66 0.00 0.04 4.57 -0.92 -1.45 114.58 117.68 2utg h GLU 54 Ca 0.29 -0.48 -0.02 0.00 -1.18 0.00 0.00 59.36 57.97 2utg h GLU 54 Cb 0.84 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.51 2utg h GLU 54 CO -0.05 1.10 -0.10 -0.91 -1.18 0.00 0.00 179.01 177.87 2utg h ASN 55 N 0.34 0.00 0.44 1.04 2.35 0.10 -0.59 115.58 119.26 2utg h ASN 55 Ca -0.02 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.51 2utg h ASN 55 Cb 1.15 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.51 2utg h ASN 55 CO 0.11 0.10 -0.94 0.40 -1.65 0.00 0.00 177.43 175.45 2utg h ILE 56 N 0.00 1.44 0.05 2.81 2.04 -1.41 1.55 117.51 123.99 2utg h ILE 56 Ca -0.00 -2.55 -0.00 0.00 1.00 0.00 0.00 64.86 63.30 2utg h ILE 56 Cb 0.27 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.82 2utg h ILE 56 CO 0.01 0.75 -0.02 -0.03 0.00 0.00 0.00 178.15 178.86 2utg h MET 57 N 0.18 -0.06 0.04 2.37 4.05 -0.02 -0.52 114.93 120.97 2utg h MET 57 Ca -0.07 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.35 2utg h MET 57 Cb 1.58 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 32.39 2utg h MET 57 CO 0.16 0.14 -0.03 0.87 0.23 0.00 0.00 176.91 178.27 2utg h LYS 58 N -0.25 -0.07 -0.94 0.39 1.57 -1.21 0.07 116.57 116.13 2utg h LYS 58 Ca -0.01 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2utg h LYS 58 Cb 0.22 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 2utg h LYS 58 CO 0.01 -0.04 0.61 1.25 -0.57 0.00 0.00 179.45 180.71 2utg h LEU 59 N -0.07 1.09 0.69 2.94 5.85 0.29 -1.70 115.31 124.40 2utg h LEU 59 Ca -0.00 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 2utg h LEU 59 Cb 0.06 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 40.82 2utg h LEU 59 CO 0.00 0.80 -0.33 0.74 -0.34 0.00 0.00 178.44 179.31 2utg h THR 60 N 1.28 0.31 -1.22 1.05 2.02 -0.42 0.13 112.91 116.05 2utg h THR 60 Ca 0.34 -0.04 0.39 0.00 0.77 0.00 0.00 66.41 67.88 2utg h THR 60 Cb -0.13 0.32 -0.13 0.00 -1.74 0.00 0.00 68.15 66.48 2utg h THR 60 CO -0.07 0.01 0.78 -0.33 0.37 0.00 0.00 175.52 176.27 2utg h GLU 61 N -0.96 0.15 -0.29 6.66 3.07 -0.89 -1.46 114.58 120.87 2utg h GLU 61 Ca -0.09 -0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.66 2utg h GLU 61 Cb 0.72 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 2utg h GLU 61 CO 0.16 0.10 -0.24 -0.22 -1.40 0.00 0.00 179.01 177.40 2utg h LYS 62 N 0.15 0.55 0.19 2.33 3.64 -0.04 -2.85 116.57 120.55 2utg h LYS 62 Ca 0.78 -0.21 -0.32 0.00 -1.27 0.00 0.00 60.65 59.62 2utg h LYS 62 Cb 2.29 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 34.10 2utg h LYS 62 CO -0.43 0.76 -1.50 0.82 -2.27 0.00 0.00 179.45 176.82 2utg h ILE 63 N 0.49 1.23 0.00 2.00 2.04 -0.49 -2.77 117.51 120.01 2utg h ILE 63 Ca 0.07 -2.76 -0.13 0.00 1.00 0.00 0.00 64.86 63.03 2utg h ILE 63 Cb 0.68 2.91 -0.02 0.00 -0.74 0.00 0.00 36.82 39.66 2utg h ILE 63 CO 0.05 0.84 -0.64 -0.37 0.00 0.00 0.00 178.15 178.03 2utg h VAL 64 N 0.11 1.12 -0.66 1.67 -1.51 -1.58 -1.75 116.25 113.65 2utg h VAL 64 Ca -0.25 -2.51 0.00 0.00 -1.23 0.00 0.00 66.70 62.71 2utg h VAL 64 Cb 2.09 2.51 0.00 0.00 -2.13 0.00 0.00 31.29 33.75 2utg h VAL 64 CO 0.22 0.62 0.00 0.29 -1.23 0.00 0.00 177.57 177.47 2utg n LYS 65 N -3.29 2.58 -2.78 5.19 5.02 -1.08 -0.77 118.16 123.03 2utg n LYS 65 Ca 0.01 -2.45 -0.32 0.00 -2.02 0.00 0.00 58.31 53.53 2utg n LYS 65 Cb 0.78 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 34.20 2utg n LYS 65 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2utg s SER 66 N -1.06 6.75 0.10 4.39 1.04 -0.66 -4.90 113.70 119.37 2utg s SER 66 Ca 0.45 1.48 -0.06 0.00 0.48 0.00 0.00 55.95 58.31 2utg s SER 66 Cb 0.24 -2.46 0.13 0.00 0.10 0.00 0.00 66.02 64.02 2utg s SER 66 CO 0.31 -0.39 0.63 -2.65 0.98 0.00 0.00 173.24 172.12 2utg n PRO 67 N -0.94 -0.08 0.00 4.02 -0.02 -1.26 0.71 135.00 137.43 2utg n PRO 67 Ca 0.05 0.63 0.01 0.00 -2.02 0.00 0.00 63.50 62.17 2utg n PRO 67 Cb 0.54 -0.93 0.03 0.00 -0.02 0.00 0.00 33.50 33.12 2utg n PRO 67 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2utg n LEU 68 N -4.62 0.00 -0.00 2.45 4.77 -1.26 -1.34 117.00 117.00 2utg n LEU 68 Ca 0.05 0.33 0.01 0.00 -0.03 0.00 0.00 56.01 56.37 2utg n LEU 68 Cb 0.18 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 2utg n LEU 68 CO -0.05 -0.32 -0.06 0.00 -1.33 0.00 0.00 177.39 175.63