#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avu h SER 4 N 0.00 0.23 0.00 3.42 4.64 -2.06 -3.25 113.55 116.52 2avu h SER 4 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2avu h SER 4 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2avu h SER 4 CO 0.00 0.49 0.00 1.21 -0.87 0.00 0.00 176.83 177.66 2avu n GLU 5 N -4.16 0.00 -0.44 4.77 2.13 -1.26 -2.53 120.64 119.15 2avu n GLU 5 Ca -0.01 0.42 -0.09 0.00 0.66 0.00 0.00 57.16 58.14 2avu n GLU 5 Cb 0.36 -1.37 -0.04 0.00 0.27 0.00 0.00 31.44 30.66 2avu n GLU 5 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2avu n LEU 6 N -1.69 2.57 0.00 4.31 4.77 -1.23 0.18 117.00 125.92 2avu n LEU 6 Ca 0.00 -1.84 0.00 0.00 -0.03 0.00 0.00 56.01 54.14 2avu n LEU 6 Cb 0.00 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 2avu n LEU 6 CO 0.00 0.24 0.00 -0.11 -1.33 0.00 0.00 177.39 176.19 2avu n LEU 7 N 3.44 0.00 0.01 2.23 7.94 -1.17 -4.79 117.00 124.67 2avu n LEU 7 Ca 0.22 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.91 2avu n LEU 7 Cb 0.25 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.06 2avu n LEU 7 CO 0.37 0.00 -0.77 0.50 -1.11 0.00 0.00 177.39 176.38 2avu h LYS 8 N 0.00 0.27 -0.75 1.96 3.64 0.22 -3.20 116.57 118.71 2avu h LYS 8 Ca 0.00 -0.45 0.11 0.00 -1.27 0.00 0.00 60.65 59.04 2avu h LYS 8 Cb 0.00 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 2avu h LYS 8 CO 0.00 1.19 0.49 0.45 -2.27 0.00 0.00 179.45 179.31 2avu h HIS 9 N 0.07 0.63 -0.11 1.91 3.86 -1.82 0.17 115.15 119.86 2avu h HIS 9 Ca -0.41 0.02 -0.20 0.00 -1.16 0.00 0.00 60.37 58.61 2avu h HIS 9 Cb 2.04 -0.20 0.01 0.00 1.06 0.00 0.00 27.41 30.32 2avu h HIS 9 CO 0.08 0.28 -0.72 0.82 0.86 0.00 0.00 177.93 179.24 2avu h ILE 10 N 0.57 1.31 0.20 2.45 2.04 -1.85 -2.39 117.51 119.84 2avu h ILE 10 Ca 0.35 -1.97 -0.00 0.00 1.00 0.00 0.00 64.86 64.25 2avu h ILE 10 Cb 0.60 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 2avu h ILE 10 CO -0.13 0.61 -0.15 0.22 0.00 0.00 0.00 178.15 178.70 2avu h TYR 11 N 0.37 -0.39 -0.66 1.37 3.20 -1.04 0.37 116.97 120.19 2avu h TYR 11 Ca -0.06 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.92 2avu h TYR 11 Cb 1.36 0.15 -0.08 0.00 1.54 0.00 0.00 36.73 39.70 2avu h TYR 11 CO 0.10 -0.23 0.24 -0.44 -1.64 0.00 0.00 178.16 176.19 2avu h ASP 12 N -0.35 0.23 0.06 -2.11 3.45 -0.80 0.68 116.42 117.58 2avu h ASP 12 Ca -0.01 0.09 -0.14 0.00 0.43 0.00 0.00 57.03 57.40 2avu h ASP 12 Cb 0.31 0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.15 2avu h ASP 12 CO -0.01 0.12 -0.48 0.40 -1.57 0.00 0.00 179.24 177.71 2avu h ILE 13 N 0.42 1.32 -0.11 0.35 2.04 -1.10 0.16 117.51 120.58 2avu h ILE 13 Ca 0.34 -1.69 -0.08 0.00 1.00 0.00 0.00 64.86 64.44 2avu h ILE 13 Cb 0.45 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2avu h ILE 13 CO -0.34 0.52 -0.23 0.78 0.00 0.00 0.00 178.15 178.88 2avu h ASN 14 N 0.39 0.40 0.75 1.72 -0.26 0.08 -0.46 115.58 118.21 2avu h ASN 14 Ca 0.02 -0.56 -0.03 0.00 -0.56 0.00 0.00 56.30 55.17 2avu h ASN 14 Cb 0.98 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 38.12 2avu h ASN 14 CO 0.09 0.88 -0.44 0.25 -1.06 0.00 0.00 177.43 177.15 2avu h LEU 15 N -0.07 -1.11 -0.73 1.61 5.85 0.39 0.12 115.31 121.37 2avu h LEU 15 Ca 0.00 0.06 0.16 0.00 0.84 0.00 0.00 57.88 58.94 2avu h LEU 15 Cb 0.82 0.32 -0.13 0.00 0.37 0.00 0.00 40.66 42.04 2avu h LEU 15 CO 0.05 -0.69 -0.04 0.28 -0.34 0.00 0.00 178.44 177.70 2avu h SER 16 N -1.11 -0.41 -0.08 1.25 0.02 -0.74 0.78 113.55 113.26 2avu h SER 16 Ca -0.10 0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2avu h SER 16 Cb 0.89 0.36 -0.00 0.00 0.14 0.00 0.00 62.40 63.78 2avu h SER 16 CO 0.11 -0.19 0.04 0.22 -1.14 0.00 0.00 176.83 175.88 2avu h TYR 17 N 0.08 0.11 0.22 3.45 3.20 -0.81 -1.50 116.97 121.72 2avu h TYR 17 Ca 0.39 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.26 2avu h TYR 17 Cb 0.67 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 2avu h TYR 17 CO -0.45 0.15 -0.27 -0.07 -1.64 0.00 0.00 178.16 175.89 2avu h LEU 18 N 0.04 -0.73 0.05 2.82 3.38 0.14 0.79 115.31 121.80 2avu h LEU 18 Ca 0.03 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.08 2avu h LEU 18 Cb 0.08 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2avu h LEU 18 CO -0.00 -0.38 -0.23 -0.07 0.09 0.00 0.00 178.44 177.85 2avu h LEU 19 N -0.54 -0.69 -1.58 1.67 3.38 -0.97 -1.43 115.31 115.15 2avu h LEU 19 Ca 0.00 0.07 0.38 0.00 0.09 0.00 0.00 57.88 58.43 2avu h LEU 19 Cb 0.52 0.25 -0.10 0.00 0.09 0.00 0.00 40.66 41.43 2avu h LEU 19 CO -0.09 -0.24 0.86 0.25 0.09 0.00 0.00 178.44 179.31 2avu h LEU 20 N -0.33 0.22 -0.42 1.67 5.85 -1.23 0.74 115.31 121.82 2avu h LEU 20 Ca -0.00 0.08 -0.18 0.00 0.84 0.00 0.00 57.88 58.62 2avu h LEU 20 Cb 0.33 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 2avu h LEU 20 CO -0.12 -0.04 -0.63 0.00 -0.34 0.00 0.00 178.44 177.31 2avu h ALA 21 N 1.50 0.60 0.42 1.25 0.00 0.17 -1.78 119.26 121.41 2avu h ALA 21 Ca 0.71 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2avu h ALA 21 Cb 2.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.05 2avu h ALA 21 CO -0.25 0.71 -0.20 0.37 0.00 0.00 0.00 179.25 179.88 2avu h GLN 22 N 0.43 -0.54 0.00 0.00 4.15 0.13 0.40 115.11 119.67 2avu h GLN 22 Ca -0.01 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2avu h GLN 22 Cb 1.19 0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.01 2avu h GLN 22 CO 0.12 -0.36 0.47 0.54 -1.93 0.00 0.00 178.83 177.66 2avu n ARG 23 N -4.22 0.05 -0.08 1.69 5.12 0.58 0.15 116.66 119.96 2avu n ARG 23 Ca -0.07 0.48 -0.06 0.00 -1.93 0.00 0.00 57.85 56.27 2avu n ARG 23 Cb 0.22 -2.13 -0.14 0.00 -1.16 0.00 0.00 32.46 29.25 2avu n ARG 23 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2avu n LEU 24 N -1.83 0.00 0.15 0.55 7.94 -0.67 -4.04 117.00 119.10 2avu n LEU 24 Ca -0.00 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.02 2avu n LEU 24 Cb 0.48 0.38 0.20 0.00 0.53 0.00 0.00 43.42 45.00 2avu n LEU 24 CO 0.03 0.38 0.64 0.40 -1.11 0.00 0.00 177.39 177.73 2avu h ILE 25 N 0.00 0.00 0.10 1.96 2.04 0.36 -3.26 117.51 118.71 2avu h ILE 25 Ca -0.42 -0.81 -0.29 0.00 1.00 0.00 0.00 64.86 64.34 2avu h ILE 25 Cb 1.93 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.68 2avu h ILE 25 CO 0.02 0.00 -1.42 -0.37 0.00 0.00 0.00 178.15 176.38 2avu h VAL 26 N 0.00 1.27 -0.08 1.67 -1.51 -1.46 -3.23 116.25 112.92 2avu h VAL 26 Ca 0.00 -2.91 0.00 0.00 -1.23 0.00 0.00 66.70 62.56 2avu h VAL 26 Cb 0.91 2.79 0.00 0.00 -2.13 0.00 0.00 31.29 32.86 2avu h VAL 26 CO 0.00 0.83 0.00 0.00 -1.23 0.00 0.00 177.57 177.17 2avu n GLN 27 N -3.44 1.49 0.00 5.19 6.02 -1.23 -4.86 117.38 120.55 2avu n GLN 27 Ca -0.13 -0.41 0.00 0.00 -0.01 0.00 0.00 57.00 56.45 2avu n GLN 27 Cb 1.03 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 30.73 2avu n GLN 27 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2avu n ASP 28 N 0.06 0.00 -0.01 1.08 -0.08 -1.22 -5.06 116.55 111.33 2avu n ASP 28 Ca 0.04 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.28 2avu n ASP 28 Cb 0.35 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.80 2avu n ASP 28 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2avu n LYS 29 N -1.96 0.09 -0.33 -0.67 4.81 -1.25 -3.71 118.16 115.14 2avu n LYS 29 Ca 0.00 0.04 0.07 0.00 -0.87 0.00 0.00 58.31 57.54 2avu n LYS 29 Cb 0.00 -0.64 0.16 0.00 0.02 0.00 0.00 35.03 34.56 2avu n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2avu h ALA 30 N -0.15 0.73 -0.08 3.14 0.00 -1.97 0.15 119.26 121.08 2avu h ALA 30 Ca -0.08 0.35 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2avu h ALA 30 Cb 0.87 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2avu h ALA 30 CO -0.05 -0.43 -0.23 0.77 0.00 0.00 0.00 179.25 179.31 2avu h SER 31 N 0.01 0.35 -0.02 0.00 0.02 -1.96 -3.09 113.55 108.86 2avu h SER 31 Ca 0.47 -0.60 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2avu h SER 31 Cb 0.79 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 2avu h SER 31 CO -0.93 0.89 0.09 0.00 -1.14 0.00 0.00 176.83 175.74 2avu h ALA 32 N 0.47 1.18 0.00 3.77 0.00 -1.23 0.20 119.26 123.66 2avu h ALA 32 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2avu h ALA 32 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2avu h ALA 32 CO 0.05 -0.10 0.00 -1.33 0.00 0.00 0.00 179.25 177.87 2avu n MET 33 N -3.16 0.20 -0.11 0.00 2.81 0.34 -2.44 117.12 114.76 2avu n MET 33 Ca -0.02 0.18 -0.20 0.00 -1.81 0.00 0.00 57.70 55.85 2avu n MET 33 Cb 0.16 -1.74 -0.09 0.00 -0.71 0.00 0.00 33.22 30.84 2avu n MET 33 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2avu n PHE 34 N -2.10 0.00 0.24 2.03 -0.00 0.58 -3.09 117.46 115.13 2avu n PHE 34 Ca 0.06 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.60 2avu n PHE 34 Cb 0.40 -0.82 0.62 0.00 -0.00 0.00 0.00 39.48 39.68 2avu n PHE 34 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2avu h ARG 35 N -0.42 0.00 0.00 -4.13 2.47 -1.29 -3.04 114.38 107.97 2avu h ARG 35 Ca -0.53 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.11 2avu h ARG 35 Cb 1.62 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.93 2avu h ARG 35 CO -0.22 0.17 -1.99 1.28 0.56 0.00 0.00 179.97 179.77 2avu n LEU 36 N -3.85 0.00 0.00 3.04 4.77 -1.02 -5.00 117.00 114.93 2avu n LEU 36 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2avu n LEU 36 Cb 0.27 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2avu n LEU 36 CO 0.33 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2avu n GLY 37 N 1.49 0.62 4.01 -0.72 0.00 -1.15 -5.06 105.19 104.37 2avu n GLY 37 Ca -0.10 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 2avu n GLY 37 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2avu s ILE 38 N -2.00 3.13 0.52 -0.61 -4.36 -1.18 -5.00 121.20 111.71 2avu s ILE 38 Ca 0.00 -0.99 0.08 0.00 -0.26 0.00 0.00 60.65 59.48 2avu s ILE 38 Cb 0.00 -3.06 0.08 0.00 1.25 0.00 0.00 42.46 40.74 2avu s ILE 38 CO 0.00 -0.02 0.67 -0.46 0.24 0.00 0.00 174.94 175.37 2avu n ASN 39 N -1.84 2.05 0.05 4.36 0.23 -1.26 -4.55 115.26 114.30 2avu n ASN 39 Ca 0.07 -2.46 -0.02 0.00 -0.53 0.00 0.00 54.58 51.63 2avu n ASN 39 Cb 0.59 -0.32 -0.01 0.00 -2.08 0.00 0.00 39.78 37.95 2avu n ASN 39 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2avu h GLU 40 N 0.00 -0.13 -0.55 -3.83 4.81 -1.98 -0.35 114.58 112.55 2avu h GLU 40 Ca -0.26 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.14 2avu h GLU 40 Cb 1.14 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 2avu h GLU 40 CO 0.38 -0.09 0.72 0.93 -0.73 0.00 0.00 179.01 180.23 2avu h GLU 41 N -0.14 0.00 0.13 1.92 5.08 -1.98 1.07 114.58 120.66 2avu h GLU 41 Ca -0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 2avu h GLU 41 Cb 0.11 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.39 2avu h GLU 41 CO 0.01 0.00 -1.16 1.98 -1.00 0.00 0.00 179.01 178.84 2avu h MET 42 N 0.00 0.55 -0.13 2.33 4.05 -1.87 -2.22 114.93 117.64 2avu h MET 42 Ca 0.26 -0.77 -0.05 0.00 -0.28 0.00 0.00 59.70 58.86 2avu h MET 42 Cb 1.71 0.26 -0.00 0.00 -0.80 0.00 0.00 31.60 32.76 2avu h MET 42 CO -0.00 1.35 -0.10 0.00 0.23 0.00 0.00 176.91 178.39 2avu h ALA 43 N 0.24 0.18 -0.06 0.39 0.00 0.27 0.98 119.26 121.26 2avu h ALA 43 Ca -0.18 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.47 2avu h ALA 43 Cb 1.86 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.55 2avu h ALA 43 CO 0.22 0.01 -0.32 1.15 0.00 0.00 0.00 179.25 180.32 2avu h THR 44 N -0.09 0.30 -0.84 0.00 2.02 -0.26 0.58 112.91 114.62 2avu h THR 44 Ca 0.02 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.24 2avu h THR 44 Cb 0.60 0.30 -0.05 0.00 -1.74 0.00 0.00 68.15 67.26 2avu h THR 44 CO 0.03 0.00 0.55 0.74 0.37 0.00 0.00 175.52 177.21 2avu h THR 45 N -0.44 1.12 -0.16 3.16 2.02 -1.31 -2.06 112.91 115.23 2avu h THR 45 Ca 0.08 -0.35 -0.19 0.00 0.77 0.00 0.00 66.41 66.71 2avu h THR 45 Cb 0.55 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2avu h THR 45 CO -0.30 0.19 -0.68 -0.07 0.37 0.00 0.00 175.52 175.02 2avu h LEU 46 N 1.02 0.77 -0.99 2.58 3.38 0.01 -3.31 115.31 118.77 2avu h LEU 46 Ca 0.34 -0.47 0.13 0.00 0.09 0.00 0.00 57.88 57.97 2avu h LEU 46 Cb 0.06 -0.22 -0.14 0.00 0.09 0.00 0.00 40.66 40.45 2avu h LEU 46 CO -0.10 1.24 -0.47 0.00 0.09 0.00 0.00 178.44 179.19 2avu n ALA 47 N -2.56 -0.33 -1.00 1.53 0.00 0.20 -3.79 120.51 114.56 2avu n ALA 47 Ca -0.05 0.93 0.00 0.00 0.00 0.00 0.00 53.44 54.32 2avu n ALA 47 Cb 0.69 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.82 2avu n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2avu n ALA 48 N -3.39 0.00 -2.61 0.00 0.00 -1.22 -4.93 120.51 108.36 2avu n ALA 48 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.48 2avu n ALA 48 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.77 2avu n ALA 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2avu n LEU 49 N 0.00 -5.18 -4.82 0.00 4.77 -1.25 -4.97 117.00 105.54 2avu n LEU 49 Ca 0.00 1.95 -0.30 0.00 -0.03 0.00 0.00 56.01 57.63 2avu n LEU 49 Cb 0.00 -2.65 0.07 0.00 -2.33 0.00 0.00 43.42 38.51 2avu n LEU 49 CO 0.00 -3.26 0.72 0.42 -1.33 0.00 0.00 177.39 173.94 2avu s THR 50 N -0.41 3.43 0.28 -5.08 -4.23 -1.26 -4.78 115.64 103.59 2avu s THR 50 Ca -0.13 0.47 0.01 0.00 -1.18 0.00 0.00 61.69 60.86 2avu s THR 50 Cb 0.01 -3.26 0.30 0.00 1.34 0.00 0.00 72.50 70.88 2avu s THR 50 CO 0.35 -0.61 1.66 0.25 -0.54 0.00 0.00 174.62 175.73 2avu h LEU 51 N -0.90 0.04 -0.44 4.79 7.12 -2.00 -0.08 115.31 123.84 2avu h LEU 51 Ca -0.46 0.18 -0.18 0.00 0.13 0.00 0.00 57.88 57.56 2avu h LEU 51 Cb 1.25 0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 41.61 2avu h LEU 51 CO 0.60 -0.12 -0.65 -0.65 -0.13 0.00 0.00 178.44 177.49 2avu h PRO 52 N 0.24 0.51 -0.93 5.25 0.11 -1.97 -2.12 132.00 133.10 2avu h PRO 52 Ca 0.53 -0.37 0.04 0.00 0.11 0.00 0.00 66.00 66.31 2avu h PRO 52 Cb 1.04 0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.16 2avu h PRO 52 CO -0.62 0.99 0.60 1.96 -0.21 0.00 0.00 178.00 180.72 2avu h GLN 53 N 0.37 1.13 -0.18 1.05 4.20 -1.38 0.72 115.11 121.01 2avu h GLN 53 Ca -0.01 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 2avu h GLN 53 Cb 1.21 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 28.73 2avu h GLN 53 CO 0.12 0.75 -0.11 0.52 -0.67 0.00 0.00 178.83 179.43 2avu h MET 54 N 1.16 0.40 0.00 1.46 2.86 -1.30 -2.14 114.93 117.37 2avu h MET 54 Ca 0.37 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2avu h MET 54 Cb 0.02 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2avu h MET 54 CO -0.12 0.72 0.00 0.28 1.06 0.00 0.00 176.91 178.84 2avu n VAL 55 N -4.56 1.44 -0.06 -2.22 0.31 -0.75 -0.32 118.33 112.16 2avu n VAL 55 Ca -0.05 0.36 -0.06 0.00 -0.01 0.00 0.00 64.34 64.58 2avu n VAL 55 Cb 0.33 -1.30 -0.04 0.00 -0.91 0.00 0.00 33.84 31.93 2avu n VAL 55 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2avu h LYS 56 N 0.00 0.00 -0.39 5.55 1.79 -0.21 -3.16 116.57 120.15 2avu h LYS 56 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2avu h LYS 56 Cb 0.05 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 2avu h LYS 56 CO 0.00 0.27 0.21 -0.07 -1.08 0.00 0.00 179.45 178.78 2avu h LEU 57 N -1.00 0.50 -0.94 2.94 3.38 -1.10 -3.10 115.31 115.99 2avu h LEU 57 Ca -0.03 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 57.89 2avu h LEU 57 Cb 0.43 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 2avu h LEU 57 CO -0.02 0.46 0.60 0.00 0.09 0.00 0.00 178.44 179.57 2avu h ALA 58 N 1.06 1.28 -0.47 1.53 0.00 -0.85 -3.34 119.26 118.47 2avu h ALA 58 Ca 0.14 -0.03 -0.45 0.00 0.00 0.00 0.00 54.91 54.57 2avu h ALA 58 Cb 0.07 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2avu h ALA 58 CO -0.02 0.41 1.51 -1.91 0.00 0.00 0.00 179.25 179.23 2avu n GLU 59 N -4.53 1.94 -4.07 0.00 2.13 -1.17 -4.33 120.64 110.61 2avu n GLU 59 Ca 0.13 -2.56 -0.11 0.00 0.66 0.00 0.00 57.16 55.29 2avu n GLU 59 Cb 0.15 -3.58 -0.06 0.00 0.27 0.00 0.00 31.44 28.22 2avu n GLU 59 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 2avu s THR 60 N 8.77 0.00 -0.29 6.31 -1.32 -1.26 -4.99 115.64 122.85 2avu s THR 60 Ca 0.64 -1.60 0.20 0.00 -1.21 0.00 0.00 61.69 59.72 2avu s THR 60 Cb 0.03 -2.34 0.15 0.00 -1.51 0.00 0.00 72.50 68.83 2avu s THR 60 CO 0.12 0.00 1.36 -1.13 -2.21 0.00 0.00 174.62 172.76 2avu h ASN 61 N 2.34 0.00 -3.44 8.08 -0.00 -1.93 -3.42 115.58 117.20 2avu h ASN 61 Ca -0.29 0.00 -0.66 0.00 -0.00 0.00 0.00 56.30 55.35 2avu h ASN 61 Cb 1.25 0.00 -0.14 0.00 -0.00 0.00 0.00 38.32 39.42 2avu h ASN 61 CO 0.41 0.18 -0.72 -1.10 -0.00 0.00 0.00 177.43 176.20 2avu s GLN 62 N -3.16 2.24 0.32 6.67 -0.21 -1.26 -5.05 119.66 119.21 2avu s GLN 62 Ca 0.04 -1.00 -0.28 0.00 0.02 0.00 0.00 55.36 54.14 2avu s GLN 62 Cb 0.07 -2.36 -0.09 0.00 1.00 0.00 0.00 33.01 31.63 2avu s GLN 62 CO 0.73 0.51 1.10 -0.51 -2.12 0.00 0.00 175.29 175.00 2avu s LEU 63 N -2.31 4.41 0.00 2.90 2.01 -1.26 -4.94 118.68 119.49 2avu s LEU 63 Ca 0.23 2.24 0.21 0.00 0.01 0.00 0.00 54.13 56.82 2avu s LEU 63 Cb -0.11 -3.80 0.56 0.00 0.01 0.00 0.00 46.19 42.85 2avu s LEU 63 CO 0.15 -0.29 1.46 1.33 1.01 0.00 0.00 176.35 180.00 2avu n VAL 64 N 0.76 0.40 -4.38 -1.59 0.24 -1.26 -4.89 118.33 107.61 2avu n VAL 64 Ca 0.01 -0.57 -0.19 0.00 -2.04 0.00 0.00 64.34 61.55 2avu n VAL 64 Cb 0.46 0.64 -0.14 0.00 -1.47 0.00 0.00 33.84 33.33 2avu n VAL 64 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2avu s HIS 66 N -0.43 3.48 -0.65 0.00 3.76 -1.26 -5.04 115.29 115.15 2avu s HIS 66 Ca 0.02 0.41 -0.27 0.00 -0.15 0.00 0.00 55.06 55.08 2avu s HIS 66 Cb -0.05 -1.90 0.03 0.00 1.11 0.00 0.00 32.58 31.77 2avu s HIS 66 CO -0.00 0.41 1.18 0.12 -0.85 0.00 0.00 174.74 175.60 2avu s PHE 67 N -1.77 2.49 0.61 1.40 5.36 -1.26 -4.89 117.98 119.93 2avu s PHE 67 Ca 0.39 0.08 0.34 0.00 -0.96 0.00 0.00 56.93 56.78 2avu s PHE 67 Cb -0.12 -4.50 1.99 0.00 -0.34 0.00 0.00 43.02 40.06 2avu s PHE 67 CO 0.27 -1.78 2.27 0.07 -1.46 0.00 0.00 175.22 174.60 2avu h ARG 68 N 9.73 0.00 -3.55 10.12 0.11 -2.01 -3.33 114.38 125.44 2avu h ARG 68 Ca -0.27 0.00 -0.68 0.00 0.10 0.00 0.00 59.98 59.14 2avu h ARG 68 Cb 1.06 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.13 2avu h ARG 68 CO 1.22 0.00 3.42 1.19 0.10 0.00 0.00 179.97 185.89 2avu n PHE 69 N -3.61 2.89 0.00 4.08 3.72 -1.26 -4.89 117.46 118.39 2avu n PHE 69 Ca -0.03 -2.95 0.00 0.00 -0.05 0.00 0.00 57.45 54.42 2avu n PHE 69 Cb 0.10 -2.47 0.00 0.00 -0.94 0.00 0.00 39.48 36.17 2avu n PHE 69 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2avu n ASP 70 N 4.95 0.00 0.00 4.37 5.68 -1.25 -3.94 116.55 126.35 2avu n ASP 70 Ca 0.64 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.93 2avu n ASP 70 Cb 0.31 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 2avu n ASP 70 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 2avu n SER 71 N 0.00 0.00 0.00 -1.12 2.88 -1.26 -3.55 113.62 110.57 2avu n SER 71 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2avu n SER 71 Cb 0.00 -0.06 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 2avu n SER 71 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2avu n HIS 72 N -0.13 0.00 0.00 0.66 8.25 -1.25 -4.21 115.22 118.54 2avu n HIS 72 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2avu n HIS 72 Cb 0.00 -1.58 0.00 0.00 1.12 0.00 0.00 29.99 29.53 2avu n HIS 72 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2avu n GLN 73 N -0.22 1.83 -0.02 -0.41 6.02 -1.25 -4.20 117.38 119.12 2avu n GLN 73 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.82 2avu n GLN 73 Cb 0.23 -0.94 -0.08 0.00 1.02 0.00 0.00 30.24 30.48 2avu n GLN 73 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 2avu h THR 74 N 0.00 1.30 -0.04 5.09 2.02 -1.73 1.05 112.91 120.60 2avu h THR 74 Ca 0.00 -1.94 -0.06 0.00 0.77 0.00 0.00 66.41 65.18 2avu h THR 74 Cb 0.34 2.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 2avu h THR 74 CO 0.00 0.61 -0.24 -0.29 0.37 0.00 0.00 175.52 175.97 2avu h ILE 75 N 0.43 1.19 0.03 3.11 2.10 -1.70 -1.00 117.51 121.67 2avu h ILE 75 Ca -0.05 -0.90 -0.24 0.00 1.08 0.00 0.00 64.86 64.75 2avu h ILE 75 Cb 1.35 1.43 0.00 0.00 -1.09 0.00 0.00 36.82 38.52 2avu h ILE 75 CO 0.15 0.26 -1.01 0.74 -1.08 0.00 0.00 178.15 177.21 2avu h THR 76 N 0.06 1.42 0.00 2.19 2.02 -1.62 -2.94 112.91 114.04 2avu h THR 76 Ca 0.01 -2.59 0.00 0.00 0.77 0.00 0.00 66.41 64.60 2avu h THR 76 Cb 0.46 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 2avu h THR 76 CO 0.03 0.77 0.06 1.67 0.37 0.00 0.00 175.52 178.42 2avu n GLN 77 N -3.70 0.00 0.00 6.66 0.00 0.36 -5.06 117.38 115.64 2avu n GLN 77 Ca -0.07 0.37 0.00 0.00 -0.00 0.00 0.00 57.00 57.30 2avu n GLN 77 Cb 0.88 -1.56 0.00 0.00 0.00 0.00 0.00 30.24 29.56 2avu n GLN 77 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34