#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zza n SER 2 N 0.00 0.00 -3.45 1.61 2.88 -1.26 -3.14 113.62 110.26 1zza n SER 2 Ca 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 1zza n SER 2 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 1zza n SER 2 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 1zza n MET 3 N 9.81 1.36 0.00 -1.46 3.85 -1.26 -4.57 117.12 124.85 1zza n MET 3 Ca 0.00 -1.55 0.00 0.00 -1.00 0.00 0.00 57.70 55.15 1zza n MET 3 Cb 0.00 -2.68 0.00 0.00 -1.05 0.00 0.00 33.22 29.49 1zza n MET 3 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1zza n SER 4 N 6.63 0.15 -2.01 3.17 7.64 -1.19 -4.52 113.62 123.49 1zza n SER 4 Ca 0.44 -1.94 -0.00 0.00 1.01 0.00 0.00 58.87 58.38 1zza n SER 4 Cb 0.31 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1zza n SER 4 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1zza n ILE 5 N -0.42 0.00 -3.58 0.44 -6.64 -1.26 -4.98 119.36 102.92 1zza n ILE 5 Ca 0.00 -0.01 -0.06 0.00 -1.77 0.00 0.00 62.75 60.91 1zza n ILE 5 Cb 0.04 -1.85 0.00 0.00 -1.44 0.00 0.00 39.64 36.39 1zza n ILE 5 CO 0.00 0.00 0.00 0.23 -1.77 0.00 0.00 176.55 175.01 1zza n MET 6 N -1.02 1.29 0.00 6.28 2.81 -1.26 -4.09 117.12 121.13 1zza n MET 6 Ca 0.00 -0.84 0.00 0.00 -1.81 0.00 0.00 57.70 55.05 1zza n MET 6 Cb 0.00 0.09 0.00 0.00 -0.71 0.00 0.00 33.22 32.60 1zza n MET 6 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1zza n ASP 7 N -1.98 0.00 -0.08 7.83 -0.08 -1.26 -4.11 116.55 116.86 1zza n ASP 7 Ca -0.00 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.14 1zza n ASP 7 Cb 0.15 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.47 1zza n ASP 7 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1zza n HIS 8 N 0.00 0.34 0.17 -0.67 8.25 -1.26 -3.82 115.22 118.23 1zza n HIS 8 Ca 0.00 0.10 -0.14 0.00 -0.26 0.00 0.00 57.72 57.41 1zza n HIS 8 Cb 0.00 -1.05 -0.08 0.00 1.12 0.00 0.00 29.99 29.98 1zza n HIS 8 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1zza h SER 9 N 0.01 -0.34 -0.19 0.41 4.64 -1.71 0.11 113.55 116.47 1zza h SER 9 Ca -0.50 0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 60.68 1zza h SER 9 Cb 2.08 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 64.26 1zza h SER 9 CO 0.01 -0.24 -0.47 1.55 -0.87 0.00 0.00 176.83 176.82 1zza h PRO 10 N -0.39 0.76 0.42 4.77 0.13 -1.88 -0.71 132.00 135.10 1zza h PRO 10 Ca -0.03 -0.43 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1zza h PRO 10 Cb 0.30 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.47 1zza h PRO 10 CO 0.05 1.06 -0.20 1.79 -0.23 0.00 0.00 178.00 180.47 1zza h THR 11 N 0.60 0.29 -0.76 1.56 1.35 -1.64 0.16 112.91 114.47 1zza h THR 11 Ca 0.03 -0.62 0.02 0.00 -0.55 0.00 0.00 66.41 65.29 1zza h THR 11 Cb 1.03 0.45 -0.04 0.00 -1.73 0.00 0.00 68.15 67.87 1zza h THR 11 CO 0.10 0.06 0.50 0.71 -0.25 0.00 0.00 175.52 176.65 1zza h THR 12 N -1.04 1.16 0.54 6.82 1.35 -0.87 0.27 112.91 121.14 1zza h THR 12 Ca -0.06 -0.34 -0.03 0.00 -0.55 0.00 0.00 66.41 65.43 1zza h THR 12 Cb 0.53 0.08 0.01 0.00 -1.73 0.00 0.00 68.15 67.04 1zza h THR 12 CO 0.09 0.18 -0.26 1.23 -0.25 0.00 0.00 175.52 176.52 1zza h GLY 13 N 0.99 -0.76 0.66 5.82 0.00 -1.12 0.43 103.07 109.09 1zza h GLY 13 Ca 0.29 0.28 0.09 0.00 0.00 0.00 0.00 47.33 47.99 1zza h GLY 13 CO -0.07 -0.28 0.63 -2.08 0.00 0.00 0.00 176.54 174.75 1zza h VAL 14 N -1.00 1.02 -0.39 4.60 2.07 -0.41 0.15 116.25 122.30 1zza h VAL 14 Ca -0.07 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 66.99 1zza h VAL 14 Cb 0.63 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1zza h VAL 14 CO 0.12 0.20 -0.10 0.58 0.02 0.00 0.00 177.57 178.39 1zza h VAL 15 N 1.08 1.28 0.26 2.57 2.07 -0.35 0.14 116.25 123.30 1zza h VAL 15 Ca 0.45 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1zza h VAL 15 Cb 0.30 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1zza h VAL 15 CO -0.20 0.40 -0.12 0.74 0.02 0.00 0.00 177.57 178.40 1zza h THR 16 N 0.56 0.76 -0.40 2.57 2.02 0.11 0.40 112.91 118.92 1zza h THR 16 Ca 0.10 -0.05 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 1zza h THR 16 Cb 0.62 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1zza h THR 16 CO 0.04 0.01 0.01 -0.37 0.37 0.00 0.00 175.52 175.58 1zza h VAL 17 N -0.37 1.21 -0.38 3.16 -1.51 -0.72 0.83 116.25 118.47 1zza h VAL 17 Ca -0.04 -0.86 -0.12 0.00 -1.23 0.00 0.00 66.70 64.46 1zza h VAL 17 Cb 0.29 0.90 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 1zza h VAL 17 CO 0.06 0.30 -0.22 0.40 -1.23 0.00 0.00 177.57 176.87 1zza h ILE 18 N 0.60 1.28 -0.58 7.19 2.04 -0.31 0.42 117.51 128.16 1zza h ILE 18 Ca 0.13 -1.37 -0.05 0.00 1.00 0.00 0.00 64.86 64.57 1zza h ILE 18 Cb 0.36 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1zza h ILE 18 CO 0.01 0.45 0.18 0.58 0.00 0.00 0.00 178.15 179.38 1zza h VAL 19 N 0.61 1.24 0.01 1.67 2.07 0.17 0.75 116.25 122.77 1zza h VAL 19 Ca 0.08 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1zza h VAL 19 Cb 0.78 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1zza h VAL 19 CO 0.06 0.31 -0.00 0.40 0.02 0.00 0.00 177.57 178.36 1zza h ILE 20 N 0.82 1.18 -0.79 4.57 2.04 -0.62 0.25 117.51 124.96 1zza h ILE 20 Ca 0.19 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1zza h ILE 20 Cb 0.29 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1zza h ILE 20 CO -0.01 0.14 0.41 0.17 0.00 0.00 0.00 178.15 178.87 1zza h LEU 21 N -0.24 1.00 -0.55 1.44 8.10 0.04 0.35 115.31 125.45 1zza h LEU 21 Ca -0.00 -0.11 -0.00 0.00 0.11 0.00 0.00 57.88 57.87 1zza h LEU 21 Cb 0.24 -0.26 -0.03 0.00 -0.44 0.00 0.00 40.66 40.18 1zza h LEU 21 CO 0.00 0.83 0.33 0.40 -4.11 0.00 0.00 178.44 175.89 1zza h ILE 22 N 1.10 1.17 -0.36 0.15 1.08 0.74 0.29 117.51 121.68 1zza h ILE 22 Ca 0.28 -0.38 -0.04 0.00 -0.39 0.00 0.00 64.86 64.32 1zza h ILE 22 Cb 0.06 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.22 1zza h ILE 22 CO -0.04 0.17 0.08 0.00 -0.69 0.00 0.00 178.15 177.67 1zza h ALA 23 N 1.16 0.48 -0.06 1.87 0.00 0.22 0.36 119.26 123.30 1zza h ALA 23 Ca 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1zza h ALA 23 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1zza h ALA 23 CO -0.04 0.16 0.02 0.82 0.00 0.00 0.00 179.25 180.22 1zza h ILE 24 N 0.44 0.99 -0.48 0.00 1.08 0.10 0.46 117.51 120.10 1zza h ILE 24 Ca 0.11 -0.02 -0.00 0.00 -0.39 0.00 0.00 64.86 64.56 1zza h ILE 24 Cb 0.32 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 1zza h ILE 24 CO 0.00 0.01 0.28 0.00 -0.69 0.00 0.00 178.15 177.75 1zza h ALA 25 N 1.03 0.61 -0.59 1.87 0.00 -0.24 0.33 119.26 122.27 1zza h ALA 25 Ca 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1zza h ALA 25 Cb 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1zza h ALA 25 CO -0.02 0.11 0.32 0.00 0.00 0.00 0.00 179.25 179.66 1zza h ALA 26 N 1.13 0.76 -0.24 0.00 0.00 0.14 0.37 119.26 121.41 1zza h ALA 26 Ca 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1zza h ALA 26 Cb 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1zza h ALA 26 CO -0.03 0.28 0.10 1.25 0.00 0.00 0.00 179.25 180.85 1zza h LEU 27 N 0.80 0.34 -0.56 0.00 6.46 0.40 0.49 115.31 123.25 1zza h LEU 27 Ca 0.21 -0.17 0.02 0.00 -0.12 0.00 0.00 57.88 57.82 1zza h LEU 27 Cb 0.06 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 39.87 1zza h LEU 27 CO -0.03 0.41 0.36 1.23 -0.62 0.00 0.00 178.44 179.78 1zza h GLY 28 N 0.24 0.79 1.04 3.75 0.00 0.05 0.20 103.07 109.14 1zza h GLY 28 Ca 0.08 -0.27 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 1zza h GLY 28 CO -0.01 0.25 0.15 0.00 0.00 0.00 0.00 176.54 176.94 1zza h ALA 29 N 1.22 0.86 -0.64 3.60 0.00 0.08 0.22 119.26 124.61 1zza h ALA 29 Ca 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1zza h ALA 29 Cb -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1zza h ALA 29 CO -0.07 0.58 0.36 -0.07 0.00 0.00 0.00 179.25 180.05 1zza h LEU 30 N 0.97 0.78 -0.04 0.00 3.38 0.76 0.57 115.31 121.73 1zza h LEU 30 Ca 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1zza h LEU 30 Cb 0.37 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1zza h LEU 30 CO 0.00 0.64 -0.01 0.40 0.09 0.00 0.00 178.44 179.56 1zza h ILE 31 N 0.87 1.31 -0.83 1.22 2.04 -0.23 0.33 117.51 122.21 1zza h ILE 31 Ca 0.23 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 1zza h ILE 31 Cb 0.02 1.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 1zza h ILE 31 CO -0.04 0.26 0.44 0.25 0.00 0.00 0.00 178.15 179.06 1zza h LEU 32 N -0.30 1.04 -0.05 1.44 5.85 -0.37 0.25 115.31 123.18 1zza h LEU 32 Ca 0.01 -0.10 -0.20 0.00 0.84 0.00 0.00 57.88 58.44 1zza h LEU 32 Cb 0.42 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.20 1zza h LEU 32 CO 0.00 0.85 -0.74 1.23 -0.34 0.00 0.00 178.44 179.45 1zza h GLY 33 N 1.18 0.65 1.08 3.75 0.00 0.22 0.59 103.07 110.54 1zza h GLY 33 Ca 0.29 -1.04 -0.16 0.00 0.00 0.00 0.00 47.33 46.41 1zza h GLY 33 CO -0.04 0.92 -0.46 0.00 0.00 0.00 0.00 176.54 176.96 1zza n TRP 35 N -4.10 0.05 -1.28 0.00 -0.00 0.86 -4.81 117.44 108.16 1zza n TRP 35 Ca -0.04 0.02 0.17 0.00 -0.00 0.00 0.00 57.50 57.64 1zza n TRP 35 Cb 0.58 -0.20 -0.06 0.00 -0.00 0.00 0.00 31.31 31.63 1zza n TRP 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1zza h TYR 37 N -1.22 0.00 -0.29 0.00 5.03 -1.93 -3.34 116.97 115.21 1zza h TYR 37 Ca -0.05 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.26 1zza h TYR 37 Cb 1.20 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.48 1zza h TYR 37 CO -0.82 1.00 0.00 1.47 -1.32 0.00 0.00 178.16 178.49 1zza n LEU 38 N -3.27 2.92 -1.88 2.82 -0.00 -1.26 -4.97 117.00 111.37 1zza n LEU 38 Ca -0.05 -2.13 -0.14 0.00 -0.00 0.00 0.00 56.01 53.69 1zza n LEU 38 Cb 0.97 -0.24 -0.03 0.00 -0.00 0.00 0.00 43.42 44.11 1zza n LEU 38 CO 0.46 0.70 -0.15 0.54 -0.00 0.00 0.00 177.39 178.94 1zza n ARG 39 N 0.26 -1.69 -4.12 1.47 3.00 -1.16 -4.92 116.66 109.50 1zza n ARG 39 Ca 0.11 0.74 -0.11 0.00 -0.01 0.00 0.00 57.85 58.59 1zza n ARG 39 Cb 0.46 -5.16 -0.09 0.00 0.00 0.00 0.00 32.46 27.67 1zza n ARG 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1zza s LEU 40 N -4.68 1.13 -1.52 0.55 1.02 -1.26 -4.85 118.68 109.07 1zza s LEU 40 Ca 0.00 -1.19 -0.04 0.00 0.02 0.00 0.00 54.13 52.92 1zza s LEU 40 Cb 0.00 0.72 0.01 0.00 0.02 0.00 0.00 46.19 46.94 1zza s LEU 40 CO 0.00 -0.87 0.38 0.00 0.02 0.00 0.00 176.35 175.88 1zza n GLN 41 N -0.24 -3.62 0.15 1.70 6.02 -1.26 -4.74 117.38 115.39 1zza n GLN 41 Ca -0.02 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.81 1zza n GLN 41 Cb 0.64 -5.60 0.00 0.00 1.02 0.00 0.00 30.24 26.30 1zza n GLN 41 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1zza n ARG 42 N -3.61 0.00 -0.04 -1.09 3.00 -1.26 -4.52 116.66 109.14 1zza n ARG 42 Ca -0.13 0.00 0.17 0.00 -0.00 0.00 0.00 57.85 57.89 1zza n ARG 42 Cb 0.62 0.00 0.62 0.00 0.00 0.00 0.00 32.46 33.70 1zza n ARG 42 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.63 176.79 1zza h ILE 43 N 0.00 0.78 -3.53 5.15 3.07 -1.87 -3.46 117.51 117.64 1zza h ILE 43 Ca 0.00 -0.05 -0.14 0.00 1.55 0.00 0.00 64.86 66.22 1zza h ILE 43 Cb 0.00 0.62 0.07 0.00 -0.27 0.00 0.00 36.82 37.24 1zza h ILE 43 CO 0.00 0.03 -0.32 -0.24 -1.05 0.00 0.00 178.15 176.56 1zza n SER 44 N -4.42 -2.04 0.05 2.16 2.88 -1.26 -4.98 113.62 106.01 1zza n SER 44 Ca 0.10 -0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1zza n SER 44 Cb 0.54 -2.45 0.00 0.00 -0.75 0.00 0.00 64.21 61.54 1zza n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1zza n GLN 45 N -2.32 0.00 0.16 -1.46 1.13 -1.26 -4.83 117.38 108.80 1zza n GLN 45 Ca -0.12 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 54.99 1zza n GLN 45 Cb 0.57 -0.25 0.08 0.00 0.11 0.00 0.00 30.24 30.75 1zza n GLN 45 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1zza h SER 46 N 0.00 0.00 -1.28 1.08 4.64 -1.99 -3.46 113.55 112.54 1zza h SER 46 Ca 0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 1zza h SER 46 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 1zza h SER 46 CO 0.00 0.38 -0.22 -1.83 -0.87 0.00 0.00 176.83 174.29 1zza s GLU 47 N -3.05 2.71 -0.04 4.77 1.03 -1.26 -5.04 118.70 117.81 1zza s GLU 47 Ca 0.04 -1.34 -0.06 0.00 0.03 0.00 0.00 54.97 53.65 1zza s GLU 47 Cb 0.07 -2.73 -0.28 0.00 -0.80 0.00 0.00 34.13 30.39 1zza s GLU 47 CO 0.72 -0.41 0.67 -0.44 -1.33 0.00 0.00 175.26 174.48 1zza h ASP 48 N 0.53 0.45 -5.59 0.83 5.19 -1.88 -3.45 116.42 112.50 1zza h ASP 48 Ca -0.38 -0.73 -0.28 0.00 -0.62 0.00 0.00 57.03 55.03 1zza h ASP 48 Cb 1.28 -0.15 -0.11 0.00 0.18 0.00 0.00 39.33 40.53 1zza h ASP 48 CO 0.44 1.63 -0.37 -0.70 -3.12 0.00 0.00 179.24 177.11 1zza s GLU 49 N -2.59 1.62 -0.03 3.56 -6.30 -1.26 -5.01 118.70 108.68 1zza s GLU 49 Ca -0.14 -1.70 -0.00 0.00 -2.50 0.00 0.00 54.97 50.63 1zza s GLU 49 Cb 0.06 0.37 -0.00 0.00 0.00 0.00 0.00 34.13 34.56 1zza s GLU 49 CO 0.83 -0.62 -0.00 1.49 0.02 0.00 0.00 175.26 176.98 1zza h GLU 50 N 2.28 0.00 -0.33 4.30 4.57 -1.90 -3.42 114.58 120.09 1zza h GLU 50 Ca -0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1zza h GLU 50 Cb 1.24 0.00 -0.16 0.00 -0.16 0.00 0.00 28.75 29.68 1zza h GLU 50 CO 0.42 0.00 -0.18 -1.12 -1.18 0.00 0.00 179.01 176.94 1zza s SER 51 N -3.75 -0.48 0.00 1.04 0.01 -1.26 -4.58 113.70 104.67 1zza s SER 51 Ca -0.00 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.73 1zza s SER 51 Cb 0.00 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.86 1zza s SER 51 CO 0.00 -0.02 0.00 -0.38 0.41 0.00 0.00 173.24 173.25 1zza n ILE 52 N 2.81 0.00 -0.25 1.44 2.08 -1.26 -4.55 119.36 119.63 1zza n ILE 52 Ca 0.12 0.00 0.25 0.00 0.56 0.00 0.00 62.75 63.68 1zza n ILE 52 Cb 0.63 0.00 0.61 0.00 -0.75 0.00 0.00 39.64 40.13 1zza n ILE 52 CO 0.00 0.00 0.00 -0.37 0.56 0.00 0.00 176.55 176.74 1zza h VAL 53 N 0.00 0.56 0.00 1.39 -1.51 -1.99 -3.25 116.25 111.45 1zza h VAL 53 Ca 0.00 -0.07 -0.28 0.00 -1.23 0.00 0.00 66.70 65.11 1zza h VAL 53 Cb 0.00 0.32 0.02 0.00 -2.13 0.00 0.00 31.29 29.50 1zza h VAL 53 CO 0.00 0.04 1.98 0.61 -1.23 0.00 0.00 177.57 178.97 1zza n GLY 54 N -1.60 2.45 3.83 5.19 0.00 -1.26 -4.88 105.19 108.91 1zza n GLY 54 Ca 0.21 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.29 1zza n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1zza s ASP 55 N 4.26 6.94 0.00 1.61 1.01 -1.23 -4.79 116.67 124.48 1zza s ASP 55 Ca 0.29 1.34 0.00 0.00 0.71 0.00 0.00 52.55 54.89 1zza s ASP 55 Cb 0.07 -2.39 0.00 0.00 1.01 0.00 0.00 42.92 41.61 1zza s ASP 55 CO 0.01 -0.04 0.00 0.61 0.21 0.00 0.00 175.17 175.96 1zza n GLY 56 N 0.36 -0.41 0.30 0.21 0.00 -1.26 -4.98 105.19 99.40 1zza n GLY 56 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1zza n GLY 56 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1zza n GLU 57 N 0.00 0.48 -4.46 1.61 2.13 -1.26 -4.96 120.64 114.18 1zza n GLU 57 Ca 0.00 0.21 -0.30 0.00 0.66 0.00 0.00 57.16 57.73 1zza n GLU 57 Cb 0.00 -1.31 -0.17 0.00 0.27 0.00 0.00 31.44 30.24 1zza n GLU 57 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1zza s THR 58 N -2.44 1.75 0.10 6.31 2.01 -1.26 -5.10 115.64 117.01 1zza s THR 58 Ca -0.31 -0.78 -0.31 0.00 0.31 0.00 0.00 61.69 60.60 1zza s THR 58 Cb 0.12 -1.58 -0.08 0.00 0.01 0.00 0.00 72.50 70.97 1zza s THR 58 CO 0.40 0.49 1.40 -0.75 -0.69 0.00 0.00 174.62 175.47 1zza s LYS 59 N 1.00 4.31 -0.74 4.92 2.36 -1.26 -3.48 119.74 126.85 1zza s LYS 59 Ca -0.05 2.07 -0.03 0.00 -2.55 0.00 0.00 55.97 55.41 1zza s LYS 59 Cb -0.15 -3.30 -0.03 0.00 -1.05 0.00 0.00 37.83 33.29 1zza s LYS 59 CO -0.03 -0.47 0.67 0.39 1.55 0.00 0.00 175.35 177.45 1zza n GLU 60 N 4.20 -1.51 -0.49 4.03 4.71 -1.26 -4.81 120.64 125.52 1zza n GLU 60 Ca 0.12 0.93 -0.12 0.00 -0.01 0.00 0.00 57.16 58.08 1zza n GLU 60 Cb 0.42 -4.94 -0.04 0.00 -1.01 0.00 0.00 31.44 25.88 1zza n GLU 60 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1zza n PRO 61 N -2.39 1.24 -0.16 3.49 -0.04 -1.23 -4.58 135.00 131.34 1zza n PRO 61 Ca -0.03 -0.88 -0.04 0.00 -0.04 0.00 0.00 63.50 62.51 1zza n PRO 61 Cb 0.56 -2.07 0.05 0.00 -0.04 0.00 0.00 33.50 32.00 1zza n PRO 61 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1zza h PHE 62 N 5.94 0.42 -0.61 0.54 0.04 -1.93 -1.79 116.94 119.56 1zza h PHE 62 Ca 0.25 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 61.00 1zza h PHE 62 Cb 0.33 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 1zza h PHE 62 CO 1.71 0.19 0.22 -0.07 -0.60 0.00 0.00 178.31 179.77 1zza h LEU 63 N 0.46 0.82 0.83 1.54 3.38 -1.98 0.39 115.31 120.75 1zza h LEU 63 Ca 0.23 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1zza h LEU 63 Cb 0.17 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1zza h LEU 63 CO -0.18 0.75 -0.46 -0.07 0.09 0.00 0.00 178.44 178.57 1zza h LEU 64 N 0.88 -1.14 -1.03 1.67 4.07 -1.72 0.38 115.31 118.42 1zza h LEU 64 Ca 0.20 0.05 -0.08 0.00 0.08 0.00 0.00 57.88 58.14 1zza h LEU 64 Cb 0.20 0.32 -0.02 0.00 1.08 0.00 0.00 40.66 42.24 1zza h LEU 64 CO -0.02 -0.74 -0.16 -0.37 -1.08 0.00 0.00 178.44 176.07 1zza h VAL 65 N -1.20 1.24 -0.17 1.22 -1.51 -1.30 0.24 116.25 114.77 1zza h VAL 65 Ca -0.11 -1.10 -0.00 0.00 -1.23 0.00 0.00 66.70 64.25 1zza h VAL 65 Cb 0.94 1.20 -0.01 0.00 -2.13 0.00 0.00 31.29 31.30 1zza h VAL 65 CO 0.15 0.36 0.09 -0.61 -1.23 0.00 0.00 177.57 176.33 1zza h GLN 66 N 0.46 0.24 -0.10 5.19 5.75 0.05 0.13 115.11 126.83 1zza h GLN 66 Ca 0.08 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 1zza h GLN 66 Cb 0.55 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.05 1zza h GLN 66 CO 0.04 0.24 -0.00 -0.92 -2.65 0.00 0.00 178.83 175.53 1zza h TYR 67 N 0.17 0.19 -0.50 3.99 5.03 0.00 0.46 116.97 126.33 1zza h TYR 67 Ca 0.06 -0.03 0.13 0.00 2.58 0.00 0.00 58.73 61.47 1zza h TYR 67 Cb 0.07 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.28 1zza h TYR 67 CO -0.04 0.43 0.35 1.03 -1.32 0.00 0.00 178.16 178.62 1zza h SER 68 N -0.10 0.07 0.02 -2.11 0.87 -0.31 0.18 113.55 112.17 1zza h SER 68 Ca 0.03 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.28 1zza h SER 68 Cb 0.36 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 1zza h SER 68 CO 0.01 0.04 -1.73 0.00 -0.53 0.00 0.00 176.83 174.61 1zza n ALA 69 N -2.61 0.93 0.10 6.23 0.00 0.43 -4.24 120.51 121.34 1zza n ALA 69 Ca 0.09 -0.68 -0.13 0.00 0.00 0.00 0.00 53.44 52.72 1zza n ALA 69 Cb 0.52 -0.39 -0.07 0.00 0.00 0.00 0.00 19.45 19.51 1zza n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1zza h LYS 70 N -0.81 -0.18 -0.49 0.00 1.79 0.14 0.29 116.57 117.30 1zza h LYS 70 Ca -0.46 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.07 1zza h LYS 70 Cb 1.51 0.04 -0.07 0.00 -1.58 0.00 0.00 32.23 32.13 1zza h LYS 70 CO -0.22 -0.12 -0.40 0.78 -1.08 0.00 0.00 179.45 178.41 1zza h GLY 71 N -0.19 -1.36 1.08 3.86 0.00 -0.82 1.88 103.07 107.51 1zza h GLY 71 Ca -0.01 0.84 -0.10 0.00 0.00 0.00 0.00 47.33 48.06 1zza h GLY 71 CO 0.01 -0.30 0.00 -0.56 0.00 0.00 0.00 176.54 175.70 1zza h PRO 72 N -0.14 1.07 -0.32 4.80 0.13 -1.72 0.16 132.00 135.98 1zza h PRO 72 Ca 0.08 -0.34 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1zza h PRO 72 Cb 0.35 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.37 1zza h PRO 72 CO -0.54 1.04 0.16 0.00 -0.23 0.00 0.00 178.00 178.43 1zza h VAL 74 N 0.38 1.20 -0.95 0.00 2.07 0.30 -1.43 116.25 117.81 1zza h VAL 74 Ca 0.11 -0.58 0.08 0.00 0.82 0.00 0.00 66.70 67.13 1zza h VAL 74 Cb 0.11 1.56 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 1zza h VAL 74 CO -0.01 0.15 0.60 -0.08 0.02 0.00 0.00 177.57 178.25 1zza h GLU 75 N -0.21 1.03 0.25 1.57 4.57 -0.48 0.41 114.58 121.71 1zza h GLU 75 Ca 0.00 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1zza h GLU 75 Cb 0.25 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1zza h GLU 75 CO 0.00 0.68 -0.12 -0.09 -1.18 0.00 0.00 179.01 178.30 1zza h ARG 76 N 1.06 -0.32 -0.11 1.92 1.12 0.16 0.32 114.38 118.53 1zza h ARG 76 Ca 0.43 0.02 -0.08 0.00 -1.11 0.00 0.00 59.98 59.24 1zza h ARG 76 Cb 0.24 0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.26 1zza h ARG 76 CO -0.20 -0.08 -0.28 1.57 -3.11 0.00 0.00 179.97 177.87 1zza h LYS 77 N -0.52 0.20 -0.20 0.20 2.10 -0.89 0.45 116.57 117.92 1zza h LYS 77 Ca -0.03 -0.07 -0.03 0.00 -2.00 0.00 0.00 60.65 58.51 1zza h LYS 77 Cb 0.38 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 1zza h LYS 77 CO 0.06 0.47 -0.01 0.00 -2.00 0.00 0.00 179.45 177.97 1zza h ALA 78 N 1.53 0.27 -0.55 0.07 0.00 0.04 0.53 119.26 121.15 1zza h ALA 78 Ca 0.03 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1zza h ALA 78 Cb 0.60 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1zza h ALA 78 CO 0.04 -0.00 -0.02 0.87 0.00 0.00 0.00 179.25 180.14 1zza h LYS 79 N 0.10 0.99 -0.09 0.00 1.79 -0.02 0.56 116.57 119.91 1zza h LYS 79 Ca 0.05 -0.33 0.01 0.00 -2.18 0.00 0.00 60.65 58.20 1zza h LYS 79 Cb 0.42 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1zza h LYS 79 CO 0.01 1.00 0.04 1.25 -1.08 0.00 0.00 179.45 180.67 1zza h LEU 80 N 0.88 0.05 0.06 2.94 5.85 0.12 -3.25 115.31 121.96 1zza h LEU 80 Ca 0.15 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1zza h LEU 80 Cb 0.57 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1zza h LEU 80 CO 0.03 0.04 -0.03 -0.03 -0.34 0.00 0.00 178.44 178.12 1zza h MET 81 N 0.08 -0.07 -5.01 1.25 4.05 -0.80 -3.44 114.93 110.99 1zza h MET 81 Ca 0.04 0.01 -0.63 0.00 -0.28 0.00 0.00 59.70 58.83 1zza h MET 81 Cb 0.01 0.02 -0.17 0.00 -0.80 0.00 0.00 31.60 30.66 1zza h MET 81 CO -0.03 0.53 -0.54 0.99 0.23 0.00 0.00 176.91 178.10 1zza s THR 82 N -2.98 5.10 -1.00 -0.77 2.01 0.20 -4.96 115.64 113.24 1zza s THR 82 Ca -0.14 0.09 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1zza s THR 82 Cb -0.01 -3.39 0.00 0.00 0.01 0.00 0.00 72.50 69.11 1zza s THR 82 CO 0.55 0.32 0.28 -0.81 -0.69 0.00 0.00 174.62 174.27 1zza n PRO 83 N 4.61 0.55 -0.42 4.92 -0.04 -1.25 -3.97 135.00 139.40 1zza n PRO 83 Ca -0.15 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.27 1zza n PRO 83 Cb 0.52 -1.28 -0.05 0.00 -0.04 0.00 0.00 33.50 32.65 1zza n PRO 83 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1zza n ASN 84 N 0.22 2.87 0.00 3.54 4.13 -1.26 -4.22 115.26 120.53 1zza n ASN 84 Ca 0.00 -1.91 0.00 0.00 1.68 0.00 0.00 54.58 54.35 1zza n ASN 84 Cb 0.14 -0.70 0.00 0.00 -1.54 0.00 0.00 39.78 37.68 1zza n ASN 84 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1zza n GLY 85 N 2.28 0.36 0.00 7.41 0.00 -1.26 -5.01 105.19 108.97 1zza n GLY 85 Ca 0.13 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1zza n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1zza n PRO 86 N 0.00 -0.40 0.00 1.61 -0.04 -1.26 -2.72 135.00 132.19 1zza n PRO 86 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1zza n PRO 86 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1zza n PRO 86 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1zza n GLU 87 N -1.02 0.00 0.00 0.54 2.13 -1.26 -3.66 120.64 117.37 1zza n GLU 87 Ca 0.00 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.91 1zza n GLU 87 Cb 0.00 0.00 0.05 0.00 0.27 0.00 0.00 31.44 31.76 1zza n GLU 87 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1zza n VAL 88 N 0.00 0.00 0.02 6.31 0.24 -1.25 -4.44 118.33 119.21 1zza n VAL 88 Ca 0.00 -0.43 -0.21 0.00 -2.04 0.00 0.00 64.34 61.66 1zza n VAL 88 Cb 0.00 1.33 -0.14 0.00 -1.47 0.00 0.00 33.84 33.56 1zza n VAL 88 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1zza h HIS 89 N 3.11 0.48 -0.03 6.34 -0.00 -1.58 -3.37 115.15 120.10 1zza h HIS 89 Ca 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 60.37 60.02 1zza h HIS 89 Cb 0.73 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.13 1zza h HIS 89 CO 0.00 1.49 0.00 0.41 -0.00 0.00 0.00 177.93 179.83