#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 1.51 -4.24 1.61 3.41 -1.26 -4.97 113.62 109.68 1zza n SER 2 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1zza n SER 2 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1zza n SER 2 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1zza s MET 3 N -1.53 3.19 0.53 4.33 -1.94 -1.26 -4.91 119.30 117.70 1zza s MET 3 Ca 0.00 -2.47 0.30 0.00 -1.71 0.00 0.00 55.69 51.81 1zza s MET 3 Cb 0.00 -4.16 1.44 0.00 2.01 0.00 0.00 34.83 34.12 1zza s MET 3 CO 0.00 -1.25 1.90 0.66 -0.01 0.00 0.00 175.02 176.32 1zza h SER 4 N 7.52 0.04 -1.00 3.03 4.64 -2.00 0.92 113.55 126.69 1zza h SER 4 Ca 0.05 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.41 1zza h SER 4 Cb 1.01 -0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.04 1zza h SER 4 CO 0.75 0.01 0.65 0.16 -0.87 0.00 0.00 176.83 177.53 1zza h ILE 5 N 0.04 1.16 0.00 0.95 3.07 -2.04 -3.43 117.51 117.25 1zza h ILE 5 Ca 0.41 -0.43 0.00 0.00 1.55 0.00 0.00 64.86 66.39 1zza h ILE 5 Cb 1.58 -0.20 0.00 0.00 -0.27 0.00 0.00 36.82 37.92 1zza h ILE 5 CO -0.02 0.23 0.00 0.23 -1.05 0.00 0.00 178.15 177.54 1zza n MET 6 N -4.45 0.00 0.00 0.16 2.81 0.18 -4.84 117.12 110.99 1zza n MET 6 Ca 0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 1zza n MET 6 Cb 0.11 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.62 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 -1.77 0.00 -1.11 7.83 2.03 -0.42 -3.13 116.55 119.97 1zza n ASP 7 Ca 0.00 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.32 1zza n ASP 7 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1zza n ASP 7 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1zza n HIS 8 N 0.00 0.00 -1.07 -0.67 8.25 -1.26 -4.97 115.22 115.50 1zza n HIS 8 Ca 0.00 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 1zza n HIS 8 Cb 0.00 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.13 1zza n HIS 8 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1zza n SER 9 N 0.26 -5.77 0.24 0.41 2.88 -1.18 -3.91 113.62 106.55 1zza n SER 9 Ca -0.02 1.24 0.11 0.00 -1.33 0.00 0.00 58.87 58.87 1zza n SER 9 Cb 0.92 -3.11 0.58 0.00 -0.75 0.00 0.00 64.21 61.86 1zza n SER 9 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1zza h PRO 10 N 0.19 0.00 0.43 -1.46 0.13 -1.88 -3.11 132.00 126.30 1zza h PRO 10 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1zza h PRO 10 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1zza h PRO 10 CO 0.00 0.18 -0.21 1.79 -0.23 0.00 0.00 178.00 179.54 1zza h THR 11 N 0.00 0.58 -0.07 1.56 1.35 -2.00 -0.36 112.91 113.98 1zza h THR 11 Ca -0.00 -0.10 0.02 0.00 -0.55 0.00 0.00 66.41 65.78 1zza h THR 11 Cb 0.56 0.63 -0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1zza h THR 11 CO 0.02 0.02 0.05 0.74 -0.25 0.00 0.00 175.52 176.10 1zza h THR 12 N -0.63 0.98 0.37 6.82 2.02 -1.66 0.81 112.91 121.61 1zza h THR 12 Ca -0.06 -0.01 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1zza h THR 12 Cb 0.47 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1zza h THR 12 CO 0.10 0.00 -0.18 1.23 0.37 0.00 0.00 175.52 177.04 1zza h GLY 13 N 0.02 -0.51 1.75 2.16 0.00 -1.40 0.05 103.07 105.14 1zza h GLY 13 Ca 0.03 0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 1zza h GLY 13 CO -0.00 -0.19 0.08 -0.39 0.00 0.00 0.00 176.54 176.04 1zza h VAL 14 N -1.01 1.11 -0.25 4.60 -1.51 -0.83 -1.34 116.25 117.02 1zza h VAL 14 Ca -0.05 -0.35 -0.12 0.00 -1.23 0.00 0.00 66.70 64.95 1zza h VAL 14 Cb 0.51 0.84 -0.00 0.00 -2.13 0.00 0.00 31.29 30.51 1zza h VAL 14 CO 0.08 0.13 -0.31 0.58 -1.23 0.00 0.00 177.57 176.82 1zza h VAL 15 N 0.33 1.31 0.11 7.19 2.07 -0.84 -0.38 116.25 126.04 1zza h VAL 15 Ca 0.08 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1zza h VAL 15 Cb 0.10 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1zza h VAL 15 CO -0.01 0.47 -0.09 0.74 0.02 0.00 0.00 177.57 178.70 1zza h THR 16 N 0.36 0.79 -0.41 2.57 2.02 -0.34 0.23 112.91 118.13 1zza h THR 16 Ca 0.03 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.15 1zza h THR 16 Cb 0.88 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.06 1zza h THR 16 CO 0.07 0.00 -0.00 -0.37 0.37 0.00 0.00 175.52 175.59 1zza h VAL 17 N -0.22 1.22 -0.35 3.16 -1.51 -1.28 -0.24 116.25 117.03 1zza h VAL 17 Ca -0.00 -0.91 -0.07 0.00 -1.23 0.00 0.00 66.70 64.49 1zza h VAL 17 Cb 0.20 0.92 -0.01 0.00 -2.13 0.00 0.00 31.29 30.27 1zza h VAL 17 CO -0.02 0.32 -0.04 0.40 -1.23 0.00 0.00 177.57 177.00 1zza h ILE 18 N 0.62 1.27 -0.62 7.19 1.08 -0.54 0.39 117.51 126.89 1zza h ILE 18 Ca 0.13 -1.06 -0.04 0.00 -0.39 0.00 0.00 64.86 63.50 1zza h ILE 18 Cb 0.40 1.25 -0.03 0.00 -3.07 0.00 0.00 36.82 35.36 1zza h ILE 18 CO 0.02 0.35 0.25 0.58 -0.69 0.00 0.00 178.15 178.65 1zza h VAL 19 N 0.45 1.23 -0.10 1.67 2.07 -0.27 0.57 116.25 121.87 1zza h VAL 19 Ca 0.10 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1zza h VAL 19 Cb 0.52 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1zza h VAL 19 CO 0.03 0.29 0.03 0.40 0.02 0.00 0.00 177.57 178.33 1zza h ILE 20 N 0.87 1.19 -0.59 4.57 2.04 -0.78 0.19 117.51 125.00 1zza h ILE 20 Ca 0.21 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1zza h ILE 20 Cb 0.21 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1zza h ILE 20 CO -0.02 0.17 0.29 0.17 0.00 0.00 0.00 178.15 178.77 1zza h LEU 21 N -0.04 0.77 -0.50 1.44 8.10 0.02 0.26 115.31 125.37 1zza h LEU 21 Ca 0.03 -0.13 0.01 0.00 0.11 0.00 0.00 57.88 57.91 1zza h LEU 21 Cb 0.25 -0.20 -0.03 0.00 -0.44 0.00 0.00 40.66 40.24 1zza h LEU 21 CO 0.00 0.68 0.32 0.40 -4.11 0.00 0.00 178.44 175.73 1zza h ILE 22 N 0.81 1.10 -0.27 0.15 2.04 0.38 0.13 117.51 121.85 1zza h ILE 22 Ca 0.21 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 1zza h ILE 22 Cb 0.11 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1zza h ILE 22 CO -0.03 0.12 0.09 0.00 0.00 0.00 0.00 178.15 178.33 1zza h ALA 23 N 1.20 0.35 -0.40 1.87 0.00 -0.10 0.24 119.26 122.41 1zza h ALA 23 Ca 0.19 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1zza h ALA 23 Cb -0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1zza h ALA 23 CO -0.06 -0.03 0.19 0.82 0.00 0.00 0.00 179.25 180.17 1zza h ILE 24 N 0.27 0.95 -0.32 0.00 2.04 -0.08 0.30 117.51 120.68 1zza h ILE 24 Ca 0.09 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1zza h ILE 24 Cb 0.23 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1zza h ILE 24 CO -0.00 0.07 0.09 0.00 0.00 0.00 0.00 178.15 178.31 1zza h ALA 25 N 1.22 0.42 -0.43 1.87 0.00 -0.52 0.26 119.26 122.09 1zza h ALA 25 Ca 0.18 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1zza h ALA 25 Cb 0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1zza h ALA 25 CO -0.14 0.06 0.26 0.00 0.00 0.00 0.00 179.25 179.43 1zza h ALA 26 N 0.93 0.54 -0.18 0.00 0.00 -0.04 0.72 119.26 121.22 1zza h ALA 26 Ca 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1zza h ALA 26 Cb 0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1zza h ALA 26 CO -0.00 -0.06 0.10 1.25 0.00 0.00 0.00 179.25 180.53 1zza h LEU 27 N 0.52 0.22 -1.08 0.00 6.46 -0.17 0.45 115.31 121.71 1zza h LEU 27 Ca 0.17 -0.09 0.14 0.00 -0.12 0.00 0.00 57.88 57.98 1zza h LEU 27 Cb -0.00 -0.06 -0.09 0.00 -0.73 0.00 0.00 40.66 39.79 1zza h LEU 27 CO -0.07 0.25 0.62 1.23 -0.62 0.00 0.00 178.44 179.84 1zza h GLY 28 N 0.18 1.56 1.02 3.75 0.00 0.13 0.10 103.07 109.80 1zza h GLY 28 Ca 0.06 -0.38 -0.22 0.00 0.00 0.00 0.00 47.33 46.79 1zza h GLY 28 CO -0.01 0.10 -0.88 0.00 0.00 0.00 0.00 176.54 175.75 1zza h ALA 29 N 1.58 0.08 -0.59 3.60 0.00 -0.27 -0.91 119.26 122.74 1zza h ALA 29 Ca 0.50 -0.65 0.09 0.00 0.00 0.00 0.00 54.91 54.85 1zza h ALA 29 Cb 0.64 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 1zza h ALA 29 CO -0.27 0.54 0.22 -0.07 0.00 0.00 0.00 179.25 179.66 1zza h LEU 30 N 0.15 0.21 0.05 0.00 3.38 0.11 0.22 115.31 119.43 1zza h LEU 30 Ca -0.11 0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 1zza h LEU 30 Cb 1.56 0.06 0.02 0.00 0.09 0.00 0.00 40.66 42.39 1zza h LEU 30 CO 0.17 0.13 -0.71 0.16 0.09 0.00 0.00 178.44 178.28 1zza h ILE 31 N 0.39 1.44 -0.54 1.22 3.07 -0.90 -1.78 117.51 120.41 1zza h ILE 31 Ca 0.30 -2.23 0.05 0.00 1.55 0.00 0.00 64.86 64.52 1zza h ILE 31 Cb 0.36 2.77 -0.05 0.00 -0.27 0.00 0.00 36.82 39.63 1zza h ILE 31 CO -0.30 0.65 0.28 0.25 -1.05 0.00 0.00 178.15 177.97 1zza h LEU 32 N -0.14 0.40 0.44 0.16 6.46 -0.85 0.40 115.31 122.17 1zza h LEU 32 Ca -0.10 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 57.67 1zza h LEU 32 Cb 1.45 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.35 1zza h LEU 32 CO 0.14 0.27 -0.21 1.23 -0.62 0.00 0.00 178.44 179.25 1zza h GLY 33 N 0.53 -0.61 0.87 3.75 0.00 -0.63 0.39 103.07 107.37 1zza h GLY 33 Ca 0.24 0.23 0.09 0.00 0.00 0.00 0.00 47.33 47.89 1zza h GLY 33 CO -0.17 -0.22 0.52 0.00 0.00 0.00 0.00 176.54 176.67 1zza h TRP 35 N 0.76 -0.02 0.00 0.00 2.91 -0.07 0.40 115.95 119.94 1zza h TRP 35 Ca 0.36 -0.00 -0.09 0.00 1.13 0.00 0.00 58.89 60.29 1zza h TRP 35 Cb 0.39 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.03 1zza h TRP 35 CO -0.00 0.78 -0.44 0.00 -1.03 0.00 0.00 178.44 177.75 1zza n TYR 37 N -3.44 0.80 0.00 0.00 9.36 0.20 -4.83 117.16 119.25 1zza n TYR 37 Ca 0.00 0.35 0.00 0.00 3.32 0.00 0.00 57.90 61.57 1zza n TYR 37 Cb 0.59 -1.07 0.00 0.00 -0.63 0.00 0.00 39.34 38.23 1zza n TYR 37 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1zza n LEU 38 N -4.40 0.01 0.00 2.98 7.94 -0.70 -5.05 117.00 117.78 1zza n LEU 38 Ca -0.36 0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.59 1zza n LEU 38 Cb 0.71 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 44.17 1zza n LEU 38 CO 0.15 -0.49 0.00 -1.14 -1.11 0.00 0.00 177.39 174.80 1zza n ARG 39 N -2.43 0.00 -1.10 1.96 3.00 0.13 -4.95 116.66 113.27 1zza n ARG 39 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.99 1zza n ARG 39 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.41 1zza n ARG 39 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1zza n LEU 40 N 0.00 -0.67 -3.21 6.15 7.94 -1.23 -4.21 117.00 121.77 1zza n LEU 40 Ca 0.00 1.53 -0.23 0.00 -1.11 0.00 0.00 56.01 56.20 1zza n LEU 40 Cb 0.00 -3.56 0.01 0.00 0.53 0.00 0.00 43.42 40.40 1zza n LEU 40 CO 0.00 -2.30 -0.03 0.00 -1.11 0.00 0.00 177.39 173.95 1zza n GLN 41 N -3.88 -3.95 -0.08 1.96 1.13 -1.26 -4.87 117.38 106.43 1zza n GLN 41 Ca -0.03 0.64 -0.21 0.00 -1.94 0.00 0.00 57.00 55.46 1zza n GLN 41 Cb 0.51 -5.41 -0.12 0.00 0.11 0.00 0.00 30.24 25.34 1zza n GLN 41 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1zza h ARG 42 N -1.11 0.04 0.00 -1.09 9.65 -1.95 -3.34 114.38 116.57 1zza h ARG 42 Ca -0.46 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.35 1zza h ARG 42 Cb 1.32 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.92 1zza h ARG 42 CO 0.54 1.03 0.00 0.97 2.80 0.00 0.00 179.97 185.31 1zza h ILE 43 N -0.87 0.00 -3.33 1.20 -0.00 -2.03 -3.43 117.51 109.06 1zza h ILE 43 Ca -0.31 -0.22 0.00 0.00 -0.00 0.00 0.00 64.86 64.33 1zza h ILE 43 Cb 1.36 0.97 0.00 0.00 -0.00 0.00 0.00 36.82 39.15 1zza h ILE 43 CO -0.14 0.00 0.00 -0.24 -0.00 0.00 0.00 178.15 177.77 1zza n SER 44 N -2.47 0.00 -4.77 2.19 2.88 -1.25 -5.15 113.62 105.04 1zza n SER 44 Ca 0.01 -0.34 -0.32 0.00 -1.33 0.00 0.00 58.87 56.88 1zza n SER 44 Cb 0.19 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.58 1zza n SER 44 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1zza s GLN 45 N 1.26 2.20 -1.07 -1.46 -1.52 -1.26 -4.86 119.66 112.94 1zza s GLN 45 Ca 0.00 -2.34 -0.07 0.00 -1.95 0.00 0.00 55.36 51.00 1zza s GLN 45 Cb 0.00 -1.61 -0.06 0.00 -0.22 0.00 0.00 33.01 31.12 1zza s GLN 45 CO 0.00 -0.38 0.91 0.45 -0.25 0.00 0.00 175.29 176.02 1zza n SER 46 N -1.31 -6.15 -4.80 5.90 2.88 -1.26 -4.97 113.62 103.91 1zza n SER 46 Ca -0.16 -0.73 -0.33 0.00 -1.33 0.00 0.00 58.87 56.32 1zza n SER 46 Cb 0.67 -5.05 0.00 0.00 -0.75 0.00 0.00 64.21 59.08 1zza n SER 46 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1zza s GLU 47 N -4.61 3.41 0.31 -1.46 2.02 -1.26 -5.06 118.70 112.04 1zza s GLU 47 Ca 0.42 1.22 -0.16 0.00 0.02 0.00 0.00 54.97 56.47 1zza s GLU 47 Cb -0.06 -2.04 0.02 0.00 0.10 0.00 0.00 34.13 32.15 1zza s GLU 47 CO 0.75 -0.74 0.67 0.34 0.02 0.00 0.00 175.26 176.30 1zza s ASP 48 N -2.67 -0.05 0.37 -0.19 -1.08 -1.26 -5.04 116.67 106.75 1zza s ASP 48 Ca 0.64 -0.90 0.09 0.00 -0.52 0.00 0.00 52.55 51.86 1zza s ASP 48 Cb -0.16 0.73 0.72 0.00 -1.46 0.00 0.00 42.92 42.75 1zza s ASP 48 CO 0.34 -1.40 1.87 -0.33 0.52 0.00 0.00 175.17 176.17 1zza h GLU 49 N 2.06 0.22 0.00 4.34 5.08 -1.96 -3.47 114.58 120.85 1zza h GLU 49 Ca -0.25 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1zza h GLU 49 Cb 1.25 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1zza h GLU 49 CO 0.32 0.42 0.00 -1.91 -1.00 0.00 0.00 179.01 176.83 1zza n GLU 50 N -4.22 0.00 0.07 2.33 0.00 -1.26 -4.56 120.64 113.00 1zza n GLU 50 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 1zza n GLU 50 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.75 1zza n GLU 50 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 1zza n SER 51 N -0.83 -0.52 0.10 4.31 3.41 -1.26 -4.79 113.62 114.05 1zza n SER 51 Ca 0.00 0.25 -0.17 0.00 -0.26 0.00 0.00 58.87 58.68 1zza n SER 51 Cb 0.00 0.63 -0.12 0.00 -0.26 0.00 0.00 64.21 64.46 1zza n SER 51 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1zza h ILE 52 N 0.00 1.43 0.31 -1.33 3.07 -1.98 -3.34 117.51 115.67 1zza h ILE 52 Ca 0.00 -2.85 -0.02 0.00 1.55 0.00 0.00 64.86 63.55 1zza h ILE 52 Cb 0.00 2.85 0.00 0.00 -0.27 0.00 0.00 36.82 39.40 1zza h ILE 52 CO 0.00 0.84 -0.15 0.58 -1.05 0.00 0.00 178.15 178.37 1zza h VAL 53 N 0.13 0.65 0.00 0.16 2.07 -1.99 -3.46 116.25 113.80 1zza h VAL 53 Ca -0.15 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1zza h VAL 53 Cb 1.93 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1zza h VAL 53 CO 0.21 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.53 1zza n GLY 54 N -0.14 1.86 1.11 2.17 0.00 -1.26 -4.94 105.19 103.99 1zza n GLY 54 Ca -0.09 -0.20 0.14 0.00 0.00 0.00 0.00 46.02 45.87 1zza n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zza n ASP 55 N 3.49 -6.17 -2.59 1.61 2.03 -1.26 -4.81 116.55 108.84 1zza n ASP 55 Ca 0.00 1.04 -0.12 0.00 0.52 0.00 0.00 54.79 56.23 1zza n ASP 55 Cb 0.00 -3.75 0.03 0.00 -0.72 0.00 0.00 41.12 36.68 1zza n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1zza n GLY 56 N -3.82 3.09 2.90 0.27 0.00 -1.26 -4.90 105.19 101.46 1zza n GLY 56 Ca -0.06 -1.68 -0.19 0.00 0.00 0.00 0.00 46.02 44.09 1zza n GLY 56 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1zza n GLU 57 N -0.38 -4.73 -0.99 1.61 -0.58 -1.26 -4.88 120.64 109.43 1zza n GLU 57 Ca 0.19 0.73 -0.13 0.00 -0.42 0.00 0.00 57.16 57.53 1zza n GLU 57 Cb 0.81 -5.26 -0.10 0.00 -0.57 0.00 0.00 31.44 26.31 1zza n GLU 57 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1zza n THR 58 N -4.36 2.86 -3.75 2.62 -1.04 -1.26 -4.84 114.28 104.50 1zza n THR 58 Ca -0.06 -1.60 -0.07 0.00 -2.04 0.00 0.00 64.05 60.28 1zza n THR 58 Cb 0.59 -1.78 -0.01 0.00 -1.82 0.00 0.00 70.33 67.30 1zza n THR 58 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1zza n LYS 59 N 1.86 0.36 -3.57 -2.82 0.00 -1.26 -5.10 118.16 107.63 1zza n LYS 59 Ca 0.35 -1.30 -0.27 0.00 -0.00 0.00 0.00 58.31 57.09 1zza n LYS 59 Cb 0.75 1.29 -0.10 0.00 -0.00 0.00 0.00 35.03 36.98 1zza n LYS 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1zza n GLU 60 N -0.27 1.87 -0.02 -1.58 1.02 -1.26 -4.82 120.64 115.58 1zza n GLU 60 Ca -0.00 -4.32 -0.16 0.00 -0.02 0.00 0.00 57.16 52.66 1zza n GLU 60 Cb 0.28 -2.10 -0.11 0.00 -0.02 0.00 0.00 31.44 29.49 1zza n GLU 60 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1zza h PRO 61 N 4.72 0.26 0.00 3.49 0.13 -1.96 -3.43 132.00 135.22 1zza h PRO 61 Ca 0.17 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1zza h PRO 61 Cb 0.74 0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1zza h PRO 61 CO 0.71 0.95 0.00 0.34 -0.23 0.00 0.00 178.00 179.78 1zza n PHE 62 N -4.43 -2.45 -0.10 1.56 7.35 -1.26 -4.90 117.46 113.23 1zza n PHE 62 Ca -0.10 0.33 -0.07 0.00 -0.76 0.00 0.00 57.45 56.85 1zza n PHE 62 Cb 0.54 1.12 0.00 0.00 0.35 0.00 0.00 39.48 41.49 1zza n PHE 62 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1zza h LEU 63 N 0.00 0.25 -1.09 -2.13 3.38 -1.98 0.26 115.31 114.01 1zza h LEU 63 Ca 0.00 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1zza h LEU 63 Cb 0.00 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1zza h LEU 63 CO 0.00 0.19 0.62 -0.07 0.09 0.00 0.00 178.44 179.27 1zza h LEU 64 N 0.36 1.04 -0.32 1.67 3.38 -1.93 0.08 115.31 119.59 1zza h LEU 64 Ca 0.14 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1zza h LEU 64 Cb 0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1zza h LEU 64 CO -0.10 0.73 -0.10 0.58 0.09 0.00 0.00 178.44 179.64 1zza h VAL 65 N 1.22 1.28 -0.62 1.22 2.07 -1.61 0.34 116.25 120.15 1zza h VAL 65 Ca 0.36 -1.17 0.07 0.00 0.82 0.00 0.00 66.70 66.78 1zza h VAL 65 Cb -0.05 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 1zza h VAL 65 CO -0.10 0.38 0.31 -0.61 0.02 0.00 0.00 177.57 177.57 1zza h GLN 66 N 0.39 0.55 -0.01 1.57 4.15 0.35 0.66 115.11 122.77 1zza h GLN 66 Ca 0.08 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1zza h GLN 66 Cb 0.61 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1zza h GLN 66 CO 0.04 0.36 -0.05 1.88 -1.93 0.00 0.00 178.83 179.13 1zza h TYR 67 N 0.56 0.06 -0.34 3.99 0.05 -0.83 -0.56 116.97 119.90 1zza h TYR 67 Ca 0.29 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 59.00 1zza h TYR 67 Cb 0.25 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.96 1zza h TYR 67 CO -0.11 0.76 0.05 0.66 -1.05 0.00 0.00 178.16 178.47 1zza h SER 68 N -0.65 0.47 0.15 3.88 4.64 -0.13 0.22 113.55 122.14 1zza h SER 68 Ca -0.00 -0.07 -0.22 0.00 -0.47 0.00 0.00 61.79 61.03 1zza h SER 68 Cb 0.77 -0.12 0.02 0.00 -0.31 0.00 0.00 62.40 62.76 1zza h SER 68 CO 0.01 0.50 -0.94 0.00 -0.87 0.00 0.00 176.83 175.52 1zza h ALA 69 N 1.57 -0.09 -0.08 5.18 0.00 0.27 -3.32 119.26 122.80 1zza h ALA 69 Ca 0.11 -0.72 -0.10 0.00 0.00 0.00 0.00 54.91 54.20 1zza h ALA 69 Cb 0.24 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1zza h ALA 69 CO 0.00 0.45 -0.41 1.57 0.00 0.00 0.00 179.25 180.85 1zza h LYS 70 N -0.23 0.17 -0.14 0.00 2.10 -0.94 -0.95 116.57 116.58 1zza h LYS 70 Ca -0.16 -0.08 0.02 0.00 -2.00 0.00 0.00 60.65 58.43 1zza h LYS 70 Cb 1.73 -0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.02 1zza h LYS 70 CO 0.18 0.56 -0.33 0.78 -2.00 0.00 0.00 179.45 178.63 1zza h GLY 71 N 1.24 -1.32 1.06 0.07 0.00 -0.65 1.77 103.07 105.23 1zza h GLY 71 Ca 0.01 0.71 -0.12 0.00 0.00 0.00 0.00 47.33 47.93 1zza h GLY 71 CO 0.06 -0.36 -0.21 -0.56 0.00 0.00 0.00 176.54 175.47 1zza h PRO 72 N -0.32 0.89 -0.71 4.80 0.13 -1.69 0.40 132.00 135.51 1zza h PRO 72 Ca 0.03 -0.39 0.08 0.00 -0.87 0.00 0.00 66.00 64.84 1zza h PRO 72 Cb 0.40 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.44 1zza h PRO 72 CO -0.30 1.04 0.38 0.00 -0.23 0.00 0.00 178.00 178.89 1zza h VAL 74 N 0.67 1.43 -0.79 0.00 2.07 0.28 0.05 116.25 119.96 1zza h VAL 74 Ca 0.33 -1.89 0.12 0.00 0.82 0.00 0.00 66.70 66.08 1zza h VAL 74 Cb 0.28 2.45 -0.08 0.00 -1.52 0.00 0.00 31.29 32.41 1zza h VAL 74 CO -0.22 0.55 0.40 -0.08 0.02 0.00 0.00 177.57 178.23 1zza h GLU 75 N -0.13 0.61 -0.16 1.57 4.22 0.39 0.43 114.58 121.50 1zza h GLU 75 Ca -0.04 -0.04 -0.10 0.00 0.08 0.00 0.00 59.36 59.26 1zza h GLU 75 Cb 1.12 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1zza h GLU 75 CO 0.09 0.41 -0.28 0.00 -2.18 0.00 0.00 179.01 177.05 1zza h ARG 76 N 0.63 0.47 -0.98 1.92 -0.00 -0.12 0.12 114.38 116.42 1zza h ARG 76 Ca 0.41 -0.29 0.05 0.00 -0.50 0.00 0.00 59.98 59.65 1zza h ARG 76 Cb 0.49 0.03 -0.06 0.00 0.00 0.00 0.00 29.97 30.43 1zza h ARG 76 CO -0.31 0.89 0.64 0.87 0.00 0.00 0.00 179.97 182.06 1zza h LYS 77 N 0.10 1.15 -0.07 0.04 1.79 0.19 0.42 116.57 120.19 1zza h LYS 77 Ca 0.01 -0.07 -0.22 0.00 -2.18 0.00 0.00 60.65 58.20 1zza h LYS 77 Cb 0.86 -0.26 0.01 0.00 -1.58 0.00 0.00 32.23 31.26 1zza h LYS 77 CO 0.06 0.76 -0.80 0.00 -1.08 0.00 0.00 179.45 178.40 1zza h ALA 78 N 1.43 0.19 -0.40 3.86 0.00 -0.14 -1.06 119.26 123.13 1zza h ALA 78 Ca 0.41 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1zza h ALA 78 Cb 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1zza h ALA 78 CO -0.15 0.58 0.05 0.87 0.00 0.00 0.00 179.25 180.60 1zza h LYS 79 N 0.33 0.68 -0.44 0.00 1.57 -0.50 0.41 116.57 118.62 1zza h LYS 79 Ca -0.08 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.42 1zza h LYS 79 Cb 1.45 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 1zza h LYS 79 CO 0.16 0.74 -0.06 1.25 -0.57 0.00 0.00 179.45 180.98 1zza h LEU 80 N 0.53 0.81 -0.20 2.94 5.85 -0.22 -3.06 115.31 121.96 1zza h LEU 80 Ca 0.12 -0.34 -0.08 0.00 0.84 0.00 0.00 57.88 58.42 1zza h LEU 80 Cb 0.41 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1zza h LEU 80 CO 0.01 0.96 -0.18 -0.03 -0.34 0.00 0.00 178.44 178.86 1zza h MET 81 N 0.65 0.48 -4.60 1.25 4.05 -1.06 -3.40 114.93 112.30 1zza h MET 81 Ca 0.12 -0.24 -0.65 0.00 -0.28 0.00 0.00 59.70 58.64 1zza h MET 81 Cb 0.57 0.00 -0.39 0.00 -0.80 0.00 0.00 31.60 30.99 1zza h MET 81 CO 0.03 0.81 -0.75 0.95 0.23 0.00 0.00 176.91 178.19 1zza s THR 82 N -4.38 2.05 -1.41 -0.77 -4.23 0.14 -4.98 115.64 102.07 1zza s THR 82 Ca -0.13 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 1zza s THR 82 Cb 0.07 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1zza s THR 82 CO 0.78 -0.42 0.47 -0.81 -0.54 0.00 0.00 174.62 174.09 1zza n PRO 83 N 4.39 0.66 -0.69 3.99 -0.04 -1.16 -4.27 135.00 137.88 1zza n PRO 83 Ca -0.02 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.35 1zza n PRO 83 Cb 0.42 -1.19 -0.11 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.11 3.62 -3.46 3.54 4.13 -1.26 -4.55 115.26 117.18 1zza n ASN 84 Ca 0.00 -2.17 -0.11 0.00 1.68 0.00 0.00 54.58 53.98 1zza n ASN 84 Cb 0.10 -0.98 -0.02 0.00 -1.54 0.00 0.00 39.78 37.34 1zza n ASN 84 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1zza s GLY 85 N 2.33 -0.55 0.27 7.41 0.00 -1.26 -5.11 107.32 110.41 1zza s GLY 85 Ca 0.46 0.63 -0.05 0.00 0.00 0.00 0.00 44.72 45.76 1zza s GLY 85 CO -0.00 0.21 0.27 -1.55 0.00 0.00 0.00 173.10 172.02 1zza n PRO 86 N -0.34 -1.25 0.00 2.90 -0.04 -1.26 -2.10 135.00 132.90 1zza n PRO 86 Ca -0.14 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 62.90 1zza n PRO 86 Cb 0.64 -0.37 0.00 0.00 -0.04 0.00 0.00 33.50 33.73 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 -2.15 0.00 0.05 0.54 2.13 -1.26 -3.71 120.64 116.24 1zza n GLU 87 Ca 0.04 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.69 1zza n GLU 87 Cb 0.14 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.70 1zza n GLU 87 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1zza h VAL 88 N 0.00 1.06 0.00 6.31 2.07 -1.94 -3.47 116.25 120.28 1zza h VAL 88 Ca 0.00 -2.72 0.00 0.00 0.82 0.00 0.00 66.70 64.80 1zza h VAL 88 Cb 0.00 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1zza h VAL 88 CO 0.00 0.80 0.00 1.41 0.02 0.00 0.00 177.57 179.80 1zza n HIS 89 N -3.43 0.00 0.00 1.57 8.25 -0.89 -5.08 115.22 115.63 1zza n HIS 89 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1zza n HIS 89 Cb 1.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.16 1zza n HIS 89 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39