#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zzf s THR 2 N 0.00 -0.59 0.36 2.03 -4.23 -1.17 -4.97 115.64 107.07 1zzf s THR 2 Ca 0.00 0.17 -0.25 0.00 -1.18 0.00 0.00 61.69 60.44 1zzf s THR 2 Cb 0.00 -0.64 -0.10 0.00 1.34 0.00 0.00 72.50 73.10 1zzf s THR 2 CO 0.00 0.07 0.96 -2.16 -0.54 0.00 0.00 174.62 172.95 1zzf s PRO 3 N 2.53 4.45 0.12 3.99 0.04 -1.26 -3.02 135.00 141.85 1zzf s PRO 3 Ca -0.02 1.31 0.01 0.00 0.04 0.00 0.00 61.00 62.34 1zzf s PRO 3 Cb -0.12 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 1zzf s PRO 3 CO -0.12 0.15 -0.03 0.96 0.04 0.00 0.00 177.00 178.00 1zzf s ILE 4 N -1.75 0.59 0.19 0.56 -4.36 -1.00 -1.67 121.20 113.76 1zzf s ILE 4 Ca 0.54 -1.94 0.08 0.00 -0.26 0.00 0.00 60.65 59.07 1zzf s ILE 4 Cb -0.17 -1.86 -0.04 0.00 1.25 0.00 0.00 42.46 41.64 1zzf s ILE 4 CO 0.22 -0.70 -0.16 -0.69 0.24 0.00 0.00 174.94 173.85 1zzf s VAL 5 N -3.70 1.78 -0.12 8.37 1.01 -0.35 -2.63 120.40 124.76 1zzf s VAL 5 Ca 0.17 -2.10 0.01 0.00 0.00 0.00 0.00 61.98 60.06 1zzf s VAL 5 Cb 0.06 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.50 1zzf s VAL 5 CO -0.01 -0.48 -0.12 -1.00 0.00 0.00 0.00 175.10 173.48 1zzf s HIS 6 N -2.60 1.83 -0.36 5.22 3.76 -0.65 -2.46 115.29 120.02 1zzf s HIS 6 Ca 0.20 -0.93 -0.05 0.00 -0.15 0.00 0.00 55.06 54.13 1zzf s HIS 6 Cb -0.03 -1.39 0.06 0.00 1.11 0.00 0.00 32.58 32.34 1zzf s HIS 6 CO 0.07 -0.53 0.14 -0.51 -0.85 0.00 0.00 174.74 173.05 1zzf s LEU 7 N 1.36 4.60 -0.06 0.89 1.02 -1.18 -2.65 118.68 122.65 1zzf s LEU 7 Ca 0.00 -1.42 0.01 0.00 0.02 0.00 0.00 54.13 52.74 1zzf s LEU 7 Cb -0.14 -1.85 -0.03 0.00 0.02 0.00 0.00 46.19 44.19 1zzf s LEU 7 CO -0.06 -0.40 -0.05 -0.75 0.02 0.00 0.00 176.35 175.11 1zzf s LYS 8 N 1.33 2.78 0.00 1.70 2.20 -1.13 -2.55 119.74 124.07 1zzf s LYS 8 Ca 0.01 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 1zzf s LYS 8 Cb -0.21 -2.63 0.00 0.00 -1.51 0.00 0.00 37.83 33.48 1zzf s LYS 8 CO 0.00 0.66 0.00 0.41 -0.36 0.00 0.00 175.35 176.07 1zzf n GLY 9 N 2.06 -0.61 3.72 5.54 0.00 -1.13 -0.56 105.19 114.20 1zzf n GLY 9 Ca -0.18 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1zzf n GLY 9 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1zzf s ASP 10 N -4.00 7.40 0.44 1.61 1.01 -1.25 -2.63 116.67 119.25 1zzf s ASP 10 Ca 0.00 1.71 0.13 0.00 0.71 0.00 0.00 52.55 55.10 1zzf s ASP 10 Cb 0.00 -2.58 0.98 0.00 1.01 0.00 0.00 42.92 42.34 1zzf s ASP 10 CO 0.00 -0.21 2.00 0.00 0.21 0.00 0.00 175.17 177.17 1zzf h ALA 11 N 6.45 1.70 -0.50 5.23 0.00 -1.82 -1.73 119.26 128.59 1zzf h ALA 11 Ca -0.42 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1zzf h ALA 11 Cb 1.22 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1zzf h ALA 11 CO 0.74 0.23 0.31 -0.97 0.00 0.00 0.00 179.25 179.56 1zzf h ASN 12 N 0.07 0.59 0.03 0.00 -0.73 -1.92 -0.07 115.58 113.54 1zzf h ASN 12 Ca 0.01 -0.05 -0.23 0.00 1.87 0.00 0.00 56.30 57.91 1zzf h ASN 12 Cb 0.28 -0.15 0.01 0.00 0.27 0.00 0.00 38.32 38.73 1zzf h ASN 12 CO 0.02 0.46 -0.87 0.71 -0.37 0.00 0.00 177.43 177.38 1zzf h THR 13 N 0.67 1.31 -0.66 -3.57 1.35 -1.88 -3.09 112.91 107.04 1zzf h THR 13 Ca 0.18 -2.14 -0.00 0.00 -0.55 0.00 0.00 66.41 63.89 1zzf h THR 13 Cb -0.03 2.17 -0.03 0.00 -1.73 0.00 0.00 68.15 68.53 1zzf h THR 13 CO -0.04 0.66 0.40 -0.07 -0.25 0.00 0.00 175.52 176.23 1zzf h LEU 14 N 0.42 0.79 -0.90 3.87 3.38 -1.06 -0.73 115.31 121.08 1zzf h LEU 14 Ca -0.07 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1zzf h LEU 14 Cb 1.50 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 42.00 1zzf h LEU 14 CO 0.17 0.62 0.55 0.50 0.09 0.00 0.00 178.44 180.36 1zzf h LYS 15 N 0.90 1.21 -0.18 1.13 3.11 -1.03 -0.94 116.57 120.76 1zzf h LYS 15 Ca 0.24 -0.11 -0.13 0.00 -2.81 0.00 0.00 60.65 57.84 1zzf h LYS 15 Cb -0.03 -0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 30.93 1zzf h LYS 15 CO -0.05 0.84 -0.46 0.00 -2.81 0.00 0.00 179.45 176.98 1zzf h LEU 17 N 0.37 0.87 -1.01 0.00 3.38 -0.57 -3.00 115.31 115.36 1zzf h LEU 17 Ca 0.02 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.63 1zzf h LEU 17 Cb 0.95 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 1zzf h LEU 17 CO 0.08 1.13 0.66 0.03 0.09 0.00 0.00 178.44 180.43 1zzf h ARG 18 N 0.70 1.33 -0.96 1.13 2.47 -1.09 -1.96 114.38 115.99 1zzf h ARG 18 Ca 0.07 -0.08 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1zzf h ARG 18 Cb 0.89 -0.30 -0.05 0.00 -1.65 0.00 0.00 29.97 28.86 1zzf h ARG 18 CO 0.08 0.88 0.59 -0.92 0.56 0.00 0.00 179.97 181.16 1zzf h TYR 19 N 1.36 1.26 0.00 3.04 5.03 -1.41 -1.92 116.97 124.33 1zzf h TYR 19 Ca 0.37 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.58 1zzf h TYR 19 Cb -0.15 -0.41 -0.01 0.00 1.55 0.00 0.00 36.73 37.70 1zzf h TYR 19 CO 0.00 0.83 -0.45 -0.09 -1.32 0.00 0.00 178.16 177.13 1zzf h ARG 20 N 1.32 0.00 0.00 1.82 2.43 -1.29 -2.67 114.38 116.00 1zzf h ARG 20 Ca 0.35 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1zzf h ARG 20 Cb -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1zzf h ARG 20 CO -0.07 0.45 0.00 1.19 -1.51 0.00 0.00 179.97 180.03 1zzf n PHE 21 N -3.98 0.23 -0.29 2.20 3.72 -0.76 -3.77 117.46 114.80 1zzf n PHE 21 Ca -0.02 0.07 0.03 0.00 -0.05 0.00 0.00 57.45 57.49 1zzf n PHE 21 Cb 0.48 -0.61 0.17 0.00 -0.94 0.00 0.00 39.48 38.57 1zzf n PHE 21 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1zzf h LYS 22 N 0.00 0.76 0.00 -1.08 1.57 -1.09 0.28 116.57 117.02 1zzf h LYS 22 Ca 0.00 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1zzf h LYS 22 Cb 0.53 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1zzf h LYS 22 CO 0.00 0.50 -0.18 1.57 -0.57 0.00 0.00 179.45 180.77 1zzf h LYS 23 N 0.79 0.00 -2.03 3.15 2.10 -1.77 -2.99 116.57 115.80 1zzf h LYS 23 Ca 0.40 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.50 1zzf h LYS 23 Cb 0.39 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 31.53 1zzf h LYS 23 CO -0.26 0.18 0.61 0.72 -2.00 0.00 0.00 179.45 178.71 1zzf n HIS 24 N -3.95 1.88 0.31 0.07 8.25 0.09 -4.63 115.22 117.23 1zzf n HIS 24 Ca -0.02 -2.05 0.18 0.00 -0.26 0.00 0.00 57.72 55.57 1zzf n HIS 24 Cb 0.27 -1.37 0.99 0.00 1.12 0.00 0.00 29.99 31.00 1zzf n HIS 24 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1zzf n THR 26 N -3.46 2.01 -0.36 0.00 -2.24 -1.26 -4.05 114.28 104.91 1zzf n THR 26 Ca -0.03 -1.02 0.05 0.00 -2.27 0.00 0.00 64.05 60.79 1zzf n THR 26 Cb 0.12 -0.48 0.14 0.00 -2.10 0.00 0.00 70.33 68.01 1zzf n THR 26 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1zzf n LEU 27 N 0.04 2.87 -3.50 3.22 4.32 -0.66 -5.03 117.00 118.26 1zzf n LEU 27 Ca 0.26 -2.28 -0.10 0.00 -0.02 0.00 0.00 56.01 53.87 1zzf n LEU 27 Cb 1.01 -0.26 -0.03 0.00 -1.62 0.00 0.00 43.42 42.53 1zzf n LEU 27 CO 0.28 0.67 0.62 -0.72 -1.22 0.00 0.00 177.39 177.02 1zzf s TYR 28 N -1.50 -0.41 -0.01 -1.77 -0.85 -1.26 -4.84 117.35 106.71 1zzf s TYR 28 Ca 0.22 0.35 -0.15 0.00 -0.52 0.00 0.00 57.07 56.97 1zzf s TYR 28 Cb 0.15 0.52 -0.33 0.00 0.38 0.00 0.00 41.96 42.68 1zzf s TYR 28 CO 0.10 -0.58 0.85 1.15 -1.52 0.00 0.00 175.55 175.55 1zzf h THR 29 N 2.13 1.18 -2.19 -3.49 2.02 -1.77 -3.48 112.91 107.32 1zzf h THR 29 Ca -0.24 -2.60 0.14 0.00 0.77 0.00 0.00 66.41 64.48 1zzf h THR 29 Cb 1.24 2.96 -0.14 0.00 -1.74 0.00 0.00 68.15 70.46 1zzf h THR 29 CO 0.33 0.81 0.53 0.00 0.37 0.00 0.00 175.52 177.56 1zzf s ALA 30 N -2.56 -1.83 -0.05 6.16 0.00 -1.25 -5.04 121.76 117.18 1zzf s ALA 30 Ca -0.13 0.91 0.03 0.00 0.00 0.00 0.00 51.96 52.77 1zzf s ALA 30 Cb 0.04 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.57 1zzf s ALA 30 CO 0.89 -0.75 -0.12 0.08 0.00 0.00 0.00 175.76 175.86 1zzf s VAL 31 N -3.06 1.09 0.82 0.00 1.01 -1.26 -3.10 120.40 115.90 1zzf s VAL 31 Ca 0.07 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 1zzf s VAL 31 Cb -0.01 -0.99 0.15 0.00 0.00 0.00 0.00 36.38 35.54 1zzf s VAL 31 CO -0.07 0.34 1.13 -0.44 0.00 0.00 0.00 175.10 176.06 1zzf s SER 32 N 0.48 3.87 0.17 3.32 0.01 -0.81 -5.04 113.70 115.70 1zzf s SER 32 Ca -0.10 -0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1zzf s SER 32 Cb -0.14 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.90 1zzf s SER 32 CO 0.03 -2.20 0.00 -1.54 0.41 0.00 0.00 173.24 169.93 1zzf n SER 33 N -3.22 -0.08 -4.57 2.44 3.41 -1.26 -4.61 113.62 105.74 1zzf n SER 33 Ca 0.15 -0.13 -0.34 0.00 -0.26 0.00 0.00 58.87 58.29 1zzf n SER 33 Cb 0.60 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.44 1zzf n SER 33 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1zzf s THR 34 N -0.17 4.19 0.12 6.66 2.01 -1.26 -4.25 115.64 122.94 1zzf s THR 34 Ca 0.00 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.75 1zzf s THR 34 Cb 0.00 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 1zzf s THR 34 CO 0.00 0.51 -0.02 -1.66 -0.69 0.00 0.00 174.62 172.76 1zzf s TRP 35 N 0.11 0.96 0.11 4.92 1.48 -0.55 -4.85 118.94 121.11 1zzf s TRP 35 Ca 0.01 -1.02 -0.05 0.00 -1.06 0.00 0.00 56.10 53.99 1zzf s TRP 35 Cb -0.13 -0.56 -0.02 0.00 -1.16 0.00 0.00 33.47 31.60 1zzf s TRP 35 CO 0.02 -0.25 0.12 -3.38 -4.06 0.00 0.00 176.95 169.40 1zzf s HIS 36 N -3.73 0.49 0.60 1.66 -3.43 -1.26 0.98 115.29 110.59 1zzf s HIS 36 Ca 0.17 -0.92 -0.18 0.00 -0.80 0.00 0.00 55.06 53.33 1zzf s HIS 36 Cb 0.06 -0.25 -0.03 0.00 -1.43 0.00 0.00 32.58 30.93 1zzf s HIS 36 CO -0.01 -0.54 1.17 -1.58 -2.00 0.00 0.00 174.74 171.78 1zzf s TRP 37 N -3.95 2.47 0.07 0.38 0.23 -1.26 -5.04 118.94 111.84 1zzf s TRP 37 Ca 0.13 1.54 0.04 0.00 -2.03 0.00 0.00 56.10 55.78 1zzf s TRP 37 Cb 0.06 -3.38 -0.03 0.00 0.03 0.00 0.00 33.47 30.15 1zzf s TRP 37 CO -0.05 -1.99 -0.11 -0.08 0.96 0.00 0.00 176.95 175.68 1zzf s THR 38 N -1.77 0.89 0.00 2.01 -1.32 -1.26 -4.71 115.64 109.48 1zzf s THR 38 Ca 0.74 -1.31 0.00 0.00 -1.21 0.00 0.00 61.69 59.91 1zzf s THR 38 Cb -0.27 -0.99 0.00 0.00 -1.51 0.00 0.00 72.50 69.73 1zzf s THR 38 CO 0.33 -0.35 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 1zzf n GLY 39 N 1.17 -1.86 3.50 6.08 0.00 -1.26 -5.07 105.19 107.75 1zzf n GLY 39 Ca -0.21 0.55 -0.15 0.00 0.00 0.00 0.00 46.02 46.21 1zzf n GLY 39 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1zzf s HIS 40 N -0.00 1.08 -1.37 1.61 -3.43 -1.26 -4.89 115.29 107.04 1zzf s HIS 40 Ca 0.00 -1.32 0.00 0.00 -0.80 0.00 0.00 55.06 52.94 1zzf s HIS 40 Cb 0.00 -0.07 0.00 0.00 -1.43 0.00 0.00 32.58 31.08 1zzf s HIS 40 CO 0.00 -1.17 0.00 -1.71 -2.00 0.00 0.00 174.74 169.86 1zzf n ASN 41 N -1.50 -4.10 -2.90 7.38 5.15 -1.26 -3.69 115.26 114.34 1zzf n ASN 41 Ca 0.01 0.24 -0.00 0.00 -0.60 0.00 0.00 54.58 54.23 1zzf n ASN 41 Cb 0.61 -3.60 -0.00 0.00 -0.53 0.00 0.00 39.78 36.25 1zzf n ASN 41 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1zzf n VAL 42 N -2.80 -7.84 -3.77 3.44 0.31 -1.26 -4.95 118.33 101.46 1zzf n VAL 42 Ca -0.16 1.34 -0.37 0.00 -0.01 0.00 0.00 64.34 65.14 1zzf n VAL 42 Cb 0.56 -5.22 -0.12 0.00 -0.91 0.00 0.00 33.84 28.15 1zzf n VAL 42 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1zzf s LYS 43 N -1.23 2.28 0.00 5.55 2.20 -1.24 -4.86 119.74 122.43 1zzf s LYS 43 Ca -0.02 -1.57 0.00 0.00 -0.36 0.00 0.00 55.97 54.02 1zzf s LYS 43 Cb 0.00 -3.52 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 1zzf s LYS 43 CO 0.46 -0.91 0.69 -2.39 -0.36 0.00 0.00 175.35 172.83 1zzf n HIS 44 N 4.69 0.00 0.05 4.03 1.44 -1.26 -4.61 115.22 119.56 1zzf n HIS 44 Ca -0.07 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.53 1zzf n HIS 44 Cb 0.42 -0.01 0.01 0.00 0.12 0.00 0.00 29.99 30.53 1zzf n HIS 44 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1zzf h LYS 45 N 0.00 0.41 -7.35 -1.40 1.57 -1.94 -3.45 116.57 104.41 1zzf h LYS 45 Ca 0.00 -0.36 -0.50 0.00 -1.87 0.00 0.00 60.65 57.92 1zzf h LYS 45 Cb 1.16 0.08 0.12 0.00 0.08 0.00 0.00 32.23 33.67 1zzf h LYS 45 CO 0.00 1.00 0.32 -1.12 -0.57 0.00 0.00 179.45 179.08 1zzf s SER 46 N -6.99 4.49 -0.13 0.86 0.01 -1.26 -4.42 113.70 106.25 1zzf s SER 46 Ca -0.06 1.56 -0.10 0.00 1.31 0.00 0.00 55.95 58.66 1zzf s SER 46 Cb 0.10 -2.31 0.04 0.00 0.21 0.00 0.00 66.02 64.06 1zzf s SER 46 CO 0.85 -2.01 0.34 0.00 0.41 0.00 0.00 173.24 172.83 1zzf s ALA 47 N -3.01 -0.83 0.16 1.44 0.00 -1.08 -4.56 121.76 113.87 1zzf s ALA 47 Ca 0.61 1.05 0.05 0.00 0.00 0.00 0.00 51.96 53.67 1zzf s ALA 47 Cb -0.16 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 1zzf s ALA 47 CO 0.55 -0.18 -0.12 0.42 0.00 0.00 0.00 175.76 176.44 1zzf s ILE 48 N 0.51 1.32 -0.05 0.00 1.01 0.28 -2.85 121.20 121.41 1zzf s ILE 48 Ca -0.03 -2.04 0.01 0.00 0.00 0.00 0.00 60.65 58.59 1zzf s ILE 48 Cb -0.04 -1.83 0.02 0.00 0.01 0.00 0.00 42.46 40.62 1zzf s ILE 48 CO -0.03 -0.66 -0.04 0.54 0.00 0.00 0.00 174.94 174.75 1zzf s VAL 49 N -3.05 0.52 -0.13 2.92 0.11 -1.06 -1.48 120.40 118.23 1zzf s VAL 49 Ca 0.17 -0.09 -0.21 0.00 -2.93 0.00 0.00 61.98 58.91 1zzf s VAL 49 Cb 0.01 -0.56 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 1zzf s VAL 49 CO 0.02 0.23 0.62 -0.89 -3.33 0.00 0.00 175.10 171.75 1zzf s THR 50 N 1.06 5.07 -0.04 5.04 2.01 -1.26 -3.13 115.64 124.39 1zzf s THR 50 Ca -0.09 1.23 0.07 0.00 0.31 0.00 0.00 61.69 63.21 1zzf s THR 50 Cb -0.14 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 1zzf s THR 50 CO -0.01 0.21 -0.25 -0.22 -0.69 0.00 0.00 174.62 173.66 1zzf s LEU 51 N 1.20 2.05 0.12 4.42 1.98 -1.03 -1.93 118.68 125.50 1zzf s LEU 51 Ca 0.31 -0.48 0.10 0.00 -2.89 0.00 0.00 54.13 51.17 1zzf s LEU 51 Cb -0.16 -1.33 -0.04 0.00 0.66 0.00 0.00 46.19 45.31 1zzf s LEU 51 CO 0.13 0.28 -0.22 0.42 -1.89 0.00 0.00 176.35 175.07 1zzf s THR 52 N -0.39 2.59 0.16 3.68 -4.23 -1.18 -1.21 115.64 115.06 1zzf s THR 52 Ca 0.03 -1.62 0.11 0.00 -1.18 0.00 0.00 61.69 59.04 1zzf s THR 52 Cb -0.12 -2.17 -0.04 0.00 1.34 0.00 0.00 72.50 71.51 1zzf s THR 52 CO 0.01 0.10 -0.25 -0.31 -0.54 0.00 0.00 174.62 173.62 1zzf s TYR 53 N -1.11 2.29 -0.56 3.99 1.51 -0.67 -2.18 117.35 120.64 1zzf s TYR 53 Ca 0.16 -0.37 0.24 0.00 -1.01 0.00 0.00 57.07 56.09 1zzf s TYR 53 Cb -0.10 -1.19 0.52 0.00 -0.11 0.00 0.00 41.96 41.08 1zzf s TYR 53 CO 0.08 0.42 1.67 0.22 -1.11 0.00 0.00 175.55 176.83 1zzf h ASP 54 N 3.54 0.00 -4.74 2.29 1.82 -1.92 -3.38 116.42 114.04 1zzf h ASP 54 Ca -0.49 -0.00 0.08 0.00 -0.39 0.00 0.00 57.03 56.24 1zzf h ASP 54 Cb 1.19 0.00 -0.14 0.00 0.68 0.00 0.00 39.33 41.06 1zzf h ASP 54 CO 0.43 0.00 0.43 -0.44 -1.61 0.00 0.00 179.24 178.06 1zzf s SER 55 N -5.53 -0.40 0.57 2.28 0.01 -1.26 -5.00 113.70 104.36 1zzf s SER 55 Ca 0.08 -0.01 0.26 0.00 1.31 0.00 0.00 55.95 57.59 1zzf s SER 55 Cb 0.08 0.44 1.63 0.00 0.21 0.00 0.00 66.02 68.37 1zzf s SER 55 CO 0.64 -0.71 2.19 -0.08 0.41 0.00 0.00 173.24 175.69 1zzf h GLU 56 N 2.00 0.00 -0.36 12.44 4.81 -1.98 -2.07 114.58 129.43 1zzf h GLU 56 Ca -0.25 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.93 1zzf h GLU 56 Cb 1.26 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1zzf h GLU 56 CO 0.32 0.00 0.02 2.35 -0.73 0.00 0.00 179.01 180.97 1zzf h TRP 57 N 0.00 0.67 -0.71 0.92 2.91 -2.00 -1.88 115.95 115.86 1zzf h TRP 57 Ca 0.03 -0.11 -0.07 0.00 1.13 0.00 0.00 58.89 59.86 1zzf h TRP 57 Cb 0.14 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 28.58 1zzf h TRP 57 CO 0.00 0.71 0.16 0.37 -1.03 0.00 0.00 178.44 178.65 1zzf h GLN 58 N 0.44 1.15 -0.45 2.65 4.15 -1.78 -2.48 115.11 118.79 1zzf h GLN 58 Ca 0.10 -0.28 -0.03 0.00 0.77 0.00 0.00 58.65 59.21 1zzf h GLN 58 Cb 0.43 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 1zzf h GLN 58 CO 0.02 1.01 0.16 -0.09 -1.93 0.00 0.00 178.83 178.00 1zzf h ARG 59 N 1.08 0.68 -0.56 1.69 2.43 -1.39 -1.05 114.38 117.27 1zzf h ARG 59 Ca 0.22 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1zzf h ARG 59 Cb 0.39 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1zzf h ARG 59 CO 0.00 0.64 0.37 -0.44 -1.51 0.00 0.00 179.97 179.04 1zzf h ASP 60 N 0.59 0.64 -0.43 -3.80 3.32 -1.17 -1.82 116.42 113.75 1zzf h ASP 60 Ca 0.15 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.12 1zzf h ASP 60 Cb 0.22 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1zzf h ASP 60 CO -0.01 0.46 0.03 1.56 -1.72 0.00 0.00 179.24 179.56 1zzf h GLN 61 N 0.76 0.74 -0.22 3.56 4.20 -1.28 -2.51 115.11 120.36 1zzf h GLN 61 Ca 0.20 -0.22 0.05 0.00 0.06 0.00 0.00 58.65 58.74 1zzf h GLN 61 Cb -0.09 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1zzf h GLN 61 CO -0.04 0.80 0.15 0.35 -0.67 0.00 0.00 178.83 179.42 1zzf h PHE 62 N 0.58 0.07 -0.65 2.96 3.04 -0.84 0.25 116.94 122.35 1zzf h PHE 62 Ca 0.12 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.99 1zzf h PHE 62 Cb 0.45 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.91 1zzf h PHE 62 CO 0.03 0.04 0.06 -0.07 -2.02 0.00 0.00 178.31 176.35 1zzf h LEU 63 N 0.07 1.07 -3.28 0.59 4.07 -0.88 -2.63 115.31 114.31 1zzf h LEU 63 Ca 0.10 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.78 1zzf h LEU 63 Cb 0.32 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1zzf h LEU 63 CO -0.01 1.08 0.00 -1.20 -1.08 0.00 0.00 178.44 177.23 1zzf n SER 64 N -4.20 4.58 -0.04 -0.43 7.64 -0.45 -4.48 113.62 116.24 1zzf n SER 64 Ca 0.04 -2.74 -0.05 0.00 1.01 0.00 0.00 58.87 57.13 1zzf n SER 64 Cb 0.32 -0.56 -0.04 0.00 -1.01 0.00 0.00 64.21 62.92 1zzf n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1zzf n GLN 65 N 0.37 0.56 -3.85 1.43 6.02 0.75 -5.01 117.38 117.65 1zzf n GLN 65 Ca 0.23 0.04 -0.36 0.00 -0.01 0.00 0.00 57.00 56.90 1zzf n GLN 65 Cb 0.94 -1.16 -0.06 0.00 1.02 0.00 0.00 30.24 30.97 1zzf n GLN 65 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1zzf s VAL 66 N -2.16 5.44 -0.06 5.09 -7.23 -1.01 -5.05 120.40 115.41 1zzf s VAL 66 Ca -0.10 0.19 -0.12 0.00 -1.81 0.00 0.00 61.98 60.13 1zzf s VAL 66 Cb 0.03 -3.46 -0.05 0.00 0.56 0.00 0.00 36.38 33.46 1zzf s VAL 66 CO 0.20 0.54 0.30 -1.59 -0.31 0.00 0.00 175.10 174.25 1zzf s LYS 67 N -1.26 3.82 -0.06 4.82 -2.85 -1.26 -4.90 119.74 118.06 1zzf s LYS 67 Ca 0.19 0.19 0.04 0.00 -1.00 0.00 0.00 55.97 55.39 1zzf s LYS 67 Cb -0.13 -3.25 -0.00 0.00 -2.06 0.00 0.00 37.83 32.40 1zzf s LYS 67 CO 0.08 0.64 -0.18 0.42 0.10 0.00 0.00 175.35 176.42 1zzf s ILE 68 N -0.80 1.53 1.13 3.79 1.01 -1.26 -5.13 121.20 121.46 1zzf s ILE 68 Ca 0.20 -0.75 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 1zzf s ILE 68 Cb -0.15 -1.32 0.25 0.00 0.01 0.00 0.00 42.46 41.25 1zzf s ILE 68 CO 0.09 0.44 1.14 -2.16 0.00 0.00 0.00 174.94 174.45 1zzf s PRO 69 N 0.17 -0.61 0.00 2.79 0.04 -1.26 -4.92 135.00 131.21 1zzf s PRO 69 Ca -0.08 -0.04 0.30 0.00 0.04 0.00 0.00 61.00 61.23 1zzf s PRO 69 Cb -0.13 -1.66 1.69 0.00 0.04 0.00 0.00 34.50 34.43 1zzf s PRO 69 CO 0.04 -3.31 2.11 0.36 0.04 0.00 0.00 177.00 176.23 1zzf n LYS 70 N -4.48 0.71 -0.43 4.56 2.85 -1.26 -3.31 118.16 116.81 1zzf n LYS 70 Ca 0.12 0.00 0.06 0.00 -1.05 0.00 0.00 58.31 57.45 1zzf n LYS 70 Cb 0.59 -1.50 0.25 0.00 -0.65 0.00 0.00 35.03 33.72 1zzf n LYS 70 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1zzf n THR 71 N -1.13 1.26 -4.57 0.58 -2.24 -1.26 -4.87 114.28 102.04 1zzf n THR 71 Ca 0.19 -0.80 -0.21 0.00 -2.27 0.00 0.00 64.05 60.96 1zzf n THR 71 Cb 0.17 -0.01 -0.15 0.00 -2.10 0.00 0.00 70.33 68.23 1zzf n THR 71 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1zzf s ILE 72 N -1.76 1.00 -0.23 2.28 -1.09 -1.21 -3.89 121.20 116.30 1zzf s ILE 72 Ca 0.35 -0.54 -0.10 0.00 -2.23 0.00 0.00 60.65 58.13 1zzf s ILE 72 Cb 0.23 -0.83 -0.05 0.00 -1.58 0.00 0.00 42.46 40.22 1zzf s ILE 72 CO 0.17 0.28 0.15 -0.89 -1.23 0.00 0.00 174.94 173.41 1zzf s THR 73 N -0.29 5.33 -0.24 2.92 2.01 0.27 -4.91 115.64 120.74 1zzf s THR 73 Ca 0.05 0.17 -0.09 0.00 0.31 0.00 0.00 61.69 62.13 1zzf s THR 73 Cb -0.05 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 1zzf s THR 73 CO -0.00 0.38 0.11 -0.69 -0.69 0.00 0.00 174.62 173.72 1zzf s VAL 74 N 0.84 4.84 0.01 3.82 1.01 -1.26 -2.84 120.40 126.82 1zzf s VAL 74 Ca 0.07 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.10 1zzf s VAL 74 Cb -0.13 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 1zzf s VAL 74 CO 0.02 0.35 -0.15 -0.44 0.00 0.00 0.00 175.10 174.89 1zzf s SER 75 N 1.21 1.78 0.12 3.32 0.01 -1.08 -4.97 113.70 114.08 1zzf s SER 75 Ca 0.06 -0.35 0.05 0.00 1.31 0.00 0.00 55.95 57.03 1zzf s SER 75 Cb -0.14 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 1zzf s SER 75 CO 0.05 0.14 -0.13 0.28 0.41 0.00 0.00 173.24 173.98 1zzf s THR 76 N -0.53 1.26 0.03 1.44 -1.32 -1.26 -1.64 115.64 113.61 1zzf s THR 76 Ca 0.05 -1.69 -0.21 0.00 -1.21 0.00 0.00 61.69 58.62 1zzf s THR 76 Cb -0.07 -1.49 0.07 0.00 -1.51 0.00 0.00 72.50 69.50 1zzf s THR 76 CO 0.00 -0.44 0.98 0.61 -2.21 0.00 0.00 174.62 173.57 1zzf n GLY 77 N 0.55 0.41 3.04 6.08 0.00 -1.08 -5.03 105.19 109.17 1zzf n GLY 77 Ca -0.16 -1.03 -0.21 0.00 0.00 0.00 0.00 46.02 44.62 1zzf n GLY 77 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1zzf s PHE 78 N -2.39 1.11 0.00 1.61 -0.71 -1.26 -2.39 117.98 113.95 1zzf s PHE 78 Ca 0.23 -0.27 0.05 0.00 -1.04 0.00 0.00 56.93 55.90 1zzf s PHE 78 Cb -0.01 -0.76 -0.03 0.00 -1.21 0.00 0.00 43.02 41.01 1zzf s PHE 78 CO 0.01 -0.09 -0.15 -1.64 -1.34 0.00 0.00 175.22 172.01 1zzf s MET 79 N 0.04 2.31 -0.31 1.99 -1.94 -1.17 -4.99 119.30 115.24 1zzf s MET 79 Ca -0.01 -0.83 -0.19 0.00 -1.71 0.00 0.00 55.69 52.95 1zzf s MET 79 Cb -0.08 -2.31 -0.01 0.00 2.01 0.00 0.00 34.83 34.44 1zzf s MET 79 CO 0.00 0.58 0.55 -1.12 -0.01 0.00 0.00 175.02 175.03 1zzf s SER 80 N -1.17 6.41 0.00 3.03 0.01 -1.26 -3.02 113.70 117.70 1zzf s SER 80 Ca 0.14 0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.67 1zzf s SER 80 Cb -0.11 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1zzf s SER 80 CO 0.04 -0.43 0.38 -0.38 0.41 0.00 0.00 173.24 173.26